Receptor
PDB id Resolution Class Description Source Keywords
4RW5 1.64 Å EC: 3.1.4.4 STRUCTURAL INSIGHTS INTO SUBSTRATE BINDING OF BROWN SPIDER V II PHOSPHOLIPASES D LOXOSCELES INTERMEDIA TIM-BARREL FOLD HYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO SUBSTRATE BINDING OF BROWN VENOM CLASS II PHOSPHOLIPASES D. CURR PROTEIN PEPT SCI V. 16 768 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:303;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
OCA A:305;
Valid;
none;
submit data
144.211 C8 H16 O2 CCCCC...
MG A:301;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
TDA A:304;
Valid;
none;
submit data
214.344 C13 H26 O2 CCCCC...
PLM A:302;
Valid;
none;
submit data
256.424 C16 H32 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RW3 1.72 Å EC: 3.1.4.4 STRUCTURAL INSIGHTS INTO SUBSTRATE BINDING OF BROWN SPIDER V II PHOSPHOLIPASES D LOXOSCELES INTERMEDIA TIM-BARREL FOLD HYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO SUBSTRATE BINDING OF BROWN VENOM CLASS II PHOSPHOLIPASES D. CURR PROTEIN PEPT SCI V. 16 768 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4RW5 - OCA C8 H16 O2 CCCCCCCC(=....
2 4RW3 - TDA C13 H26 O2 CCCCCCCCCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4RW5 - OCA C8 H16 O2 CCCCCCCC(=....
2 4RW3 - TDA C13 H26 O2 CCCCCCCCCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4RW5 - OCA C8 H16 O2 CCCCCCCC(=....
2 4RW3 - TDA C13 H26 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OCA; Similar ligands found: 45
No: Ligand ECFP6 Tc MDL keys Tc
1 OCA 1 1
2 F23 0.956522 1
3 STE 0.956522 1
4 KNA 0.956522 1
5 DAO 0.956522 1
6 TDA 0.956522 1
7 DCR 0.956522 1
8 11A 0.956522 1
9 DKA 0.956522 1
10 PLM 0.956522 1
11 F15 0.956522 1
12 MYR 0.956522 1
13 SHV 0.869565 0.952381
14 KTC 0.758621 0.875
15 6NA 0.75 0.904762
16 AZ1 0.695652 0.64
17 OLA 0.6875 0.954545
18 NER 0.6875 0.954545
19 ELA 0.6875 0.954545
20 PML 0.652174 0.6
21 VCA 0.636364 0.954545
22 PAM 0.636364 0.954545
23 LEA 0.625 0.809524
24 3LA 0.575758 0.8
25 MYZ 0.558824 0.909091
26 12H 0.551724 0.615385
27 ODD 0.540541 0.913043
28 BRC 0.533333 0.666667
29 14V 0.527778 0.740741
30 M12 0.515152 0.869565
31 14U 0.514286 0.703704
32 EOD 0.512821 0.7
33 EIC 0.512821 0.913043
34 BUA 0.5 0.666667
35 RCL 0.446809 0.84
36 5UF 0.444444 0.807692
37 56S 0.432432 0.653846
38 HXD 0.432432 0.807692
39 ODT 0.428571 0.782609
40 LNL 0.418605 0.826087
41 3X1 0.416667 0.818182
42 6UL 0.410256 0.68
43 CNS 0.410256 0.68
44 243 0.408163 0.807692
45 HOC 0.4 0.769231
Ligand no: 2; Ligand: TDA; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 F23 1 1
3 11A 1 1
4 STE 1 1
5 KNA 1 1
6 TDA 1 1
7 DCR 1 1
8 DAO 1 1
9 DKA 1 1
10 PLM 1 1
11 F15 1 1
12 OCA 0.956522 1
13 SHV 0.833333 0.952381
14 KTC 0.793103 0.875
15 AZ1 0.73913 0.64
16 6NA 0.72 0.904762
17 NER 0.71875 0.954545
18 OLA 0.71875 0.954545
19 ELA 0.71875 0.954545
20 VCA 0.666667 0.954545
21 PAM 0.666667 0.954545
22 PML 0.625 0.6
23 3LA 0.606061 0.8
24 LEA 0.6 0.809524
25 MYZ 0.588235 0.909091
26 12H 0.586207 0.615385
27 ODD 0.567568 0.913043
28 BRC 0.566667 0.666667
29 14V 0.555556 0.740741
30 M12 0.545455 0.869565
31 14U 0.542857 0.703704
32 EIC 0.538462 0.913043
33 EOD 0.538462 0.7
34 BUA 0.48 0.666667
35 RCL 0.468085 0.84
36 HXD 0.459459 0.807692
37 56S 0.459459 0.653846
38 ODT 0.452381 0.782609
39 3X1 0.444444 0.818182
40 LNL 0.44186 0.826087
41 CNS 0.435897 0.68
42 6UL 0.435897 0.68
43 5UF 0.432432 0.807692
44 243 0.428571 0.807692
45 GYM 0.418605 0.606061
46 PL3 0.413793 0.75
47 O8N 0.413793 0.75
48 1DO 0.413793 0.75
49 F09 0.413793 0.75
50 OC9 0.413793 0.75
51 DE1 0.413793 0.75
52 T25 0.403846 0.677419
Ligand no: 3; Ligand: PLM; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 F23 1 1
3 11A 1 1
4 STE 1 1
5 KNA 1 1
6 TDA 1 1
7 DCR 1 1
8 DAO 1 1
9 DKA 1 1
10 PLM 1 1
11 F15 1 1
12 OCA 0.956522 1
13 SHV 0.833333 0.952381
14 KTC 0.793103 0.875
15 AZ1 0.73913 0.64
16 6NA 0.72 0.904762
17 NER 0.71875 0.954545
18 OLA 0.71875 0.954545
19 ELA 0.71875 0.954545
20 VCA 0.666667 0.954545
21 PAM 0.666667 0.954545
22 PML 0.625 0.6
23 3LA 0.606061 0.8
24 LEA 0.6 0.809524
25 MYZ 0.588235 0.909091
26 12H 0.586207 0.615385
27 ODD 0.567568 0.913043
28 BRC 0.566667 0.666667
29 14V 0.555556 0.740741
30 M12 0.545455 0.869565
31 14U 0.542857 0.703704
32 EIC 0.538462 0.913043
33 EOD 0.538462 0.7
34 BUA 0.48 0.666667
35 RCL 0.468085 0.84
36 HXD 0.459459 0.807692
37 56S 0.459459 0.653846
38 ODT 0.452381 0.782609
39 3X1 0.444444 0.818182
40 LNL 0.44186 0.826087
41 CNS 0.435897 0.68
42 6UL 0.435897 0.68
43 5UF 0.432432 0.807692
44 243 0.428571 0.807692
45 GYM 0.418605 0.606061
46 PL3 0.413793 0.75
47 O8N 0.413793 0.75
48 1DO 0.413793 0.75
49 F09 0.413793 0.75
50 OC9 0.413793 0.75
51 DE1 0.413793 0.75
52 T25 0.403846 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RW3; Ligand: TDA; Similar sites found: 274
This union binding pocket(no: 1) in the query (biounit: 4rw3.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5MT9 ARG 0.01665 0.48354 None
2 1ECM TSA 0.00171 0.47682 None
3 5MT9 SRO 0.02065 0.47127 None
4 1UO4 PIH 0.003738 0.43561 None
5 1JHG TRP 0.01983 0.41185 None
6 5NTW 98N 0.02378 0.41006 None
7 5AEI LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.04158 0.40057 None
8 4NB5 2JT 0.0036 0.46805 0.662252
9 1P72 ADP 0.02439 0.41895 0.993378
10 5EP2 AZU 0.03251 0.40062 1.17188
11 4I4B 1CV 0.03763 0.41336 1.3245
12 4CA5 3EF 0.03286 0.41144 1.3245
13 1W73 NAP 0.03375 0.40424 1.3245
14 1JGS SAL 0.005043 0.40344 1.44928
15 4E5H 0N8 0.03302 0.402 1.60428
16 5K7K 6RJ 0.04752 0.40422 1.65563
17 4LH7 NMN 0.02514 0.40059 1.65563
18 3QKD HI0 0.02855 0.41961 1.65746
19 3RGA ILD 0.02561 0.42817 1.76678
20 5CSD ACD 0.01351 0.40638 1.88679
21 5EHR 5OD 0.0000408 0.44235 1.98676
22 1OS1 ATP 0.04269 0.42468 1.98676
23 1OS1 PYR 0.04447 0.42468 1.98676
24 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.008571 0.42199 1.98676
25 1M13 HYF 0.03006 0.41277 1.98676
26 3FPF TNA 0.03325 0.40038 2.01342
27 3FPF MTA 0.03325 0.40038 2.01342
28 5DRB 5FJ 0.01787 0.43634 2.06186
29 4TWP AXI 0.01255 0.44304 2.21402
30 2VZZ SCA 0.001371 0.48903 2.29358
31 1OPK MYR 0.005991 0.41896 2.31788
32 3EWC MCF 0.02731 0.40673 2.31788
33 2GQ2 NAP 0.00469 0.43639 2.32558
34 5JF2 SF7 0.002279 0.45087 2.45098
35 3SVJ 4LI 0.004319 0.42335 2.46305
36 1FCZ 156 0.03046 0.42279 2.55319
37 1QY8 RDI 0.0003978 0.49833 2.60223
38 1YYE 196 0.01726 0.41504 2.61194
39 2QV6 GTP 0.04098 0.41206 2.61194
40 5CUQ NSC 0.008052 0.45707 2.62172
41 5KOR GDP 0.00278 0.47368 2.64901
42 5JKG 6LF 0.01543 0.43678 2.64901
43 5GUE GGS 0.03169 0.42549 2.64901
44 5UR1 YY9 0.02979 0.42518 2.64901
45 3DST GRG 0.01299 0.42308 2.64901
46 2WYA HMG 0.02396 0.42233 2.64901
47 4H6Q TFB 0.03592 0.40962 2.64901
48 2PX6 DH9 0.01113 0.40859 2.64901
49 2BIF BOG 0.04986 0.40391 2.64901
50 1EE4 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.007869 0.40166 2.64901
51 4ZOM 4Q3 0.04157 0.46505 2.66667
52 4XCL AGS 0.000343 0.50764 2.7027
53 2OKL BB2 0.005615 0.42833 2.7027
54 3G5K BB2 0.0008848 0.47767 2.73224
55 3KV8 FAH 0.02754 0.41806 2.8777
56 3UP3 XCA 0.01436 0.44664 2.88066
57 4J24 EST 0.01312 0.43282 2.91667
58 4J26 EST 0.01841 0.4127 2.91667
59 2Q4V ACO 0.0473 0.41523 2.94118
60 2GFD RDA 0.000496 0.50693 2.9661
61 1A05 IPM 0.004675 0.436 2.98013
62 3ZQE DXC 0.007638 0.42786 2.98013
63 2VAP GDP 0.02905 0.42344 2.98013
64 5FPN KYD 0.006246 0.41669 2.98013
65 3V49 PK0 0.00507 0.43988 3.00752
66 2HW1 ANP 0.01492 0.41987 3.02013
67 3DBX PLM 0.01344 0.41899 3.0303
68 5IXK 6EW 0.04163 0.40916 3.07018
69 5BYK OAQ 0.04917 0.40836 3.0888
70 5BYK A3P 0.04917 0.40836 3.0888
71 4LSJ LSJ 0.002634 0.40223 3.10078
72 2AX9 BHM 0.00747 0.45228 3.125
73 3BQD DAY 0.02203 0.41678 3.13725
74 3HY9 098 0.00165 0.42903 3.16742
75 2C0U FAD NBT 0.009033 0.45564 3.18907
76 3OV6 MK0 0.0008539 0.46251 3.31126
77 5C9J STE 0.001399 0.44427 3.31126
78 1ZSQ PIB 0.002596 0.42453 3.31126
79 5XDT MB3 0.02444 0.42269 3.31126
80 5XDT GDP 0.01906 0.42269 3.31126
81 5L7G 6QE 0.01889 0.42219 3.31126
82 3G58 988 0.03855 0.40824 3.31126
83 4RHP PEF 0.01037 0.41074 3.40426
84 3DTU DXC 0.002556 0.40369 3.43511
85 5BYZ 4WE 0.0123 0.45403 3.64238
86 2R40 20E 0.03985 0.42923 3.64238
87 1BOB ACO 0.00861 0.42715 3.64238
88 2J07 HDF 0.03619 0.42226 3.64238
89 2J07 FAD 0.03619 0.42226 3.64238
90 1ZDT PEF 0.02997 0.41556 3.64238
91 2P8U COA 0.01667 0.41129 3.64238
92 1LQY BB2 0.005985 0.43351 3.80435
93 1XX4 BAM 0.03505 0.42527 3.83142
94 5DXG EST 0.01753 0.42172 3.83142
95 3LLI FAD 0.03041 0.41779 3.83142
96 5DX3 EST 0.0209 0.41149 3.83142
97 2ZPA ACO 0.001532 0.49351 3.97351
98 2EW5 Y12 0.007267 0.44332 3.97351
99 4U0I 0LI 0.01717 0.43716 3.97351
100 2J4D FAD 0.0328 0.41136 3.97351
101 4I6G FAD 0.04646 0.41001 3.97351
102 2UUU PL3 0.03999 0.40863 3.97351
103 2UUU FAD 0.03999 0.40863 3.97351
104 2CB3 MLD 0.002542 0.443 4
105 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 0.01924 0.4668 4.0293
106 5DEY 59T 0.03088 0.41908 4.0404
107 1YRE COA 0.01175 0.42528 4.06091
108 3AQT RCO 0.006265 0.42338 4.08163
109 4DR9 BB2 0.002757 0.4467 4.16667
110 1Q1Y BB2 0.001601 0.47165 4.18848
111 4DW4 U5P 0.01346 0.40433 4.19162
112 2WCJ M21 0.02951 0.41726 4.25532
113 2QA8 GEN 0.01379 0.43319 4.26357
114 2QZO KN1 0.02215 0.41517 4.26357
115 4INW 1EY 0.02664 0.41535 4.28571
116 2C29 NAP 0.03244 0.43147 4.30464
117 2C29 DQH 0.03244 0.43147 4.30464
118 5VZ0 2BA 0.009827 0.42822 4.30464
119 2WPX ACO 0.02426 0.42608 4.30464
120 4TV1 36M 0.009986 0.4198 4.38247
121 5UC9 MYR 0.001554 0.44571 4.42478
122 1N8V BDD 0.005264 0.41812 4.46429
123 2QZT PLM 0.01031 0.46037 4.5045
124 2FV5 541 0.002036 0.46804 4.5977
125 5TO8 7FM 0.04707 0.41411 4.60993
126 5MW4 5JU 0.01161 0.42137 4.63576
127 4ZBR DIF 0.02309 0.41626 4.63576
128 4ZBR NPS 0.0222 0.41626 4.63576
129 4Q6R 30J 0.003858 0.40696 4.63576
130 4H2F ADN 0.0426 0.40488 4.63576
131 4UA3 COA 0.02156 0.40476 4.63576
132 3A51 VDY 0.04054 0.40236 4.63576
133 3SXF BK5 0.04289 0.40236 4.63576
134 4IBF 1D5 0.00713 0.43974 4.65116
135 5OCA 9QZ 0.0001358 0.47522 4.7619
136 1BC5 ACE ASN TRP GLU THR PHE 0.0008141 0.42333 4.83271
137 1U3D FAD 0.02555 0.41742 4.91159
138 2ZKJ ADP 0.01276 0.44629 4.96689
139 3VHE 42Q 0.01563 0.44177 5.01393
140 5N69 2OW 0.01674 0.44114 5.02513
141 4F4P 0SB 0.006825 0.44892 5.12821
142 2PX8 MGT 0.03364 0.40484 5.20446
143 3EKK GS2 0.002134 0.44476 5.29801
144 3LDW ZOL 0.0052 0.42557 5.29801
145 3LDW IPE 0.004947 0.42557 5.29801
146 4PJT 2YQ 0.04373 0.41528 5.29801
147 4R29 SAM 0.006843 0.40814 5.35714
148 5LJ0 6XX 0.02127 0.42988 5.38462
149 3SQP 3J8 0.01423 0.41218 5.62914
150 2BP1 FLC 0.01758 0.40017 5.62914
151 2GTE VA 0.02145 0.41594 5.64516
152 2EVL GAL SPH EIC 0.008597 0.4548 5.74163
153 4YSX E23 0.02645 0.40946 5.85106
154 5F1R 42O 0.006217 0.46576 5.90717
155 5V3Y 5V8 0.02953 0.40505 5.94406
156 1ZPD CIT 0.00648 0.42869 5.96026
157 5AG3 3EB 0.02883 0.4116 5.96026
158 4AVB ACO 0.0152 0.40034 5.96026
159 5I8F ML1 0.03029 0.40284 6.06061
160 4B7P 9UN 0.001464 0.48819 6.08696
161 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 0.02843 0.4247 6.13718
162 5U98 1KX 0.04206 0.40232 6.13718
163 1FBY REA 0.01928 0.41646 6.27615
164 1P0H COA 0.01081 0.45003 6.29139
165 1P0H ACO 0.01104 0.45003 6.29139
166 4ASE AV9 0.01267 0.44543 6.29139
167 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 0.02015 0.43284 6.31579
168 2F59 INI 0.0154 0.42054 6.36943
169 3WUR O4B 0.0003897 0.45492 6.43275
170 1DKF OLA 0.01979 0.42479 6.43777
171 4M8E 29V 0.01253 0.44822 6.49351
172 4POJ 2VP 0.01391 0.44274 6.49351
173 4V3I ASP LEU THR ARG PRO 0.008471 0.41731 6.61479
174 2RH1 CLR 0.001123 0.44769 6.62252
175 1HBK MYR 0.004975 0.40683 6.74157
176 4WRI OKA 0.0308 0.40657 6.77083
177 4HIA FMN 0.01632 0.44971 6.81818
178 2J8C SPO 0.04395 0.42218 6.84039
179 2J8C U10 0.04395 0.42218 6.84039
180 2P1C GG3 0.001105 0.4867 6.95364
181 3RDE OYP 0.03678 0.42418 6.95364
182 2HFK E4H 0.01713 0.42317 6.95364
183 1XMY ROL 0.03659 0.40406 6.95364
184 1XM4 PIL 0.04429 0.40397 6.95364
185 1XMU ROF 0.04856 0.40261 6.95364
186 4U82 FPS 0.0008285 0.41227 7.03125
187 3E3U NVC 0.003374 0.44079 7.1066
188 3L9R L9R 0.03679 0.42495 7.14286
189 3DCT 064 0.01358 0.41745 7.23404
190 3IIS PID 0.02844 0.45523 7.28477
191 3SHZ 5CO 0.0304 0.40902 7.28477
192 2O1V ADP 0.02765 0.40626 7.28477
193 3N7S 3N7 0.0002843 0.47787 7.29167
194 4XPL ACO 0.004118 0.43226 7.36196
195 4ZGM 32M 0.02243 0.40335 7.37705
196 3RUU 37G 0.02731 0.41553 7.42358
197 3F8K COA 0.004408 0.45664 7.5
198 2CNT COA 0.02401 0.40614 7.5
199 3KMZ EQO 0.03109 0.41231 7.5188
200 5DQY BEZ 0.001811 0.45767 7.61905
201 3E7O 35F 0.006861 0.42797 7.77778
202 5IJJ I6P 0.005888 0.44699 7.8125
203 1XAP TTB 0.02927 0.41667 7.86517
204 1RDT L79 0.01446 0.43973 8
205 3BEJ MUF 0.02503 0.43852 8
206 1NRL SRL 0.0237 0.42678 8
207 4DM8 REA 0.04115 0.41219 8
208 1FM9 9CR 0.03426 0.4035 8
209 1EE0 CAA 0.008167 0.45936 8.27815
210 4XDA ADP 0.00412 0.42074 8.27815
211 4XDA RIB 0.00412 0.42074 8.27815
212 5GIC DLC 0.03675 0.40069 8.4
213 4ELG 52J 0.04672 0.41825 8.43373
214 3T6E UQ9 0.003421 0.45938 8.52713
215 1YMT DR9 0.03131 0.41288 8.53659
216 1WOR RED 0.0291 0.41721 8.60927
217 2OFV 242 0.03553 0.42548 8.66426
218 1VR0 3SL 0.04088 0.40209 8.90688
219 2WR1 NAG 0.0007568 0.4302 8.9404
220 4GU5 FAD 0.04382 0.42449 8.9404
221 3FAL LO2 0.04691 0.42374 9.02256
222 3FAL REA 0.01402 0.41239 9.02256
223 2VSS ACO 0.001058 0.44276 9.05797
224 1YC4 43P 0.0002523 0.49784 9.09091
225 2VSU ACO 0.0008779 0.45029 9.09091
226 4M4Q 21A 0.03879 0.43775 9.27152
227 1F9P ESA ESA ESA 0.0002606 0.42584 9.41177
228 5SYN 71T 0.01887 0.40817 9.52381
229 3BJC WAN 0.01911 0.40991 9.60265
230 2HFN FMN 0.0364 0.4095 9.60265
231 2BHW LUX 0.0002056 0.51183 9.91379
232 2AMV BIN 0.01778 0.4547 9.93377
233 4B5P ACO 0.004787 0.46417 10
234 1TIQ COA 0.003765 0.44661 10
235 3FON VAL ASN ASP ILE PHE GLU ALA ILE 0.02482 0.41967 10
236 3D78 NBB 0.01965 0.43767 10.084
237 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.04999 0.40509 10.101
238 1LRI CLR 0.002135 0.41166 10.2041
239 5KLP IHP 0.01055 0.42505 10.596
240 2XCM ADP 0.0005187 0.48941 10.8108
241 5CX8 TG6 0.001094 0.47403 10.9272
242 1UVC STE 0.01792 0.42087 10.989
243 5LXT 7AK 0.01899 0.49387 11.2583
244 5LXT GDP 0.01957 0.49387 11.2583
245 5FH7 5XL 0.01252 0.42713 11.2903
246 1CMC SAM 0.01549 0.40237 11.5385
247 2Y69 CHD 0.003608 0.43406 11.6279
248 3GFZ FMN 0.004543 0.44454 11.9205
249 2Q1H AS4 0.004408 0.40101 12
250 2AIB ERG 0.001991 0.40741 12.2449
251 3NT6 COA 0.04508 0.40563 12.2517
252 4EHQ GBL 0.009045 0.40137 12.8378
253 3Q8G PEE 0.04662 0.42512 13.245
254 3ET1 ET1 0.03829 0.4021 13.4021
255 3AI3 SOE 0.002992 0.4133 13.6882
256 5X80 SAL 0.01258 0.41655 13.75
257 3GKJ HC3 0.02159 0.43217 14.2241
258 4URN NOV 0.005861 0.43635 14.6667
259 2VWA PTY 0.0007026 0.43114 14.8515
260 5C2H 4PX 0.04956 0.40353 14.9007
261 5W97 CHD 0.00357 0.44357 15.2542
262 2DYS PGV 0.01504 0.41054 15.2542
263 2DYR PGV 0.01537 0.40636 15.2542
264 2DYS PSC 0.03891 0.40155 15.2542
265 5BV6 35G 0.02421 0.42377 15.7895
266 5N1X 8HH 0.00000003448 0.47483 16.1017
267 1QV1 CZH 0.00366 0.48423 16.9231
268 1UCD URA 0.0214 0.40387 17.3684
269 1UCD U5P 0.01178 0.40387 17.3684
270 1JF0 CZH 0.002886 0.48612 18.4615
271 3B6C SDN 0.0003357 0.42049 18.8034
272 1U1B PAX 0.01514 0.43795 21.7742
273 4R38 RBF 0.04916 0.40116 25
274 5K53 STE 0.01127 0.4186 27.4809
Pocket No.: 2; Query (leader) PDB : 4RW3; Ligand: PLM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4rw3.bio1) has 2 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4RW3; Ligand: PLM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4rw3.bio1) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4RW3; Ligand: OCA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4rw3.bio1) has 2 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4RW3; Ligand: SHV; Similar sites found: 174
This union binding pocket(no: 5) in the query (biounit: 4rw3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3E85 BSU 0.01567 0.45334 None
2 4MKF AP5 0.0003959 0.54896 1.38249
3 1EWF PC1 0.01385 0.45909 1.65563
4 1X6V ADP 0.04365 0.40303 1.65563
5 3QKD HI0 0.01604 0.44692 1.65746
6 4EHU ANP 0.004929 0.4555 1.81159
7 5FPE 3TR 0.001522 0.45395 1.98676
8 3H78 BE2 0.02354 0.42572 1.98676
9 4KWD JF2 0.02821 0.41654 1.98676
10 3SP6 IL2 0.009696 0.42927 2.10526
11 5H3A D16 0.02517 0.41445 2.12014
12 2VZZ SCA 0.03632 0.41246 2.29358
13 4LY9 S6P 0.04227 0.43131 2.31788
14 4LY9 1YY 0.04445 0.43131 2.31788
15 4OYA 1VE 0.04549 0.41131 2.31788
16 1YUC EPH 0.04932 0.41524 2.35294
17 1M7G AV2 0.033 0.41918 2.36967
18 3L0E G58 0.01044 0.45021 2.37154
19 3KFC 61X 0.0243 0.4212 2.37154
20 3T03 3T0 0.01972 0.40933 2.46479
21 1FCZ 156 0.01857 0.41587 2.55319
22 5TWO 7MV 0.01519 0.41195 2.57353
23 2P54 735 0.02553 0.40512 2.62172
24 5AR0 GB8 0.001494 0.47434 2.64901
25 3DST GRG 0.01876 0.46042 2.64901
26 3ZEU ADP 0.004642 0.45896 2.64901
27 3ZEU AGS 0.005331 0.45896 2.64901
28 5GUE GGS 0.01158 0.44306 2.64901
29 1DMH LIO 0.03143 0.44131 2.64901
30 2BIF ANP 0.01839 0.43748 2.64901
31 2BIF SIN 0.02521 0.43748 2.64901
32 2BUP ATP 0.004588 0.43678 2.64901
33 2BUP ADP 0.004588 0.43678 2.64901
34 5EE7 5MV 0.01193 0.41468 2.64901
35 5IKH 6BW 0.02683 0.41273 2.64901
36 1EBL COA 0.03788 0.40926 2.64901
37 1I00 UMP 0.03942 0.41251 2.75862
38 1I00 D16 0.03942 0.41251 2.75862
39 3TMK T5A 0.01365 0.42384 2.77778
40 3CGD NAD 0.01772 0.4433 2.98013
41 3CGD FAD 0.01772 0.4433 2.98013
42 3CGD COA 0.01772 0.4433 2.98013
43 4M52 M52 0.01815 0.43493 2.98013
44 5V49 8WA 0.02929 0.43334 2.98013
45 3NRR UMP 0.0249 0.43072 2.98013
46 4O6M C5P 0.006581 0.43022 2.98013
47 2V7Y ADP 0.003465 0.42881 2.98013
48 2AOT SAH 0.009537 0.41001 3.08219
49 5LOF 70R 0.03515 0.43197 3.0888
50 1M2Z BOG 0.001664 0.44765 3.11284
51 1IHU AF3 0.0246 0.40528 3.22581
52 1IHU ADP 0.02606 0.40528 3.22581
53 4JNE ATP 0.006768 0.43345 3.31126
54 5F1X ATP 0.009886 0.41479 3.31126
55 4EIL FOL 0.03385 0.40751 3.31126
56 5XDT ZI7 0.03038 0.40155 3.31126
57 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.021 0.417 3.34728
58 4GFD 0YB 0.008781 0.43966 3.41463
59 1JR8 FAD 0.002928 0.45078 3.4188
60 2DSA HPX 0.03746 0.41122 3.44828
61 2DSA GSH 0.03933 0.41122 3.44828
62 1XVB BHL BHL 0.004311 0.41812 3.52941
63 5G41 AP5 0.000378 0.55994 3.58744
64 4QVX 3CQ 0.01429 0.44355 3.59281
65 3QFU ADP 0.002206 0.45068 3.64238
66 5HR5 ADP 0.01057 0.4308 3.64238
67 4B1W ATP 0.02241 0.41717 3.64238
68 3MN5 ATP 0.0223 0.41447 3.64238
69 4B1Y ATP 0.02366 0.41269 3.64238
70 2V52 ATP 0.02492 0.41111 3.64238
71 2XN5 FUN 0.0238 0.40772 3.64238
72 4PKI ATP 0.03118 0.40073 3.64238
73 1LNX URI 0.01454 0.42107 3.7037
74 3IA4 MTX 0.02806 0.41342 3.7037
75 1F5N GNP 0.004657 0.47561 3.97351
76 5CJH 522 0.008753 0.45207 3.97351
77 5LJW ANP 0.005015 0.41615 3.97351
78 4I6G FAD 0.04172 0.41469 3.97351
79 3LN0 52B 0.04816 0.41345 3.97351
80 2HJ3 FAD 0.002693 0.45175 4
81 5LGA 6VH 0.01984 0.43198 4
82 5E7V M7E 0.03513 0.40481 4
83 3HF6 LX0 0.04282 0.41943 4.13793
84 2QZO KN1 0.01611 0.43244 4.26357
85 1KDO C 0.001083 0.48591 4.30464
86 2WPW ACO 0.04587 0.40966 4.30464
87 2HHP FLC 0.005073 0.40823 4.30464
88 2ALG DAO 0.003538 0.41261 4.34783
89 3AB4 LYS 0.004316 0.41173 4.49438
90 4OKS 2T9 0.003544 0.45802 4.63576
91 4DP3 MMV 0.04358 0.4306 4.63576
92 4DP3 NDP 0.04358 0.4306 4.63576
93 4IA6 EIC 0.0172 0.40726 4.63576
94 1U3G THF 0.02524 0.41569 4.7619
95 1OQC FAD 0.00225 0.46244 4.8
96 4BUZ OAD 0.0386 0.42106 4.87805
97 1MZC FPP 0.008314 0.48008 4.96689
98 1MZC BNE 0.008314 0.48008 4.96689
99 1NHX FTB 0.03831 0.42332 4.96689
100 2GMV UN8 0.02495 0.41902 4.96689
101 1HSK FAD 0.04693 0.41738 4.96689
102 3KFL ME8 0.02542 0.41125 4.96689
103 4KCF AKM 0.03199 0.40564 4.96689
104 4YDU ADP 0.004038 0.46189 5.06329
105 2VBU CDP 0.03164 0.40243 5.14706
106 3GYT DL4 0.03535 0.40542 5.32787
107 2FF6 ATP 0.02757 0.40119 5.33333
108 4R6W PC 0.01963 0.45394 5.42636
109 2Q97 ATP 0.02467 0.4072 5.42636
110 4CBX ATP 0.01887 0.41954 5.62914
111 2EVL GAL SPH EIC 0.04922 0.42916 5.74163
112 3MBG FAD 0.001114 0.4938 5.7554
113 1S8G DAO 0.002832 0.43416 5.78512
114 1JQ9 PHE LEU SER TYR LYS 0.009548 0.4229 5.78512
115 4HBM 0Y7 0.04564 0.42693 5.83333
116 4S15 4D8 0.01273 0.42923 5.96026
117 1N83 CLR 0.01416 0.42466 5.96026
118 3HOK Q80 0.04373 0.40796 6.00858
119 1QM5 PLP 0.04687 0.40895 6.03015
120 4UY1 TJM 0.003458 0.43831 6.10687
121 2AK3 AMP 0.007199 0.42723 6.19469
122 3ANP DAO 0.03575 0.4193 6.37255
123 1R2Q GNP 0.03388 0.41666 6.47059
124 4J7N GTG 0.01694 0.4241 6.62252
125 4OR7 25U 0.006617 0.43082 6.66667
126 4OGN 2U5 0.02372 0.42017 6.66667
127 4WT2 3UD 0.03891 0.41568 6.66667
128 5HZ9 5M8 0.03293 0.41204 6.66667
129 1QF9 ADP 0.001205 0.50761 6.70103
130 1QF9 ALF 0.001205 0.50761 6.70103
131 1QF9 C5P 0.001205 0.50761 6.70103
132 4C3Y FAD 0.03502 0.40753 6.95364
133 4OAS 2SW 0.01681 0.42071 7.29167
134 1DB1 VDX 0.02332 0.41972 7.33591
135 3KMR EQN 0.01155 0.43368 7.5188
136 3KMZ EQO 0.02432 0.41275 7.5188
137 4OKD GLC GLC GLC 0.01088 0.4213 7.61589
138 4XSU GLC 0.04537 0.41264 7.61589
139 4XSU UDP 0.04537 0.41264 7.61589
140 2V2V V12 0.01395 0.45997 7.74908
141 5A3B APR 0.02906 0.41742 7.94702
142 2HW2 RFP 0.04068 0.41037 8.39161
143 1SR7 MOF 0.04906 0.41001 8.49421
144 4OAR 2S0 0.02576 0.40884 8.52713
145 1YMT DR9 0.01976 0.4415 8.53659
146 1D1G MTX 0.01379 0.42622 8.92857
147 3VET CP 0.01771 0.4551 8.9404
148 3VET ADP 0.01771 0.4551 8.9404
149 3VET TOY 0.02133 0.4551 8.9404
150 5HTX ADP 0.008255 0.4207 8.9404
151 1KAO GDP 0.005854 0.42925 8.98204
152 1F0X FAD 0.03488 0.40448 9.27152
153 2H92 C5P 0.001625 0.47957 9.58904
154 3G5N PB2 0.04475 0.42983 9.60265
155 3R5Z F42 0.04706 0.40521 9.65517
156 1YKI NFZ 0.03849 0.41028 10.1382
157 1YKI FMN 0.03825 0.40868 10.1382
158 4DHY S41 0.008125 0.44394 10.2649
159 2CDN ADP 0.002812 0.48416 10.4478
160 3LDQ 3P1 0.004138 0.42835 10.5263
161 3SJH ATP 0.01723 0.42313 11.1111
162 3SJH LAR 0.02469 0.42313 11.1111
163 4IEH 1E9 0.01418 0.44975 11.2426
164 2QWO ADP 0.005061 0.43562 11.9565
165 2Q2Y ADP 0.0146 0.46585 12.5828
166 2Q2Y MKR 0.0146 0.46585 12.5828
167 3ABA FLI 0.01348 0.41358 13.245
168 3ET1 ET1 0.01521 0.40582 13.4021
169 1Z83 AP5 0.01776 0.44404 13.7755
170 5E95 GDP 0.02997 0.40067 14.881
171 2DYR PEK 0.04481 0.40597 15.2542
172 5KDS A2G THR ALA PRO GLY GLY NAG SIA 0.03327 0.40897 15.894
173 3GWN FAD 0.004721 0.43986 20.1754
174 3U9Z ADP 0.02343 0.40931 25.8621
Pocket No.: 6; Query (leader) PDB : 4RW3; Ligand: DKA; Similar sites found: 44
This union binding pocket(no: 6) in the query (biounit: 4rw3.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5EP2 AZU 0.003025 0.4639 1.17188
2 4MKF AP5 0.03312 0.4044 1.38249
3 4N49 SAM 0.009527 0.43309 1.98676
4 2CDC XYS 0.04407 0.41763 1.98676
5 2CDC NAP 0.04407 0.41763 1.98676
6 2Y7I ARG 0.002237 0.43217 2.18341
7 1GTE FAD 0.04401 0.43316 2.31788
8 1FCZ 156 0.002691 0.47509 2.55319
9 3G9E RO7 0.02643 0.41561 2.58303
10 3N26 ARG 0.01211 0.41706 2.84553
11 5ULP KB1 0.0123 0.40648 2.98507
12 1O5E 132 0.02347 0.40313 3.50877
13 4QMN DB8 0.03476 0.40372 3.64238
14 2HSA FMN 0.02703 0.41563 3.97351
15 1F8G NAD 0.0118 0.41194 3.97351
16 5CJH 522 0.00436 0.40082 3.97351
17 2QZO KN1 0.008296 0.42828 4.26357
18 2QA8 GEN 0.005582 0.42672 4.26357
19 4ZBR DIF 0.02378 0.40006 4.63576
20 4RZ3 ADP 0.004496 0.45024 4.96689
21 4KCF AKM 0.00974 0.42442 4.96689
22 3WYF GTP 0.009375 0.40601 5.02283
23 5UWU GNP 0.01505 0.40137 5.06329
24 3BPX SAL 0.000591 0.45126 5.40541
25 2Q3O FMN 0.01099 0.4433 5.96026
26 4D86 ADP 0.02179 0.4156 6.29139
27 5WXH ALA ARG THR M3L GLN THR ALA 0.02562 0.4002 6.34921
28 1D4D FAD 0.01696 0.43206 6.95364
29 3C3Y SAH 0.01309 0.42689 7.173
30 1KEW NAD 0.004966 0.46456 7.61589
31 1P0Z FLC 0.03989 0.4023 7.63359
32 1PNO NAP 0.02127 0.42609 7.77778
33 2LBD REA 0.002787 0.47869 7.86517
34 5EOU ATP 0.0009111 0.44354 8.60927
35 5X30 7XF 0.01158 0.42913 8.9404
36 5X30 4LM 0.01259 0.41943 8.9404
37 3FAL REA 0.01168 0.40783 9.02256
38 3LA3 2FT 0.001451 0.40747 9.0535
39 3R1V AZB 0.02126 0.4189 10.2362
40 2CJZ PTR 0.001254 0.45163 11.5894
41 5MY8 RXZ 0.01534 0.43406 11.9205
42 2ZCQ B65 0.04615 0.40005 13.245
43 5KQG 6VX 0.0009104 0.48037 14.0449
44 2AKO ADP 0.01751 0.40592 17.9283
Pocket No.: 7; Query (leader) PDB : 4RW3; Ligand: DKA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4rw3.bio1) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4RW3; Ligand: PLM; Similar sites found: 205
This union binding pocket(no: 8) in the query (biounit: 4rw3.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3E85 BSU 0.02365 0.45406 None
2 4WG0 CHD 0.01388 0.41691 None
3 4NB5 2JT 0.009353 0.46161 0.662252
4 1W2D 4IP 0.04622 0.41317 1.13208
5 5EP2 AZU 0.002282 0.41289 1.17188
6 4XB4 45D 0.04702 0.40373 1.31579
7 4I4B 1CV 0.02366 0.42932 1.3245
8 1R55 097 0.04167 0.40128 1.40187
9 4E5H 0N8 0.01105 0.43307 1.60428
10 5HGR 45D 0.02869 0.43809 1.65563
11 4V24 GYR 0.04142 0.41 1.65563
12 2VAT COA 0.04547 0.40267 1.65563
13 3QKD HI0 0.0115 0.42061 1.65746
14 5CSD ACD 0.02314 0.43613 1.88679
15 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.002061 0.44167 1.98676
16 4ZW9 GLC 0.009805 0.43474 1.98676
17 4ZW9 BGC 0.009805 0.43474 1.98676
18 3ETG GLU 0.03403 0.43147 1.98676
19 3ETG GTP 0.02912 0.4289 1.98676
20 3ETG NDP 0.03538 0.4289 1.98676
21 5FPE 3TR 0.01032 0.419 1.98676
22 1M13 HYF 0.04063 0.41635 1.98676
23 3ETG GWD 0.004051 0.41116 1.98676
24 1LSS NAD 0.03443 0.40095 2.14286
25 1QCI ADE 0.01719 0.40595 2.29008
26 4GNI ATP 0.007739 0.43111 2.31788
27 3HAD NAD 0.04905 0.4258 2.31788
28 4GV4 MEJ 0.02992 0.41665 2.31788
29 3I6I NDP 0.02751 0.41581 2.31788
30 5AZC PGT 0.03006 0.45175 2.33333
31 1YUC EPH 0.03763 0.42758 2.35294
32 1ZDU P3A 0.03167 0.42544 2.44898
33 5UNJ RJW 0.02546 0.41211 2.44898
34 5CUQ NSC 0.03932 0.42496 2.62172
35 4H6Q TFB 0.01515 0.44241 2.64901
36 5AR0 GB8 0.009756 0.43918 2.64901
37 2BUP ADP 0.01022 0.43831 2.64901
38 2BUP ATP 0.01022 0.43831 2.64901
39 3DST GRG 0.01886 0.4281 2.64901
40 2PX6 DH9 0.02739 0.42766 2.64901
41 5KOR GDP 0.02253 0.42652 2.64901
42 3P5P A3C 0.02969 0.41809 2.64901
43 5HCV 60R 0.00494 0.41232 2.64901
44 2BIF BOG 0.02105 0.40896 2.64901
45 1W96 S1A 0.01872 0.40785 2.64901
46 1O6U PLM 0.0394 0.40542 2.64901
47 2QES ADE 0.01119 0.41623 2.68199
48 4XCL AGS 0.007168 0.46623 2.7027
49 1YDK GTX 0.0303 0.43246 2.7027
50 3OLL EST 0.04441 0.4107 2.91667
51 4J24 EST 0.04324 0.40205 2.91667
52 1A05 IPM 0.0001794 0.50046 2.98013
53 3HP9 CF1 0.0008066 0.47538 2.98013
54 2D3M COA 0.004479 0.45917 2.98013
55 2V7Y ADP 0.008092 0.4329 2.98013
56 3NRR NAP 0.0384 0.43218 2.98013
57 3ZQE DXC 0.009799 0.41639 2.98013
58 4GCZ FMN 0.03634 0.40282 2.98013
59 4URG C2E 0.01217 0.41196 2.99401
60 3DBX PLM 0.01391 0.4119 3.0303
61 3BKR PLM 0.02271 0.40953 3.1746
62 5CFT 51G 0.03819 0.40581 3.24324
63 5CFT APC 0.03423 0.40581 3.24324
64 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.006241 0.44548 3.31126
65 3LOO B4P 0.01179 0.43722 3.31126
66 5F1X ATP 0.01634 0.42928 3.31126
67 4GFD 0YB 0.02357 0.42811 3.41463
68 1XVB 3BR 0.01767 0.41262 3.52941
69 2FP2 TSA 0.02588 0.42813 3.61446
70 3QFU ADP 0.005937 0.45192 3.64238
71 4QJR PIZ 0.02706 0.43393 3.64238
72 1YQZ FAD 0.04501 0.43356 3.64238
73 1ZDT PEF 0.0312 0.43295 3.64238
74 1BOB ACO 0.02395 0.43076 3.64238
75 5BYZ 4WE 0.02651 0.42962 3.64238
76 2R40 20E 0.03322 0.4166 3.64238
77 4QMN DB8 0.03482 0.41196 3.64238
78 2XN5 FUN 0.02427 0.41133 3.64238
79 2Y31 SMQ 0.04585 0.40169 3.74532
80 2HPS CTZ 0.02692 0.40504 3.76344
81 2ZPA ACO 0.006128 0.45891 3.97351
82 1TIW FAD 0.02203 0.44904 3.97351
83 1TIW TFB 0.02203 0.44904 3.97351
84 2WKQ FMN 0.02025 0.43344 3.97351
85 3ICT COA 0.01248 0.42294 3.97351
86 4U0I 0LI 0.03493 0.41997 3.97351
87 4I6G FAD 0.01982 0.41536 3.97351
88 3ICS COA 0.01709 0.40546 3.97351
89 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 0.03691 0.45851 4.0293
90 3AQT RCO 0.01443 0.42456 4.08163
91 4DR9 BB2 0.03258 0.40535 4.16667
92 5L92 C0R 0.01107 0.44414 4.30464
93 5VZ0 2BA 0.01526 0.41533 4.30464
94 1M2T ADE 0.01179 0.44129 4.33071
95 5EY0 GTP 0.03025 0.40327 4.37956
96 5UC9 MYR 0.01597 0.43417 4.42478
97 1N8V BDD 0.02778 0.41731 4.46429
98 2QZT PLM 0.01065 0.46912 4.5045
99 2FV5 541 0.02498 0.42029 4.5977
100 4ZBR DIF 0.02361 0.43536 4.63576
101 4ZBR NPS 0.01128 0.42538 4.63576
102 3A51 VDY 0.03992 0.40313 4.63576
103 2W90 6PG 0.008919 0.40301 4.63576
104 4IBF 1D5 0.00362 0.45884 4.65116
105 3CIP ATP 0.03842 0.42154 4.6875
106 3BZF VAL MET ALA PRO ARG ALA LEU LEU LEU 0.0442 0.42786 4.71014
107 5OCA 9QZ 0.003193 0.41129 4.7619
108 1KUK PCA LYS TRP 0.04517 0.40772 4.92611
109 2ZKJ ADP 0.003272 0.47863 4.96689
110 2OO8 RAJ 0.02639 0.42241 4.96689
111 4B9Q ATP 0.03024 0.40021 4.96689
112 4F4P 0SB 0.02477 0.4154 5.12821
113 4H07 IPH 0.04632 0.41841 5.19481
114 2QXL ATP 0.005805 0.45939 5.29801
115 4PJT 2YQ 0.01866 0.42333 5.29801
116 1HN4 MJI 0.01546 0.48715 5.34351
117 4R6W PC 0.01856 0.42683 5.42636
118 3QMN COA 0.02429 0.40863 5.42636
119 2FTB OLA 0.03682 0.41967 5.6
120 1JQI CAA 0.03366 0.44161 5.62914
121 2BP1 FLC 0.01227 0.42199 5.62914
122 2D5Z L35 0.04298 0.45209 5.67376
123 4ETZ C2E 0.009521 0.43324 5.72391
124 5C0C ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.02601 0.45346 5.77617
125 2X4T ASN LEU VAL PRW MET VAL ALA THR VAL 0.02102 0.42279 5.81818
126 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.0381 0.40763 5.81818
127 5W2I ADP 0.04516 0.41748 5.83658
128 5W2I I3P 0.04516 0.41748 5.83658
129 5V3Y 5V8 0.0315 0.40381 5.94406
130 4S15 4D8 0.02565 0.43563 5.96026
131 1ZPD CIT 0.007121 0.42334 5.96026
132 1N83 CLR 0.0461 0.40566 5.96026
133 5AG3 3EB 0.03825 0.40121 5.96026
134 1MRH FMC 0.01192 0.43286 6.08365
135 5DKK FMN 0.01933 0.43276 6.2069
136 1FBY REA 0.02773 0.41064 6.27615
137 3HY2 ATP 0.007035 0.425 6.36364
138 1TW4 CHD 0.03001 0.41714 6.4
139 4V3I ASP LEU THR ARG PRO 0.0006604 0.4578 6.61479
140 2IYA ZIO 0.006332 0.40495 6.62252
141 3W54 RNB 0.03638 0.40011 6.68693
142 5J32 IPM 0.000612 0.44653 6.95364
143 2P1C GG3 0.0263 0.42777 6.95364
144 5IR4 ZPE 0.01558 0.40481 6.95364
145 1J1R ADE 0.01196 0.42359 7.27969
146 5KF6 TFB 0.01589 0.46504 7.28477
147 5KF6 FAD 0.01589 0.46504 7.28477
148 2O1V ADP 0.006118 0.44622 7.28477
149 2V1O COA 0.0287 0.41071 7.28477
150 3N7S 3N7 0.01248 0.42527 7.29167
151 3F8K COA 0.01371 0.41947 7.5
152 5TVI MYR 0.002743 0.41016 7.6087
153 3HLX PQQ 0.02862 0.41395 7.75194
154 5IJJ I6P 0.001873 0.44216 7.8125
155 2LBD REA 0.02765 0.40719 7.86517
156 1FM9 9CR 0.02817 0.40437 8
157 2YFB SIN 0.004816 0.4142 8.13953
158 5DJT FMN 0.02025 0.43654 8.27586
159 1EE0 CAA 0.0007582 0.49722 8.27815
160 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 0.02989 0.44173 8.33333
161 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.02082 0.44075 8.40336
162 1YMT DR9 0.02658 0.44279 8.53659
163 3R9C ECL 0.01846 0.42891 8.60927
164 5HCY 60D 0.02093 0.40575 8.60927
165 1VR0 3SL 0.0224 0.42002 8.90688
166 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.0252 0.45117 9
167 3FAL REA 0.02299 0.40081 9.02256
168 1YC4 43P 0.004851 0.46534 9.09091
169 1XZ3 ICF 0.002535 0.42193 9.1954
170 4QTB 38Z 0.02981 0.43008 9.27152
171 4M4Q 21A 0.04779 0.40293 9.27152
172 5SVV FMN 0.02487 0.42979 9.48905
173 5U1M ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.02237 0.43481 9.52381
174 5SYN 71T 0.03193 0.40793 9.52381
175 3IS2 FAD 0.02048 0.43624 9.74026
176 2B96 ANN 0.03347 0.42489 9.7561
177 2BHW LUX 0.03472 0.40249 9.91379
178 3HST MLR 0.03321 0.40122 9.92908
179 2AMV BIN 0.007822 0.50005 9.93377
180 4B5P ACO 0.01284 0.43965 10
181 5EFW FMN 0.0238 0.42404 10
182 3D72 FAD 0.02792 0.41779 10.0671
183 4EES FMN 0.02501 0.42696 10.4348
184 3LDQ 3P1 0.00868 0.43717 10.5263
185 5KLP IHP 0.001898 0.47764 10.596
186 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.00589 0.45268 10.6557
187 2XCM ADP 0.004787 0.47116 10.8108
188 5CX8 TG6 0.004499 0.43621 10.9272
189 5D9O BGC BGC BGC BGC 0.01523 0.40688 11.5894
190 3GFZ FMN 0.009983 0.42556 11.9205
191 2QWO ADP 0.009041 0.44594 11.9565
192 3NT6 COA 0.0158 0.41177 12.2517
193 3NTD COA 0.01262 0.42635 12.5828
194 2GBB CIT 0.02897 0.40418 12.8205
195 3Q8G PEE 0.005353 0.46094 13.245
196 5X4Q 7Z6 0.002806 0.4812 13.4752
197 3GKJ HC3 0.04262 0.40013 14.2241
198 3RV5 DXC 0.002444 0.43395 14.6067
199 4URN NOV 0.01416 0.41124 14.6667
200 2VWA PTY 0.001509 0.44354 14.8515
201 2DYS TGL 0.0485 0.41966 15.2542
202 5N1X 8HH 0.00000009031 0.46133 16.1017
203 5N8V KZZ 0.02442 0.41052 17.3913
204 3ZVS MLI 0.01783 0.41837 17.5
205 1LEK GLU GLN TYR LYS PHE TYR SER VAL 0.04314 0.43582 17.8832
Pocket No.: 9; Query (leader) PDB : 4RW3; Ligand: IPD; Similar sites found: 120
This union binding pocket(no: 9) in the query (biounit: 4rw3.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4PSB GA3 0.03162 0.40878 None
2 5A5W GUO 0.006111 0.4529 1.58103
3 1EWF PC1 0.03252 0.41402 1.65563
4 5HGR 45D 0.02664 0.41379 1.65563
5 2G50 PYR 0.0111 0.40059 1.98676
6 5UIU 8CG 0.03768 0.40024 1.98676
7 3HQP OXL 0.02462 0.4001 1.98676
8 5ML3 DL3 0.04716 0.40252 2.01342
9 2R5V HHH 0.002001 0.44172 2.31788
10 4H8N NDP 0.009601 0.43113 2.31788
11 4YZC STU 0.02361 0.41761 2.31788
12 1GTE FMN 0.03904 0.40495 2.31788
13 1GTE IUR 0.03904 0.40495 2.31788
14 2YKL NLD 0.004242 0.42597 2.35849
15 3L0E G58 0.02836 0.40419 2.37154
16 1XG4 ICT 0.01277 0.41095 2.37288
17 4BJ8 BTN 0.01433 0.40463 2.38095
18 4H6Q TFB 0.006685 0.43926 2.64901
19 4H6Q FAD 0.006057 0.43721 2.64901
20 2QCD U5P 0.02018 0.4028 2.69231
21 2QUN FUD 0.008855 0.4149 2.75862
22 1OFD FMN 0.02982 0.41221 2.82895
23 4B9Z ACR 0.006838 0.42247 2.98013
24 5UI2 EQ3 0.02188 0.41724 2.98013
25 2X2M X2M 0.01282 0.41438 2.98013
26 3B1Q NOS 0.01106 0.41217 2.98013
27 5T79 NDP 0.02885 0.40508 2.98013
28 3SXS PP2 0.02091 0.40202 2.98507
29 2I6A 5I5 0.005664 0.43218 3.31126
30 3FHQ BMA NGT MAN MAN 0.008312 0.41625 3.31126
31 1ZPT FAD 0.03903 0.40882 3.31126
32 1ZB6 GST 0.03039 0.40514 3.31126
33 3LOO B4P 0.04582 0.40222 3.31126
34 5KJZ PCG 0.01174 0.40889 3.33333
35 5JGA 6KC 0.003417 0.457 3.64238
36 1REQ DCA 0.008608 0.44783 3.64238
37 5X7Q BGC 0.03748 0.42009 3.64238
38 3EPO MP5 0.009655 0.41699 3.64238
39 5IH9 6BF 0.02677 0.41368 3.64238
40 2R40 20E 0.02881 0.40112 3.64238
41 2BNJ XYP XYP AHR FER 0.03099 0.40086 3.64238
42 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 0.04998 0.40019 3.64238
43 2X34 UQ8 0.03125 0.42003 3.8674
44 2X32 OTP 0.04657 0.40973 3.91061
45 1OLM VTQ 0.03181 0.4016 3.97022
46 1LQA NDP 0.0341 0.40809 3.97351
47 2WKQ FMN 0.016 0.40609 3.97351
48 5DEY 59T 0.03927 0.41756 4.0404
49 5VC5 96M 0.009674 0.42825 4.15225
50 2XIQ MLC 0.001708 0.47125 4.30464
51 1OX5 1PR 0.005592 0.44188 4.30464
52 5W4W 9WG 0.01924 0.41548 4.30464
53 3OTX AP5 0.03075 0.40942 4.30464
54 1H8S AIC 0.003707 0.42358 4.36508
55 1W1G 4PT 0.001706 0.42135 4.63576
56 1OVD ORO 0.04799 0.40211 4.63576
57 1OVD FMN 0.04799 0.40211 4.63576
58 1Y0G 8PP 0.04849 0.40633 4.71204
59 1M5W DXP 0.003714 0.45885 4.93827
60 1AFS NAP 0.02504 0.41074 4.95356
61 1GVE NAP 0.02202 0.4171 4.96689
62 3VHE 42Q 0.02436 0.41015 5.01393
63 5M42 FMN 0.007623 0.4181 5.01792
64 2C91 NAP 0.02386 0.41633 5.02959
65 4YRD 3IT 0.0131 0.40496 5.29801
66 1MH5 HAL 0.007849 0.42996 5.47945
67 1MJJ HAL 0.01507 0.41554 5.47945
68 1KGI T4A 0.01353 0.41641 5.51181
69 2BP1 NDP 0.03154 0.40989 5.62914
70 1AD4 HH2 0.001458 0.45087 5.6391
71 4RPO T6C 0.02264 0.40925 5.8296
72 2Q3O FMN 0.02735 0.40229 5.96026
73 5FYR INS 0.00003041 0.46981 6.04027
74 3C3N FMN 0.02586 0.41551 6.08974
75 2NNQ T4B 0.04827 0.40291 6.10687
76 3CV6 NAP 0.04195 0.40713 6.29139
77 3CV6 HXS 0.04358 0.40713 6.29139
78 2HK5 1BM 0.02189 0.40103 6.2963
79 1LBF 137 0.00849 0.43116 6.47773
80 4FFG 0U8 0.009019 0.40991 6.62252
81 3MJY FMN 0.03362 0.40628 6.62252
82 3MJY IJZ 0.03362 0.40628 6.62252
83 3SLS ANP 0.02327 0.40133 6.90789
84 1Q6O LG6 0.01417 0.40487 6.94444
85 3WG6 NDP 0.01093 0.42821 6.95364
86 3NC9 TR3 0.02717 0.41731 6.95364
87 2ABS ACP 0.02974 0.41611 6.95364
88 3OIX FMN 0.02078 0.40693 6.95364
89 4HKP TKW 0.02048 0.40573 6.95364
90 4JDI ANP 0.02067 0.40227 6.95364
91 2Y88 2ER 0.01947 0.42205 6.96721
92 1X1Z BMP 0.04133 0.41488 7.14286
93 5KF6 FAD 0.004829 0.44655 7.28477
94 4NMC FAD 0.008696 0.44271 7.28477
95 4NMC 2OP 0.008306 0.44271 7.28477
96 5U23 TQP 0.02302 0.41383 7.28477
97 1QFT HSM 0.01619 0.40202 7.42857
98 5T9C G3P 0.000007442 0.51115 7.46269
99 5NBW 8SK 0.00214 0.42104 7.65766
100 3MI2 PFU 0.02798 0.42421 7.8853
101 5EOB 5QQ 0.03028 0.42454 7.94702
102 3NTY 5P3 0.04154 0.40914 7.94702
103 3NTY NAP 0.04002 0.40914 7.94702
104 5DJT FMN 0.01493 0.40758 8.27586
105 4XDA ADP 0.04035 0.40209 8.27815
106 4XDA RIB 0.04035 0.40209 8.27815
107 1DJX I3P 0.00007495 0.50739 8.60927
108 1EOM NAG MAN MAN MAN NAG GAL NAG GAL 0.01028 0.41565 8.62069
109 2TPS TPS 0.0001635 0.51708 9.2511
110 1QPR PPC 0.02115 0.40177 9.50704
111 4DHY GLC 0.03827 0.40107 10.2649
112 4XT2 43L 0.02447 0.40331 11.1111
113 5LXT ACP 0.01056 0.42028 11.2583
114 5HA0 LTD 0.02141 0.40914 11.5385
115 1TKK ALA GLU 0.01581 0.40448 11.5894
116 1KQW RTL 0.01475 0.40598 11.9403
117 4WZH FMN 0.02768 0.4034 12.5828
118 4MNS 2AX 0.02347 0.42763 14.4654
119 2G37 FAD 0.01046 0.41882 15.2318
120 2GJ5 VD3 0.04708 0.40256 18.5185
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