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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: 54
No: Ligand ECFP6 Tc MDL keys Tc
1 OCA 1 1
2 MYR 0.956522 1
3 EW8 0.956522 1
4 TDA 0.956522 1
5 F15 0.956522 1
6 PLM 0.956522 1
7 STE 0.956522 1
8 X90 0.956522 1
9 DAO 0.956522 1
10 KNA 0.956522 1
11 DCR 0.956522 1
12 F23 0.956522 1
13 11A 0.956522 1
14 DKA 0.956522 1
15 SHV 0.869565 0.952381
16 KTC 0.758621 0.875
17 6NA 0.75 0.904762
18 AZ1 0.695652 0.64
19 OLA 0.6875 0.954545
20 NER 0.6875 0.954545
21 ELA 0.6875 0.954545
22 PML 0.652174 0.6
23 VCA 0.636364 0.954545
24 PAM 0.636364 0.954545
25 LEA 0.625 0.809524
26 3LA 0.575758 0.8
27 MYZ 0.558824 0.909091
28 12H 0.551724 0.615385
29 ODD 0.540541 0.913043
30 BRC 0.533333 0.666667
31 14V 0.527778 0.740741
32 M12 0.515152 0.869565
33 14U 0.514286 0.703704
34 EOD 0.512821 0.7
35 EIC 0.512821 0.913043
36 BUA 0.5 0.666667
37 D0G 0.472222 0.954545
38 BMJ 0.472222 0.954545
39 BNV 0.472222 0.954545
40 OOA 0.454545 0.76
41 9J6 0.454545 0.666667
42 RCL 0.446809 0.84
43 5UF 0.444444 0.807692
44 HXD 0.432432 0.807692
45 56S 0.432432 0.653846
46 FTT 0.432432 0.807692
47 ODT 0.428571 0.782609
48 LNL 0.418605 0.826087
49 3X1 0.416667 0.818182
50 6UL 0.410256 0.68
51 CUY 0.410256 0.68
52 CNS 0.410256 0.68
53 243 0.408163 0.807692
54 HOC 0.4 0.769231
Ligand no: 2; Ligand: TDA; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 EW8 1 1
3 TDA 1 1
4 F15 1 1
5 PLM 1 1
6 STE 1 1
7 X90 1 1
8 DAO 1 1
9 KNA 1 1
10 DCR 1 1
11 F23 1 1
12 11A 1 1
13 DKA 1 1
14 OCA 0.956522 1
15 SHV 0.833333 0.952381
16 KTC 0.793103 0.875
17 AZ1 0.73913 0.64
18 6NA 0.72 0.904762
19 ELA 0.71875 0.954545
20 OLA 0.71875 0.954545
21 NER 0.71875 0.954545
22 VCA 0.666667 0.954545
23 PAM 0.666667 0.954545
24 PML 0.625 0.6
25 3LA 0.606061 0.8
26 LEA 0.6 0.809524
27 MYZ 0.588235 0.909091
28 12H 0.586207 0.615385
29 ODD 0.567568 0.913043
30 BRC 0.566667 0.666667
31 14V 0.555556 0.740741
32 M12 0.545455 0.869565
33 14U 0.542857 0.703704
34 EIC 0.538462 0.913043
35 EOD 0.538462 0.7
36 D0G 0.5 0.954545
37 BMJ 0.5 0.954545
38 BNV 0.5 0.954545
39 BUA 0.48 0.666667
40 RCL 0.468085 0.84
41 FTT 0.459459 0.807692
42 HXD 0.459459 0.807692
43 56S 0.459459 0.653846
44 ODT 0.452381 0.782609
45 3X1 0.444444 0.818182
46 LNL 0.44186 0.826087
47 9J6 0.441176 0.666667
48 OOA 0.441176 0.76
49 CUY 0.435897 0.68
50 6UL 0.435897 0.68
51 CNS 0.435897 0.68
52 5UF 0.432432 0.807692
53 243 0.428571 0.807692
54 1QW 0.418605 0.606061
55 GYM 0.418605 0.606061
56 O8N 0.413793 0.75
57 1DO 0.413793 0.75
58 PL3 0.413793 0.75
59 OC9 0.413793 0.75
60 DE1 0.413793 0.75
61 F09 0.413793 0.75
62 T25 0.403846 0.677419
Ligand no: 3; Ligand: PLM; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 EW8 1 1
3 TDA 1 1
4 F15 1 1
5 PLM 1 1
6 STE 1 1
7 X90 1 1
8 DAO 1 1
9 KNA 1 1
10 DCR 1 1
11 F23 1 1
12 11A 1 1
13 DKA 1 1
14 OCA 0.956522 1
15 SHV 0.833333 0.952381
16 KTC 0.793103 0.875
17 AZ1 0.73913 0.64
18 6NA 0.72 0.904762
19 ELA 0.71875 0.954545
20 OLA 0.71875 0.954545
21 NER 0.71875 0.954545
22 VCA 0.666667 0.954545
23 PAM 0.666667 0.954545
24 PML 0.625 0.6
25 3LA 0.606061 0.8
26 LEA 0.6 0.809524
27 MYZ 0.588235 0.909091
28 12H 0.586207 0.615385
29 ODD 0.567568 0.913043
30 BRC 0.566667 0.666667
31 14V 0.555556 0.740741
32 M12 0.545455 0.869565
33 14U 0.542857 0.703704
34 EIC 0.538462 0.913043
35 EOD 0.538462 0.7
36 D0G 0.5 0.954545
37 BMJ 0.5 0.954545
38 BNV 0.5 0.954545
39 BUA 0.48 0.666667
40 RCL 0.468085 0.84
41 FTT 0.459459 0.807692
42 HXD 0.459459 0.807692
43 56S 0.459459 0.653846
44 ODT 0.452381 0.782609
45 3X1 0.444444 0.818182
46 LNL 0.44186 0.826087
47 9J6 0.441176 0.666667
48 OOA 0.441176 0.76
49 CUY 0.435897 0.68
50 6UL 0.435897 0.68
51 CNS 0.435897 0.68
52 5UF 0.432432 0.807692
53 243 0.428571 0.807692
54 1QW 0.418605 0.606061
55 GYM 0.418605 0.606061
56 O8N 0.413793 0.75
57 1DO 0.413793 0.75
58 PL3 0.413793 0.75
59 OC9 0.413793 0.75
60 DE1 0.413793 0.75
61 F09 0.413793 0.75
62 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 with APoc: 444
This union binding pocket(no: 1) in the query (biounit: 4rw3.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 5MT9 ARG None
2 5MT9 SRO None
3 1UO5 PIH None
4 1NU4 MLA None
5 1UO4 PIH None
6 4V2O CLQ None
7 1JHG TRP None
8 5NTW 98N None
9 6BKL EU7 None
10 6BKL RIM None
11 5AEI LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG None
12 4NB5 2JT 0.662252
13 1P72 ADP 0.993378
14 5D9J 0N8 1.06952
15 5EP2 AZU 1.17188
16 2VAR ANP 1.3245
17 4I4B 1CV 1.3245
18 4CA5 3EF 1.3245
19 1W8D NAP 1.3245
20 1W73 NAP 1.3245
21 3L41 LYS PRO SEP GLN GLU LEU 1.36364
22 1JGS SAL 1.44928
23 5WX3 COA 1.65563
24 4QO5 NAG 1.65563
25 2JJK R15 1.65563
26 5W8Q BU4 1.65563
27 6DIO CIT 1.65563
28 4LH7 NMN 1.65563
29 3QKD HI0 1.65746
30 3RGA ILD 1.76678
31 4E1M TQ2 1.80723
32 4E1N TQX 1.80723
33 5CSD ACD 1.88679
34 5X3R 7Y3 1.95122
35 1D6H COA 1.98676
36 5EHR 5OD 1.98676
37 1N1G BCP 1.98676
38 1OS1 ATP 1.98676
39 1OS1 PYR 1.98676
40 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 1.98676
41 4DFU QUE 1.98676
42 2Q6B HR2 1.98676
43 1M13 HYF 1.98676
44 3FPF TNA 2.01342
45 3FPF MTA 2.01342
46 5DRB 5FJ 2.06186
47 4HE2 AMP 2.07101
48 5NI5 8YB 2.08333
49 5DCH 1YO 2.08333
50 4G86 BNT 2.11268
51 4TWP AXI 2.21402
52 4R57 ACO 2.27273
53 4DE3 DN8 2.28137
54 4DDY DN6 2.28137
55 2VZZ SCA 2.29358
56 6BMS PLM 2.31788
57 2YPO PHE 2.31788
58 5G57 6M5 2.31788
59 6EQ8 BQZ 2.31788
60 5J6A P46 2.31788
61 1U1I NAD 2.31788
62 1OPK MYR 2.31788
63 3EWC MCF 2.31788
64 6F6E PLM 2.31788
65 2PWY SAH 2.32558
66 2GQ2 NAP 2.32558
67 5AZC PGT 2.33333
68 5JF2 SF7 2.45098
69 4EOX 0S5 2.46305
70 1FCZ 156 2.55319
71 6D28 NEC 2.5641
72 1YYE 196 2.61194
73 2QV6 GTP 2.61194
74 5CUQ NSC 2.62172
75 5KOR GDP 2.64901
76 2XSU PIE 2.64901
77 5JKG 6LF 2.64901
78 5GUE GGS 2.64901
79 5UR1 YY9 2.64901
80 3DST GRG 2.64901
81 2WYA HMG 2.64901
82 2OWZ CIT 2.64901
83 1BXK NAD 2.64901
84 4H6Q TFB 2.64901
85 2PX6 DH9 2.64901
86 2BIF BOG 2.64901
87 1EE4 PRO ALA ALA LYS ARG VAL LYS LEU ASP 2.64901
88 3WQM B29 2.65781
89 4XCL AGS 2.7027
90 2OKL BB2 2.7027
91 3G5K BB2 2.73224
92 3KV8 FAH 2.8777
93 3UP3 XCA 2.88066
94 4XOQ F42 2.89855
95 1U3R 338 2.90456
96 4J24 EST 2.91667
97 4J26 EST 2.91667
98 2GFD RDA 2.9661
99 1GNI OLA 2.98013
100 5LX9 OLB 2.98013
101 1A05 IPM 2.98013
102 3ZQE DXC 2.98013
103 2VAP GDP 2.98013
104 5FPN KYD 2.98013
105 2J7T 274 2.98013
106 3V49 PK0 3.00752
107 5FVJ ACO 3.01205
108 3DBX PLM 3.0303
109 5NWI TYR PHE SER SEP ASN 3.05344
110 5IXK 6EW 3.07018
111 4LSJ LSJ 3.10078
112 6B5Q PPI CZS 2KY MLY 1XY 3.11111
113 2AX9 BHM 3.125
114 3BQD DAY 3.13725
115 4BFW ZVW 3.14465
116 3IQE H4M 3.18021
117 2C0U FAD NBT 3.18907
118 6CBO DOW 3.18907
119 3D9F FAD 3.19635
120 4DK7 0KS 3.23887
121 3OV6 MK0 3.31126
122 5C9J STE 3.31126
123 6MVU K4V 3.31126
124 1ZSQ PIB 3.31126
125 5BVE 4VG 3.31126
126 5XDT MB3 3.31126
127 5XDT GDP 3.31126
128 5L7G 6QE 3.31126
129 3G58 988 3.31126
130 1NF8 BOG 3.38164
131 4RHP PEF 3.40426
132 1JR8 FAD 3.4188
133 3DTU DXC 3.43511
134 5Y24 GLY MET PRO ARG GLY ALA 3.64238
135 4B1V LAB 3.64238
136 2R40 20E 3.64238
137 1BOB ACO 3.64238
138 5IM3 DTP 3.64238
139 1V1A ADP 3.64238
140 2J07 FAD 3.64238
141 2J07 HDF 3.64238
142 5N5U 7N8 3.64238
143 2P8U COA 3.64238
144 1ZDT PEF 3.64238
145 4UDB CV7 3.67647
146 1TMX HGX 3.75427
147 1H0A I3P 3.79747
148 1LQY BB2 3.80435
149 5WGD EST 3.83142
150 1XX4 BAM 3.83142
151 5DXG EST 3.83142
152 3LLI FAD 3.83142
153 5DX3 EST 3.83142
154 5WGQ EST 3.83142
155 4QC6 30N 3.91061
156 4MGD 27N 3.92157
157 4MGB XDH 3.92157
158 1ZED PNP 3.97351
159 2ZPA ACO 3.97351
160 2EW5 Y12 3.97351
161 4U0I 0LI 3.97351
162 2J4D FAD 3.97351
163 3EE4 MYR 3.97351
164 4I6G FAD 3.97351
165 2UUU FAD 3.97351
166 2UUU PL3 3.97351
167 4Q0A 4OA 3.97351
168 6ANV MTT 3.97351
169 1BGQ RDC 4
170 2CB3 MLD 4
171 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 4.0293
172 5DEY 59T 4.0404
173 1YRE COA 4.06091
174 3AQT RCO 4.08163
175 5NM7 GLY 4.13534
176 4RFM 3P6 4.13534
177 2BPM 529 4.15094
178 4A7W GTP 4.16667
179 4DR9 BB2 4.16667
180 1Q1Y BB2 4.18848
181 4DW4 U5P 4.19162
182 2D5X L35 4.25532
183 2WCJ M21 4.25532
184 2QA8 GEN 4.26357
185 2QZO KN1 4.26357
186 1R6N 434 4.2654
187 4INW 1EY 4.28571
188 6FX0 E9T 4.30464
189 2C29 DQH 4.30464
190 2C29 NAP 4.30464
191 6C1R EFD 4.30464
192 5VZ0 2BA 4.30464
193 2WPX ACO 4.30464
194 1Q7E MET 4.30464
195 5IOR FAD 4.31034
196 5IOR RBF 4.31034
197 5IOR DUS 4.31034
198 4TV1 36M 4.38247
199 3D04 SAK 4.40252
200 5UC9 MYR 4.42478
201 1N8V BDD 4.46429
202 2QZT PLM 4.5045
203 3OU2 SAH 4.58716
204 2FV5 541 4.5977
205 3GST GPR 4.60829
206 5TO8 7FM 4.60993
207 6DQU GLY ILE ILE ASN THR LEU 4.63576
208 4ONA UW1 4.63576
209 5MW4 5JU 4.63576
210 4ZBR NPS 4.63576
211 4ZBR DIF 4.63576
212 4Q6R 30J 4.63576
213 2C9E PID 4.63576
214 4UA3 COA 4.63576
215 3A51 VDY 4.63576
216 5IUY BOG 4.63576
217 4IBF 1D5 4.65116
218 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 4.74453
219 5OCA 9QZ 4.7619
220 1BC5 ACE ASN TRP GLU THR PHE 4.83271
221 6G5J EM8 4.84848
222 3R9V DXC 4.8951
223 1U3D FAD 4.91159
224 5N26 CPT 4.94506
225 1UDY CS8 4.96689
226 1UDY FAD 4.96689
227 2ZKJ ADP 4.96689
228 4NE2 SH2 4.96689
229 3VHE 42Q 5.01393
230 5N69 2OW 5.02513
231 1DQE BOM 5.10949
232 4F4P 0SB 5.12821
233 2PX8 MGT 5.20446
234 1UHK CZN 5.2356
235 2YI0 YI0 5.24017
236 3EKK GS2 5.29801
237 3LDW IPE 5.29801
238 3LDW ZOL 5.29801
239 5OLK DTP 5.29801
240 2QXL ATP 5.29801
241 4R29 SAM 5.35714
242 5LJ0 6XX 5.38462
243 4XF6 LIP 5.49451
244 4XF6 INS 5.49451
245 4XF6 ADP 5.49451
246 3KPX CZH 5.55556
247 4JE7 BB2 5.58376
248 3SQP 3J8 5.62914
249 2BP1 FLC 5.62914
250 3QLM PLM 5.64516
251 2GTE VA 5.64516
252 5WZU 7W3 5.69106
253 2EVL GAL SPH EIC 5.74163
254 1RKD ADP 5.82524
255 1RKD RIB 5.82524
256 4YSX E23 5.85106
257 5F1R 42O 5.90717
258 5LPA 71R 5.92593
259 5LPA ATP 5.92593
260 5V3Y 5V8 5.94406
261 2OBD PCW 5.96026
262 1ZPD CIT 5.96026
263 5AG3 3EB 5.96026
264 3RS8 ALA TRP LEU PHE GLU ALA 5.96026
265 3RS8 APR 5.96026
266 4AVB ACO 5.96026
267 5I8F ML1 6.06061
268 4B7P 9UN 6.08696
269 5U98 1KX 6.13718
270 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 6.13718
271 4FDV 0UK 6.2201
272 5OSW AE4 6.29139
273 1P0H COA 6.29139
274 1P0H ACO 6.29139
275 4ASE AV9 6.29139
276 4AG8 AXI 6.29139
277 5OSW DIU 6.29139
278 2JC9 ADN 6.29139
279 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 6.31579
280 2F59 INI 6.36943
281 3WUR O4B 6.43275
282 1DKF OLA 6.43777
283 4M8E 29V 6.49351
284 4POJ 2VP 6.49351
285 5LWY OLB 6.54206
286 5OWC AYZ 6.55738
287 4V3I ASP LEU THR ARG PRO 6.61479
288 2RH1 CLR 6.62252
289 4YUS FMN 6.62252
290 3W54 RNB 6.68693
291 1HBK MYR 6.74157
292 4WRI OKA 6.77083
293 2J8C SPO 6.84039
294 2J8C U10 6.84039
295 2P1C GG3 6.95364
296 3NB0 G6P 6.95364
297 3RDE OYP 6.95364
298 2HFK E4H 6.95364
299 5EEH SAH 6.95364
300 5EEH P9P 6.95364
301 1XMY ROL 6.95364
302 1XM4 PIL 6.95364
303 1XMU ROF 6.95364
304 1X0P FAD 6.99301
305 4U82 FPS 7.03125
306 2OZ5 7XY 7.09459
307 3E3U NVC 7.1066
308 2RHQ GAX 7.14286
309 3L9R L9R 7.14286
310 3DCT 064 7.23404
311 3IIS PID 7.28477
312 3SHZ 5CO 7.28477
313 2O1V ADP 7.28477
314 3N7S 3N7 7.29167
315 3OKI OKI 7.29614
316 4BPM GSH 7.30337
317 4PGK Y69 7.37705
318 4ZGM 32M 7.37705
319 3RUU 37G 7.42358
320 5ICK FEZ 7.42358
321 3QMK SGN IDS SGN IDS 7.47664
322 3F8K COA 7.5
323 2CNT COA 7.5
324 3KMZ EQO 7.5188
325 5DQY BEZ 7.61905
326 3E7O 35F 7.77778
327 5IJJ I6P 7.8125
328 1XAP TTB 7.86517
329 6A5Y 9CR 7.89474
330 3W5N RAM 7.94702
331 1RDT L79 8
332 3BEJ MUF 8
333 3IPQ 965 8
334 1NRL SRL 8
335 4DM8 REA 8
336 1FM9 9CR 8
337 2BYC FMN 8.0292
338 3GF2 SAL 8.21918
339 2ISJ FMN 8.26087
340 4IPE ANP 8.27815
341 4IVG ANP 8.27815
342 1EE0 CAA 8.27815
343 4XDA RIB 8.27815
344 4XDA ADP 8.27815
345 4ELG 52J 8.43373
346 3T6E UQ9 8.52713
347 1YMT DR9 8.53659
348 1WOR RED 8.60927
349 2OFV 242 8.66426
350 1VR0 3SL 8.90688
351 6H21 UD1 8.9404
352 2WR1 NAG 8.9404
353 4GU5 FAD 8.9404
354 3FAL LO2 9.02256
355 3FAL REA 9.02256
356 6FTB M0E 9.04762
357 2VSS ACO 9.05797
358 1YC4 43P 9.09091
359 2VSU ACO 9.09091
360 1T57 FMN 9.2233
361 1T0S BML 9.30233
362 1F9P ESA ESA ESA 9.41177
363 5SYN 71T 9.52381
364 4RHE FMN 9.56938
365 3BJC WAN 9.60265
366 2HFN FMN 9.60265
367 3RMK BML 9.63855
368 6F5Z SAH 9.83607
369 2BHW LUX 9.91379
370 2AMV BIN 9.93377
371 4B5P ACO 10
372 1TIQ COA 10
373 3FON VAL ASN ASP ILE PHE GLU ALA ILE 10
374 3D78 NBB 10.084
375 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 10.101
376 1LRI CLR 10.2041
377 4U03 GTP 10.2649
378 4U03 TLL 10.2649
379 1TV5 N8E 10.3837
380 1TV5 A26 10.3837
381 5UC4 83S 10.4545
382 5KLP IHP 10.596
383 2XCM ADP 10.8108
384 5CX8 TG6 10.9272
385 4URL XAM 10.9272
386 1UVC STE 10.989
387 5LXT 7AK 11.2583
388 5LXT GDP 11.2583
389 3KP6 SAL 11.2583
390 6AYH C3G 11.2583
391 5FH7 5XL 11.2903
392 1WS1 BB2 11.5385
393 1CMC SAM 11.5385
394 2Y69 CHD 11.6279
395 6GL8 F3Q 11.6279
396 5OM2 DXT 11.6531
397 3GFZ FMN 11.9205
398 2Q1H AS4 12
399 2AIB ERG 12.2449
400 3NT6 COA 12.2517
401 4EHQ GBL 12.8378
402 2A06 SMA 12.9032
403 5MTE BB2 13.1387
404 3Q8G PEE 13.245
405 5KAU RHQ 13.3333
406 3ET1 ET1 13.4021
407 3AI3 SOE 13.6882
408 5X80 SAL 13.75
409 3GKJ HC3 14.2241
410 4URN NOV 14.6667
411 2VWA PTY 14.8515
412 5C2H 4PX 14.9007
413 6FA4 D1W 15.0289
414 5W97 CHD 15.2542
415 5Z84 PEK 15.2542
416 5ZCO PEK 15.2542
417 2DYS TGL 15.2542
418 5ZCO CHD 15.2542
419 2DYS PGV 15.2542
420 2DYR PEK 15.2542
421 2DYR TGL 15.2542
422 5Z84 TGL 15.2542
423 5ZCO TGL 15.2542
424 2DYS PEK 15.2542
425 2DYR PGV 15.2542
426 5Z84 PGV 15.2542
427 5ZCO PGV 15.2542
428 2DYS PSC 15.2542
429 6GMN F4E 15.3846
430 5V4R MGT 15.4321
431 5N1Z 8GQ 15.4472
432 5BV6 35G 15.7895
433 5N1X 8HH 16.1017
434 4OGQ 7PH 16.2162
435 1QV1 CZH 16.9231
436 1UCD URA 17.3684
437 1UCD U5P 17.3684
438 1JF0 CZH 18.4615
439 3B6C SDN 18.8034
440 2FKW RG1 18.8679
441 1U1B PAX 21.7742
442 1DTL BEP 23.6025
443 4R38 RBF 25
444 5K53 STE 27.4809
Pocket No.: 2; Query (leader) PDB : 4RW3; Ligand: PLM; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4RW3; Ligand: PLM; Similar sites found with APoc: 1
This union binding pocket(no: 3) in the query (biounit: 4rw3.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
1 6MPT C30 3.84615
Pocket No.: 4; Query (leader) PDB : 4RW3; Ligand: OCA; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4RW3; Ligand: SHV; Similar sites found with APoc: 259
This union binding pocket(no: 5) in the query (biounit: 4rw3.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 3E85 BSU None
2 4LWU 20U None
3 4NB5 2JT 0.662252
4 6F7L FAD 1.3245
5 4MKF AP5 1.38249
6 1EWF PC1 1.65563
7 1X6V ADP 1.65563
8 3QKD HI0 1.65746
9 4EHU ANP 1.81159
10 5X3R 7Y3 1.95122
11 5FPE 3TR 1.98676
12 3VGL ANP 1.98676
13 5OBY ANP 1.98676
14 5OBU ANP 1.98676
15 3H78 BE2 1.98676
16 4KWD JF2 1.98676
17 4PXL NAD 1.98676
18 3SP6 IL2 2.10526
19 5H3A D16 2.12014
20 3GZ9 D32 2.23048
21 2VZZ SCA 2.29358
22 4LY9 1YY 2.31788
23 4LY9 S6P 2.31788
24 2YPO PHE 2.31788
25 3UR0 SVR 2.31788
26 4OYA 1VE 2.31788
27 1YUC EPH 2.35294
28 1M7G AV2 2.36967
29 1M7G ADX 2.36967
30 3L0E G58 2.37154
31 3KFC 61X 2.37154
32 2OFW ADX 2.40385
33 3T03 3T0 2.46479
34 2P4Y C03 2.52708
35 1FCZ 156 2.55319
36 5TWO 7MV 2.57353
37 2P54 735 2.62172
38 5AR0 GB8 2.64901
39 3DST GRG 2.64901
40 5GUE GGS 2.64901
41 2XSU PIE 2.64901
42 6G3R ADP 2.64901
43 1DMH LIO 2.64901
44 2BUP ADP 2.64901
45 2BUP ATP 2.64901
46 2BIF SIN 2.64901
47 2BIF ANP 2.64901
48 6EJI UD2 2.64901
49 2X1L ADN 2.64901
50 5EE7 5MV 2.64901
51 5IKH 6BW 2.64901
52 1EBL COA 2.64901
53 5EXT ADP 2.69231
54 3PA8 621 2.75591
55 1I00 D16 2.75862
56 1I00 UMP 2.75862
57 3TMK T5A 2.77778
58 5JIC N7E 2.9304
59 5JIC ADP 2.9304
60 1GNI OLA 2.98013
61 3CGD NAD 2.98013
62 3CGD FAD 2.98013
63 4M52 M52 2.98013
64 5V49 8WA 2.98013
65 3NRR UMP 2.98013
66 4O6M C5P 2.98013
67 5X5U NAD 2.98013
68 2V7Y ADP 2.98013
69 3NRR D16 2.98013
70 3CGD COA 2.98013
71 3T31 FAD 2.98013
72 3T31 DCQ 2.98013
73 5LX9 OLB 2.98013
74 2AOT SAH 3.08219
75 5LOF 70R 3.0888
76 1M2Z BOG 3.11284
77 6BR8 6OU 3.1746
78 1IHU AF3 3.22581
79 1IHU ADP 3.22581
80 4PVV HO4 3.31126
81 5AK0 8V1 3.31126
82 4JNE ATP 3.31126
83 5EXW 7DT 3.31126
84 4EIL FOL 3.31126
85 5XDT ZI7 3.31126
86 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 3.34728
87 4GFD 0YB 3.41463
88 1JR8 FAD 3.4188
89 2DSA HPX 3.44828
90 2DSA GSH 3.44828
91 1XVB BHL BHL 3.52941
92 5G41 AP5 3.58744
93 4QVX 3CQ 3.59281
94 5Y0T TAT 3.64238
95 3QFU ADP 3.64238
96 5HR5 ADP 3.64238
97 5YPU ATP 3.64238
98 4B1X ATP 3.64238
99 4B1W ATP 3.64238
100 4H03 LAR 3.64238
101 4H03 ATP 3.64238
102 4B1V ATP 3.64238
103 4B1V LAB 3.64238
104 3MN5 ATP 3.64238
105 2FXU ATP 3.64238
106 2O07 SPD 3.64238
107 2O07 MTA 3.64238
108 4B1X LAB 3.64238
109 2XN5 FUN 3.64238
110 5ZZB ATP 3.64238
111 4PKI ATP 3.64238
112 1LNX URI 3.7037
113 3IA4 MTX 3.7037
114 1TMX HGX 3.75427
115 2YOH WMJ 3.80952
116 1F5N GNP 3.97351
117 5CJH 522 3.97351
118 5LJW ANP 3.97351
119 3LN0 52B 3.97351
120 4I6G FAD 3.97351
121 2HJ3 FAD 4
122 5LGA 6VH 4
123 5E7V M7E 4
124 2QE4 JJ3 4.03226
125 2QZO KN1 4.26357
126 1KDO C 4.30464
127 4G2R H1L 4.30464
128 4ZDJ UTP 4.30464
129 2WPW ACO 4.30464
130 2HHP FLC 4.30464
131 1FX8 BOG 4.30464
132 2ALG DAO 4.34783
133 3AB4 LYS 4.49438
134 4OKS 2T9 4.63576
135 4DP3 MMV 4.63576
136 3JZ4 NAP 4.63576
137 4IA6 EIC 4.63576
138 4CBU ATP 4.72441
139 1U3G THF 4.7619
140 1OQC FAD 4.8
141 6G5J EM8 4.84848
142 4BUZ OAD 4.87805
143 1MZC BNE 4.96689
144 1MZC FPP 4.96689
145 1NHX FTB 4.96689
146 2GMV UN8 4.96689
147 1HSK FAD 4.96689
148 3KFL ME8 4.96689
149 4KCF AKM 4.96689
150 4YDU ADP 5.06329
151 2VBU CDP 5.14706
152 4RYV ZEA 5.16129
153 2GMH UQ5 5.29801
154 3GYT DL4 5.32787
155 2FF6 ATP 5.33333
156 5ZBL AMP 5.41872
157 4R6W PC 5.42636
158 2Q97 ATP 5.42636
159 4CBX ATP 5.62914
160 2EVL GAL SPH EIC 5.74163
161 3MBG FAD 5.7554
162 1S8G DAO 5.78512
163 1JQ9 PHE LEU SER TYR LYS 5.78512
164 3IX9 MTX 5.78947
165 4HBM 0Y7 5.83333
166 5Y0N ATP 5.96026
167 4S15 4D8 5.96026
168 1N83 CLR 5.96026
169 3HOK Q80 6.00858
170 1QM5 PLP 6.03015
171 2AK3 AMP 6.19469
172 5Y0Q APC 6.29139
173 6B3V 7DQ 6.29139
174 6B3V ANP 6.29139
175 5OSW AE4 6.29139
176 5OSW DIU 6.29139
177 3ANP DAO 6.37255
178 3O55 FAD 6.4
179 2PAV ATP 6.47482
180 5OWC AYZ 6.55738
181 4YV5 SVR 6.55738
182 3GWL FAD 6.60377
183 1K6M AGS 6.62252
184 6AIX A3P 6.62252
185 4OR7 25U 6.66667
186 4OGN 2U5 6.66667
187 4WT2 3UD 6.66667
188 5HZ9 5M8 6.66667
189 1QF9 ALF 6.70103
190 1QF9 C5P 6.70103
191 1QF9 ADP 6.70103
192 4C3Y ANB 6.95364
193 4C3Y FAD 6.95364
194 3U5S FAD 7.14286
195 4ZBA GDS 7.17489
196 4OAS 2SW 7.29167
197 1DB1 VDX 7.33591
198 3KMR EQN 7.5188
199 3KMZ EQO 7.5188
200 4OKD GLC GLC GLC 7.61589
201 4XSU UDP 7.61589
202 4XSU GLC 7.61589
203 1EM6 NBG 7.61589
204 2V2V V12 7.74908
205 5A3B APR 7.94702
206 3IPQ 965 8
207 3BEJ MUF 8
208 2HW2 RFP 8.39161
209 1SR7 MOF 8.49421
210 4OAR 2S0 8.52713
211 1YMT DR9 8.53659
212 5OVK NDP 8.59375
213 5K7H IVC 8.65801
214 1D1G MTX 8.92857
215 3VET CP 8.9404
216 3VET TOY 8.9404
217 3VET ADP 8.9404
218 5HTX ADP 8.9404
219 1KAO GDP 8.98204
220 1F0X FAD 9.27152
221 2H92 C5P 9.58904
222 3G5N PB2 9.60265
223 5VGR GDP 9.60265
224 2C9O ADP 9.60265
225 3R5Z F42 9.65517
226 6BR9 6OU 9.93377
227 1YKI NFZ 10.1382
228 1YKI FMN 10.1382
229 4DHY S41 10.2649
230 5YEE ATP 10.2941
231 2CDN ADP 10.4478
232 3LDQ 3P1 10.5263
233 1HK8 DGT 10.596
234 3SJH ATP 11.1111
235 3SJH LAR 11.1111
236 1A2C 34H LEU PRJ OAR 11.1111
237 6GL8 F3Q 11.6279
238 2QWO ADP 11.9565
239 3JZB 4HY 11.985
240 5ZZA ATP 12.3967
241 2Q2Y ADP 12.5828
242 2Q2Y MKR 12.5828
243 2Y5D NAP 12.5828
244 5CYV WCA 13.0137
245 3ABA FLI 13.245
246 3ET1 ET1 13.4021
247 1Z83 AP5 13.7755
248 2JBZ COA 14.6853
249 5E95 GDP 14.881
250 3DDC GNP 15.0602
251 2DYR PEK 15.2542
252 5ZCO PEK 15.2542
253 5Z84 PEK 15.2542
254 5KDS A2G THR ALA PRO GLY GLY NAG SIA 15.894
255 4OGQ 7PH 16.2162
256 2GJ5 VD3 18.5185
257 3GWN FAD 20.1754
258 3U9Z ADP 25.8621
259 2O4J VD4 46.1538
Pocket No.: 6; Query (leader) PDB : 4RW3; Ligand: DKA; Similar sites found with APoc: 67
This union binding pocket(no: 6) in the query (biounit: 4rw3.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 5EP2 AZU 1.17188
2 4MKF AP5 1.38249
3 4GE6 B26 1.65563
4 5WX3 COA 1.65563
5 5KVA SAM 1.79856
6 4N49 SAM 1.98676
7 2CDC XYS 1.98676
8 2CDC NAP 1.98676
9 2CDC XYP 1.98676
10 2Y7I ARG 2.18341
11 1GTE FAD 2.31788
12 5C9P FUC 2.31788
13 2WTX UDP 2.31788
14 1FCZ 156 2.55319
15 2PRG BRL 2.58303
16 3G9E RO7 2.58303
17 3N26 ARG 2.84553
18 5ULP KB1 2.98507
19 5MZY 8EZ 3.01887
20 4IY7 KOU 3.31126
21 4L80 1VU 3.31126
22 6G1P CIT 3.31126
23 1O5E 132 3.50877
24 3UCJ AZM 3.52423
25 4NES UDP 3.64238
26 5JJR 68E 3.64238
27 4QMN DB8 3.64238
28 2HSA FMN 3.97351
29 1F8G NAD 3.97351
30 5CJH 522 3.97351
31 2QZO KN1 4.26357
32 2QA8 GEN 4.26357
33 4ZBR DIF 4.63576
34 4RZ3 ADP 4.96689
35 5J47 6JJ 4.96689
36 4KCF AKM 4.96689
37 3WYF GTP 5.02283
38 5UWU GNP 5.06329
39 3BPX SAL 5.40541
40 1SBZ FMN 5.58376
41 4XT8 NAP 5.81395
42 4XT8 TMQ 5.81395
43 2Q3O FMN 5.96026
44 1UPF URF 6.25
45 4D86 ADP 6.29139
46 3EYA FAD 6.29139
47 5WXH ALA ARG THR M3L GLN THR ALA 6.34921
48 1D4D FAD 6.95364
49 4YDQ ANP 6.95364
50 4YDQ HFG 6.95364
51 3C3Y SAH 7.173
52 1KEW NAD 7.61589
53 1B7Y FYA 7.61589
54 1P0Z FLC 7.63359
55 1PNO NAP 7.77778
56 2LBD REA 7.86517
57 5EOU ATP 8.60927
58 5X30 7XF 8.9404
59 5X30 4LM 8.9404
60 3FAL REA 9.02256
61 3LA3 2FT 9.0535
62 3R1V AZB 10.2362
63 3KP6 SAL 11.2583
64 5MY8 RXZ 11.9205
65 2ZCQ B65 13.245
66 5KQG 6VX 14.0449
67 2AKO ADP 17.9283
Pocket No.: 7; Query (leader) PDB : 4RW3; Ligand: DKA; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4RW3; Ligand: PLM; Similar sites found with APoc: 337
This union binding pocket(no: 8) in the query (biounit: 4rw3.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 5NTP 98E None
2 3E85 BSU None
3 1NU4 MLA None
4 4WG0 CHD None
5 4F4S EFO None
6 4V1F BQ1 None
7 1UO5 PIH None
8 4NB5 2JT 0.662252
9 5D9J 0N8 1.06952
10 1W2D 4IP 1.13208
11 5EP2 AZU 1.17188
12 4XB4 45D 1.31579
13 4I4B 1CV 1.3245
14 1R55 097 1.40187
15 5W8Q BU4 1.65563
16 5WX3 COA 1.65563
17 5TUX ECH 1.65563
18 5HGR 45D 1.65563
19 4V24 GYR 1.65563
20 2VAT COA 1.65563
21 3QKD HI0 1.65746
22 4E1M TQ2 1.80723
23 5CSD ACD 1.88679
24 5X3R 7Y3 1.95122
25 2EI4 22B 1.97628
26 1D6H COA 1.98676
27 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 1.98676
28 4ZW9 GLC 1.98676
29 4ZW9 BGC 1.98676
30 6HH6 A3R 1.98676
31 3ETG GLU 1.98676
32 3ETG NDP 1.98676
33 3ETG GTP 1.98676
34 5FPE 3TR 1.98676
35 5OBU ANP 1.98676
36 1M13 HYF 1.98676
37 5OBY ANP 1.98676
38 3ETG GWD 1.98676
39 3VVY ET 2.06186
40 5DCH 1YO 2.08333
41 4G86 BNT 2.11268
42 4R57 ACO 2.27273
43 1QCI ADE 2.29008
44 5J6A P46 2.31788
45 6EOF ADP 2.31788
46 4GNI ATP 2.31788
47 3HAD NAD 2.31788
48 6ASY ATP 2.31788
49 1MUU NAD 2.31788
50 4GV4 MEJ 2.31788
51 3I6I NDP 2.31788
52 4N4J HG1 2.31788
53 5AZC PGT 2.33333
54 1YUC EPH 2.35294
55 3WR7 COA 2.35294
56 1ZDU P3A 2.44898
57 5UNJ RJW 2.44898
58 6D28 NEC 2.5641
59 5TK8 7D5 2.57732
60 5CUQ NSC 2.62172
61 4H6Q TFB 2.64901
62 3JRX S1A 2.64901
63 6G3R ADP 2.64901
64 5AR0 GB8 2.64901
65 2BUP ATP 2.64901
66 2BUP ADP 2.64901
67 2PX6 DH9 2.64901
68 2OWZ CIT 2.64901
69 5KOR GDP 2.64901
70 3P5P A3C 2.64901
71 5HCV 60R 2.64901
72 2BIF BOG 2.64901
73 1W96 S1A 2.64901
74 1O6U PLM 2.64901
75 2QES ADE 2.68199
76 4XCL AGS 2.7027
77 3OLL EST 2.91667
78 4J24 EST 2.91667
79 1A05 IPM 2.98013
80 3HP9 CF1 2.98013
81 2D3M COA 2.98013
82 2V7Y ADP 2.98013
83 3NRR D16 2.98013
84 3NRR NAP 2.98013
85 3ZQE DXC 2.98013
86 2BCG GER 2.98013
87 2J7T 274 2.98013
88 4GCZ FMN 2.98013
89 5MBC FMN 2.98013
90 4URG C2E 2.99401
91 2GWH PCI 3.02013
92 3DBX PLM 3.0303
93 5NWI TYR PHE SER SEP ASN 3.05344
94 4BFW ZVW 3.14465
95 3BKR PLM 3.1746
96 5CFT 51G 3.24324
97 5CFT APC 3.24324
98 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 3.31126
99 3LOO B4P 3.31126
100 5EXW 7DT 3.31126
101 4JNE ATP 3.31126
102 5MZI FAD 3.31126
103 5MZI FYK 3.31126
104 4GFD 0YB 3.41463
105 4DL8 UMP AF3 PO4 3.44828
106 1XVB 3BR 3.52941
107 3KU0 ADE 3.58566
108 2FP2 TSA 3.61446
109 3QFU ADP 3.64238
110 1ZDT PEF 3.64238
111 5IM3 DTP 3.64238
112 5EK3 5PK 3.64238
113 4QJR PIZ 3.64238
114 1YQZ FAD 3.64238
115 4B1V LAB 3.64238
116 1BOB ACO 3.64238
117 2R40 20E 3.64238
118 4QMN DB8 3.64238
119 2XN5 FUN 3.64238
120 4H03 LAR 3.64238
121 4UDB CV7 3.67647
122 1H9G COA MYR 3.7037
123 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 3.7415
124 2Y31 SMQ 3.74532
125 2HPS CTZ 3.76344
126 1H0A I3P 3.79747
127 4QC6 30N 3.91061
128 2YLD CMO 3.93701
129 2ZPA ACO 3.97351
130 1ZED PNP 3.97351
131 1TIW TFB 3.97351
132 1TIW FAD 3.97351
133 4Q0A 4OA 3.97351
134 2WKQ FMN 3.97351
135 3ICT COA 3.97351
136 4U0I 0LI 3.97351
137 4I6G FAD 3.97351
138 6ANV MTT 3.97351
139 3ICS COA 3.97351
140 3LN0 52B 3.97351
141 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 4.0293
142 3AQT RCO 4.08163
143 3UST FAD 4.11985
144 1F7L COA 4.13223
145 5NM7 GLY 4.13534
146 3P0K FAD 4.13534
147 4A7W GTP 4.16667
148 4DR9 BB2 4.16667
149 6B2M COA 4.1958
150 1N46 PFA 4.26357
151 1R6N 434 4.2654
152 5L92 C0R 4.30464
153 3P7N FMN 4.30464
154 5VZ0 2BA 4.30464
155 1M2T ADE 4.33071
156 5EY0 GTP 4.37956
157 5UC9 MYR 4.42478
158 1N8V BDD 4.46429
159 2QZT PLM 4.5045
160 2FV5 541 4.5977
161 2Z6D FMN 4.61538
162 4ZBR DIF 4.63576
163 4ZBR NPS 4.63576
164 3A51 VDY 4.63576
165 2W90 6PG 4.63576
166 4IBF 1D5 4.65116
167 3T50 FMN 4.6875
168 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 4.74453
169 5OCA 9QZ 4.7619
170 3R9V DXC 4.8951
171 1KUK PCA LYS TRP 4.92611
172 5N26 CPT 4.94506
173 1V0C KNC 4.9505
174 1V0C ACO 4.9505
175 2ZKJ ADP 4.96689
176 2OO8 RAJ 4.96689
177 5BU2 ADP 4.96689
178 4B9Q ATP 4.96689
179 5N69 2OW 5.02513
180 4F4P 0SB 5.12821
181 4H07 IPH 5.19481
182 1UHK CZN 5.2356
183 2YI0 YI0 5.24017
184 2QXL ATP 5.29801
185 5OLK DTP 5.29801
186 4PJT 2YQ 5.29801
187 1PGP 6PG 5.29801
188 4R6W PC 5.42636
189 3QMN COA 5.42636
190 4JE7 BB2 5.58376
191 2FTB OLA 5.6
192 2BP1 FLC 5.62914
193 2D5Z L35 5.67376
194 4ETZ C2E 5.72391
195 5C0C ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 5.77617
196 2X4T ASN LEU VAL PRW MET VAL ALA THR VAL 5.81818
197 5JZI LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL 5.81818
198 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 5.81818
199 5F1R 42O 5.90717
200 5LPA 71R 5.92593
201 5LPA ATP 5.92593
202 5XNZ FUM 5.93047
203 5V3Y 5V8 5.94406
204 4S15 4D8 5.96026
205 1ZPD CIT 5.96026
206 3RS8 APR 5.96026
207 3FWN 6PG 5.96026
208 5U97 PIT 5.96026
209 1N83 CLR 5.96026
210 5AG3 3EB 5.96026
211 1MRH FMC 6.08365
212 3E70 GDP 6.09756
213 5DKK FMN 6.2069
214 2BNE U5P 6.22407
215 5OSW DIU 6.29139
216 5OSW AE4