Receptor
PDB id Resolution Class Description Source Keywords
1XVB 1.8 Å EC: 1.14.13.25 SOLUBLE METHANE MONOOXYGENASE HYDROXYLASE: 6-BROMOHEXANOL SO STRUCTURE METHYLOCOCCUS CAPSULATUS METHANE DIIRON CAVITIES PRODUCTS FOUR-HELIX BUNDLE OXIDOREDUCTASE
Ref.: PRODUCT BOUND STRUCTURES OF THE SOLUBLE METHANE MONOOXYGENASE HYDROXYLASE FROM METHYLOCOCCUS CAPSUL (BATH): PROTEIN MOTION IN THE ALPHA-SUBUNIT J.AM.CHEM.SOC. V. 127 5814 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3BR C:1208;
C:1213;
Valid;
Valid;
none;
none;
submit data
122.992 C3 H7 Br CCCBr
BBU A:1209;
Valid;
none;
submit data
137.018 C4 H9 Br CCCCB...
BBX B:1204;
Valid;
none;
submit data
108.965 C2 H5 Br CCBr
BHL A:1203;
A:1206;
A:1207;
B:1201;
B:1202;
B:1205;
B:1211;
B:1212;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
181.071 C6 H13 Br O C(CCC...
BHL BHL A:1200;
Valid;
none;
submit data
181.073 n/a BrCCC...
CA C:1174;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
FE A:1170;
A:1171;
B:1172;
B:1173;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XVB 1.8 Å EC: 1.14.13.25 SOLUBLE METHANE MONOOXYGENASE HYDROXYLASE: 6-BROMOHEXANOL SO STRUCTURE METHYLOCOCCUS CAPSULATUS METHANE DIIRON CAVITIES PRODUCTS FOUR-HELIX BUNDLE OXIDOREDUCTASE
Ref.: PRODUCT BOUND STRUCTURES OF THE SOLUBLE METHANE MONOOXYGENASE HYDROXYLASE FROM METHYLOCOCCUS CAPSUL (BATH): PROTEIN MOTION IN THE ALPHA-SUBUNIT J.AM.CHEM.SOC. V. 127 5814 2005
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1XU3 - BML C6 H5 Br O c1cc(ccc1O....
2 1XVD - FPN C6 H5 F O c1cc(ccc1O....
3 1XVG - BRJ C2 H5 Br O C(CBr)O
4 1XU5 - IPH C6 H6 O c1ccc(cc1)....
5 1XVE - 3BB C4 H7 Br O C=C(CCO)Br
6 1XVC - BMM C H3 Br CBr
7 1XVF - 3CL C3 H7 Cl O C(CO)CCl
8 1XVB - BBU C4 H9 Br CCCCBr
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1XU3 - BML C6 H5 Br O c1cc(ccc1O....
2 1XVD - FPN C6 H5 F O c1cc(ccc1O....
3 1XVG - BRJ C2 H5 Br O C(CBr)O
4 1XU5 - IPH C6 H6 O c1ccc(cc1)....
5 1XVE - 3BB C4 H7 Br O C=C(CCO)Br
6 1XVC - BMM C H3 Br CBr
7 1XVF - 3CL C3 H7 Cl O C(CO)CCl
8 1XVB - BBU C4 H9 Br CCCCBr
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1XU3 - BML C6 H5 Br O c1cc(ccc1O....
2 1XVD - FPN C6 H5 F O c1cc(ccc1O....
3 1XVG - BRJ C2 H5 Br O C(CBr)O
4 1XU5 - IPH C6 H6 O c1ccc(cc1)....
5 1XVE - 3BB C4 H7 Br O C=C(CCO)Br
6 1XVC - BMM C H3 Br CBr
7 1XVF - 3CL C3 H7 Cl O C(CO)CCl
8 1XVB - BBU C4 H9 Br CCCCBr
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3BR; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 3BR 1 1
2 BBU 0.583333 0.8
3 BBX 0.555556 0.75
4 5BR 0.5 0.666667
Ligand no: 2; Ligand: BBU; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 BBU 1 1
2 5BR 0.714286 0.833333
3 3BR 0.583333 0.8
4 LNK 0.5 0.636364
5 BBX 0.416667 0.6
Ligand no: 3; Ligand: BBX; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 BBX 1 1
2 3BR 0.555556 0.75
3 BBU 0.416667 0.6
Ligand no: 4; Ligand: BHL; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 BHL 1 1
2 BHL BHL 1 1
3 BDD 0.944444 1
4 HEZ 0.588235 0.809524
5 ODI 0.555556 0.809524
6 HE4 0.416667 0.666667
7 O8N 0.4 0.666667
8 PL3 0.4 0.666667
9 OC9 0.4 0.666667
10 F09 0.4 0.666667
11 DE1 0.4 0.666667
12 1DO 0.4 0.666667
Ligand no: 5; Ligand: BHL BHL; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 BHL 1 1
2 BHL BHL 1 1
3 BDD 0.944444 1
4 HEZ 0.588235 0.809524
5 ODI 0.555556 0.809524
6 HE4 0.416667 0.666667
7 O8N 0.4 0.666667
8 PL3 0.4 0.666667
9 OC9 0.4 0.666667
10 F09 0.4 0.666667
11 DE1 0.4 0.666667
12 1DO 0.4 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XVB; Ligand: BHL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1xvb.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1XVB; Ligand: BBU; Similar sites found: 11
This union binding pocket(no: 2) in the query (biounit: 1xvb.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3AFN NAP 0.006059 0.42271 3.87597
2 1B8U OAA 0.02157 0.40217 5.16717
3 3C3Y SAH 0.01606 0.40155 5.48523
4 3PJU C2E 0.001046 0.48636 5.62249
5 3AYI FAD 0.005607 0.40195 7.21063
6 3AYI HCI 0.005752 0.40195 7.21063
7 2NVA PL2 0.006669 0.40498 8.82353
8 2PID YSA 0.02672 0.40426 8.98876
9 2C1P FNZ 0.009416 0.40959 9.21659
10 2PTR 2SA 0.02918 0.40537 11.7647
11 3JRS A8S 0.009271 0.44164 17.7885
Pocket No.: 3; Query (leader) PDB : 1XVB; Ligand: BBX; Similar sites found: 18
This union binding pocket(no: 3) in the query (biounit: 1xvb.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3TKY N7I 0.0027 0.41432 4.70588
2 4OKZ 3E9 0.03679 0.40734 6.47059
3 2VL8 CTS 0.003662 0.42048 7.05882
4 2VL8 UDP 0.006294 0.40876 7.05882
5 2JK0 ASP 0.006691 0.41122 8.30769
6 1AG9 FMN 0.008136 0.41736 8.57143
7 1MI3 NAD 0.03045 0.41125 10
8 5VZ0 2BA 0.02199 0.41283 10.0257
9 1NZY BCA 0.0001697 0.51844 11.5242
10 5WRJ A3P 0.01977 0.40472 11.5512
11 2W2X GSP 0.03301 0.40836 12.0968
12 2PX6 DH9 0.004914 0.43554 12.3418
13 5C8W PCG 0.001376 0.40168 12.5874
14 3R1V AZB 0.004468 0.43293 13.3858
15 2PZM UDP 0.04647 0.42037 14.1176
16 2PZM NAD 0.04647 0.42037 14.1176
17 4EKQ NPO 0.005692 0.44244 15.2941
18 4NKW PLO 0.001532 0.40286 17.6471
Pocket No.: 4; Query (leader) PDB : 1XVB; Ligand: 3BR; Similar sites found: 187
This union binding pocket(no: 4) in the query (biounit: 1xvb.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1P0H ACO 0.01126 0.45085 2.94118
2 4DV8 0LX 0.01374 0.4248 2.94118
3 3E2M E2M 0.04396 0.41335 2.94118
4 3KMZ EQO 0.004173 0.44212 3.38346
5 4RW3 PLM 0.01767 0.41262 3.52941
6 3P0K FAD 0.02065 0.40158 3.7594
7 5MFI LYS ARG LYS ARG LYS ARG LYS ARG 0.01206 0.44986 4.11523
8 4KCF AKM 0.003849 0.43917 4.11765
9 3AHQ FAD 0.009349 0.41854 4.11765
10 2W90 6PG 0.01336 0.414 4.11765
11 5DB3 58Q 0.0196 0.40269 4.37018
12 4NAT ADP 0.02637 0.43869 4.375
13 4DR9 BB2 0.01175 0.4025 4.6875
14 2HKJ RDC 0.002575 0.45408 4.70588
15 3VRV YSD 0.01185 0.43954 4.70588
16 1DB1 VDX 0.008055 0.43438 4.70588
17 5IR4 ZPE 0.01272 0.43356 4.70588
18 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.01494 0.41575 4.70588
19 4RC8 STE 0.003344 0.44046 4.95496
20 1V1A ADP 0.01521 0.40119 5.17799
21 4OYA 1VE 0.02532 0.43096 5.39846
22 3KFC 61X 0.006899 0.43781 5.5336
23 3L0E G58 0.008156 0.42758 5.5336
24 4UCC ZKW 0.003688 0.44216 5.5794
25 2UUU PL3 0.03874 0.41832 5.65553
26 2UUU FAD 0.0326 0.41832 5.65553
27 1QF9 C5P 0.04024 0.40165 5.6701
28 2Q2Y ADP 0.003934 0.45717 5.72207
29 2Q2Y MKR 0.00375 0.45717 5.72207
30 3LEO GSH 0.009527 0.41097 5.80645
31 1GEG GLC 0.006693 0.43342 5.88235
32 3G5D 1N1 0.04712 0.41103 6.29371
33 1TV5 N8E 0.009892 0.41048 6.32054
34 2GFD RDA 0.01121 0.41624 6.35593
35 3B6C SDN 0.006887 0.41824 6.41026
36 2J07 FAD 0.04647 0.40926 6.42674
37 4PJT 2YQ 0.004213 0.44613 6.47059
38 5AZC PGT 0.02824 0.43603 6.47059
39 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.01862 0.41584 6.47059
40 3IS2 FAD 0.01978 0.40959 6.49351
41 5V3Y 5V8 0.004689 0.4166 6.64336
42 2BJ4 OHT 0.001867 0.44909 6.74603
43 1PS9 FAD 0.0288 0.41486 6.83112
44 1GNI OLA 0.013 0.48339 7.05882
45 1RX0 2MC 0.007596 0.42767 7.05882
46 3VHZ L2P GLC MAN SGA 0.02371 0.4202 7.05882
47 3VHZ SOG 0.02164 0.4196 7.05882
48 5U98 1KX 0.03442 0.42114 7.07071
49 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 0.01908 0.41289 7.07071
50 4XB4 45D 0.002485 0.44678 7.23684
51 1N46 PFA 0.02414 0.40257 7.36434
52 5UGW GSH 0.003419 0.43876 7.42857
53 1NHZ 486 0.007213 0.42408 7.5
54 3BQD DAY 0.0007295 0.4709 7.84314
55 3GWT 066 0.01759 0.41589 7.93201
56 2Q1H AS4 0.01033 0.41118 8
57 4ZOM 4Q3 0.01346 0.40176 8
58 4LSJ LSJ 0.008539 0.41879 8.13953
59 1M2Z BOG 0.0002569 0.50201 8.17121
60 4YV5 SVR 0.03689 0.44136 8.19672
61 3GYT DL4 0.007712 0.42428 8.19672
62 4B7P 9UN 0.003361 0.46671 8.23529
63 3HR1 PF9 0.007607 0.42125 8.23529
64 4IVG ANP 0.0103 0.41807 8.23529
65 1YC4 43P 0.005327 0.41648 8.23529
66 2YJD YJD 0.002232 0.40651 8.23529
67 4DM8 REA 0.004417 0.43453 8.2397
68 1IID NHM 0.03464 0.40885 8.29384
69 2A3I C0R 0.01264 0.41045 8.3004
70 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.01842 0.41495 8.48329
71 1T27 PCW 0.01778 0.42591 8.48709
72 1YYE 196 0.005158 0.41948 8.58209
73 3MBG FAD 0.01305 0.41595 8.63309
74 5MWE TCE 0.01066 0.40888 8.64198
75 3EE4 MYR 0.006033 0.42617 8.66873
76 1NF8 BOG 0.0007738 0.48268 8.69565
77 2O1V ADP 0.00344 0.42287 8.74036
78 4F4P 0SB 0.02891 0.42462 8.82353
79 4P6X HCY 0.01662 0.40293 8.82353
80 2I0G I0G 0.01016 0.44471 8.94942
81 2WOR 2AN 0.0007203 0.41412 9
82 1FCH TYR GLN SER LYS LEU 0.006685 0.43044 9.23913
83 1FCZ 156 0.002006 0.4531 9.3617
84 1YOK P6L 0.003738 0.45498 9.375
85 4TV1 36M 0.0006658 0.46822 9.41177
86 2QZO KN1 0.005448 0.42463 9.41177
87 2QA8 GEN 0.005058 0.41987 9.41177
88 3UUD EST 0.005572 0.41788 9.41177
89 5VRH OLB 0.009186 0.41554 9.41177
90 4MG7 27H 0.007976 0.41468 9.41177
91 1YUC EPH 0.0132 0.41425 9.41177
92 4MGB XDH 0.009233 0.41163 9.41177
93 4TUZ 36J 0.003884 0.41138 9.41177
94 4MGD 27N 0.004436 0.40094 9.41177
95 4MG8 27J 0.004422 0.4007 9.41177
96 5DXE EST 0.004518 0.40063 9.41177
97 1OLM VTQ 0.02837 0.40038 9.41177
98 3WGT FAD 0.02524 0.42282 9.51009
99 3WGT QSC 0.02637 0.42255 9.51009
100 3OLL EST 0.007696 0.41338 9.58333
101 3O55 FAD 0.02119 0.40542 9.6
102 4I4B 1CV 0.03195 0.40586 9.76864
103 5APJ 76E 0.0115 0.42278 10
104 5E7V M7E 0.01235 0.42122 10
105 2YNC YNC 0.02675 0.4109 10
106 2VK4 TPP 0.02429 0.40244 10
107 5XDT ZI7 0.02479 0.40334 10.0649
108 5B4B LP5 0.004292 0.44436 10.0806
109 3EWK FAD 0.01551 0.40264 10.1322
110 1GHE ACO 0.008994 0.42098 10.1695
111 3L9R L9R 0.02806 0.40772 10.2041
112 3L9R L9Q 0.03223 0.40461 10.2041
113 5CHR 4NC 0.009668 0.41557 10.219
114 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 0.01331 0.43064 10.3448
115 1SR7 MOF 0.005579 0.44126 10.5882
116 3D9F FAD 0.02538 0.42492 10.5882
117 3ZNN 4WL 0.04172 0.41656 10.5882
118 3ZNN FAD 0.04172 0.41656 10.5882
119 1N4H REA 0.004938 0.43216 10.8108
120 3ET3 ET1 0.00288 0.43996 10.9589
121 2E2R 2OH 0.006814 0.44045 11.0656
122 2VHW NAI 0.03971 0.40293 11.1406
123 3T03 3T0 0.01179 0.40452 11.2676
124 2HFP NSI 0.003892 0.43893 11.3475
125 1JXZ BCA 0.03059 0.4 11.5242
126 5OCA 9QZ 0.0002356 0.5182 11.7647
127 3FUR Z12 0.02043 0.42532 11.7647
128 3G9E RO7 0.00222 0.46414 11.8081
129 2PRG BRL 0.01109 0.4078 11.8081
130 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.003309 0.44068 11.8421
131 4F4S EFO 0.01588 0.4003 11.8421
132 2PX6 DH9 0.009734 0.40851 12.3418
133 1YMT DR9 0.01049 0.42347 12.3529
134 3RDE OYP 0.01457 0.40906 12.3529
135 4IS0 1R4 0.01073 0.41559 12.4481
136 5NE2 DGL 0.01082 0.41353 12.5899
137 1L6O SER LEU LYS LEU MET THR THR VAL 0.01379 0.4051 12.6316
138 2CB8 MYA 0.01 0.4145 12.6437
139 4URN NOV 0.01827 0.40039 12.8889
140 3BEJ MUF 0.002262 0.44878 12.9412
141 3DCT 064 0.003751 0.44135 12.9412
142 3EYA TDP 0.01475 0.4133 12.9412
143 4OUJ LBT 0.01511 0.40018 12.9412
144 1XZ3 ICF 0.002614 0.46894 13.2184
145 3R1V AZB 0.01914 0.40474 13.3858
146 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.0364 0.41031 13.5294
147 3ET1 ET1 0.005725 0.4216 13.7457
148 3SP6 IL2 0.002461 0.44128 14.0351
149 1DKF OLA 0.001918 0.43982 14.1176
150 1DKF BMS 0.004735 0.43305 14.1176
151 1BGQ RDC 0.01574 0.41326 14.1176
152 4PFC 2QX 0.02561 0.40128 14.1176
153 1UBY DMA 0.01535 0.40099 14.1176
154 2BW7 ECS 0.02236 0.42564 14.1553
155 2BW7 APC 0.03205 0.41944 14.1553
156 3KDU NKS 0.01356 0.43643 14.4404
157 1XIU REA 0.001263 0.45309 14.7059
158 1FM9 9CR 0.003464 0.43607 14.7059
159 3FAL REA 0.00249 0.43445 14.7059
160 1FM9 570 0.007389 0.43379 14.7059
161 3H0A 9RA 0.003653 0.433 14.7059
162 4POJ 2VP 0.005179 0.43281 14.7059
163 3FAL LO2 0.008991 0.43073 14.7059
164 1RDT L79 0.004535 0.43039 14.7059
165 3H0A D30 0.01528 0.41391 14.7059
166 1OQC FAD 0.0154 0.40943 15.2
167 2J1P GRG 0.002342 0.44804 15.6997
168 4NB5 2JT 0.003732 0.43256 16.3743
169 5KOR GDP 0.01531 0.40468 16.4706
170 1M13 HYF 0.007012 0.43621 17.6471
171 4ZBR NPS 0.007901 0.43358 18.2353
172 4ZBR DIF 0.02319 0.4109 18.2353
173 1N83 CLR 0.006001 0.43124 18.8235
174 2P1C GG3 0.009593 0.42676 19.4118
175 3V49 PK0 0.007694 0.42589 19.4118
176 2AX9 BHM 0.01864 0.423 19.4118
177 5EW9 5VC 0.008911 0.47176 20
178 5N8V KZZ 0.004675 0.40861 20.2899
179 1UO5 PIH 0.01238 0.42748 20.5882
180 2Q8H TF4 0.008499 0.41346 21.1765
181 3WYJ H78 0.0256 0.43131 21.3439
182 2D5Z L35 0.03044 0.4332 22.6027
183 2VWA PTY 0.005411 0.4342 22.7723
184 5V4R MGT 0.003675 0.44949 23.4568
185 1L0I PSR 0.0212 0.4001 25.641
186 4XIZ LPP 0.03449 0.40201 25.7143
187 2XN5 FUN 0.00481 0.41608 28.5714
Pocket No.: 5; Query (leader) PDB : 1XVB; Ligand: 3BR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1xvb.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1XVB; Ligand: BHL; Similar sites found: 81
This union binding pocket(no: 6) in the query (biounit: 1xvb.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3P7G MAN 0.0248 0.41259 4.10959
2 3GQT UFO 0.02736 0.40974 4.26065
3 4CCW VKC 0.01549 0.4252 4.34783
4 2PJL 047 0.008787 0.41411 4.45344
5 4RC8 STE 0.000008028 0.42736 4.95496
6 2HJR CIT 0.04858 0.40368 5.18293
7 4DK7 0KS 0.005604 0.42948 5.26316
8 4O1Z MXM 0.01667 0.40161 5.39846
9 5FQK 6NT 0.01607 0.43539 5.88235
10 4WX0 HXD 0.0192 0.4107 5.88235
11 2ZL4 ALA ALA ALA ALA 0.04637 0.40954 5.88235
12 2PFC PLM 0.01699 0.42032 6.01093
13 3G4Q MCH 0.02933 0.40819 6.16438
14 5B25 4QJ 0.008785 0.42725 6.21302
15 1TV5 N8E 0.0442 0.4119 6.32054
16 3W54 RNB 0.01746 0.40948 6.38298
17 1J78 VDY 0.02646 0.41792 6.42674
18 1J78 OLA 0.02768 0.40251 6.42674
19 3ZPG 5GP 0.0233 0.42364 6.80628
20 4DOL PLM 0.01184 0.41755 6.91244
21 4XCP PLM 0.04433 0.40699 7.05882
22 1XMU ROF 0.024 0.40922 7.19794
23 5XNA SHV 0.003858 0.47409 7.24638
24 1S9D AFB 0.04562 0.40162 7.31707
25 4PGK Y69 0.00005505 0.44959 7.37705
26 5UGW GSH 0.005625 0.42999 7.42857
27 5G5W R8C 0.005621 0.40856 7.5
28 5HCN DAO 0.03797 0.41336 7.64706
29 2B4B B33 0.04793 0.40811 7.64706
30 3HYW DCQ 0.01603 0.4347 8.13953
31 4UHF BUA 0.03048 0.40086 8.15603
32 1M2Z BOG 0.0474 0.42781 8.17121
33 3ZJQ NCA 0.04271 0.4003 8.20513
34 5J32 IPM 0.02794 0.42176 8.23529
35 4RQL SNE 0.03209 0.41341 8.23529
36 5XCZ GLC BGC 0.04921 0.40337 8.23529
37 3V99 ACD 0.04051 0.40304 8.23529
38 5EDE 5M6 0.04051 0.40097 8.23529
39 4YMU ARG 0.008911 0.44995 8.33333
40 5MWE TCE 0.04321 0.41024 8.64198
41 3EE4 MYR 0.0000572 0.40417 8.66873
42 1NF8 BOG 0.04094 0.41471 8.69565
43 2Z9I GLY ALA THR VAL 0.002859 0.47351 9.41177
44 3PF7 MLA 0.0004481 0.43262 9.41177
45 4TV1 36M 0.0324 0.41716 9.41177
46 3UUA 0CZ 0.02378 0.40941 9.41177
47 5C9J DAO 0.03438 0.40811 9.41177
48 3SQP 3J8 0.03853 0.40978 10
49 5CHR 4NC 0.0017 0.48829 10.219
50 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.04389 0.40251 10.4762
51 4ZSI 4R1 0.0313 0.4003 10.5263
52 5K53 STE 0.00006073 0.51572 10.687
53 3KYQ DPV 0.03774 0.41351 11.5578
54 2UXI G50 0.02122 0.40244 12.381
55 5GQX GLC GLC GLC 0.003981 0.43005 12.5964
56 4INW 1EY 0.01627 0.41095 12.8571
57 5ICK FEZ 0.006206 0.42741 12.9412
58 3WBG 2AN 0.01793 0.41215 13.0719
59 5XJN 88L 0.01811 0.4189 13.5294
60 5K52 OCD 0.00006689 0.50893 13.5849
61 1G27 BB1 0.01641 0.40768 13.6905
62 1K7L 544 0.005347 0.41485 13.8889
63 4BNU 9KQ 0.004599 0.42357 14.7059
64 3G5K BB2 0.02993 0.4044 14.7541
65 5LWY OLB 0.009174 0.43003 14.9533
66 1S17 GNR 0.01389 0.41108 15
67 2QCX PF1 0.03866 0.41337 15.2941
68 4UY1 TJM 0.01049 0.43098 16.7939
69 2QQD AG2 0.04973 0.40685 16.9811
70 4Q86 AMP 0.02769 0.4061 18.8235
71 5KEW 6SB 0.01653 0.42887 19.1489
72 5N18 8HZ 0.00959 0.452 19.2661
73 3Q2H QHF 0.02191 0.40179 22.3529
74 2VWA PTY 0.003385 0.47524 22.7723
75 1N9L FMN 0.01194 0.41415 22.9358
76 5V4R MGT 0.02657 0.40963 23.4568
77 5MES 7LT 0.01016 0.43168 24.0741
78 3CXH SMA 0.001953 0.42738 24.6154
79 2XN5 FUN 0.02322 0.41706 28.5714
80 1T0S BML 0.003909 0.45439 28.7149
81 3RET SAL 0.01572 0.41839 32.6733
Pocket No.: 7; Query (leader) PDB : 1XVB; Ligand: BHL; 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: 1xvb.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1XVB; Ligand: BHL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1xvb.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1XVB; Ligand: BHL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1xvb.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1XVB; Ligand: BHL BHL; Similar sites found: 54
This union binding pocket(no: 10) in the query (biounit: 1xvb.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GAW FAD 0.01913 0.40949 2.86624
2 1QFY NAP 0.04921 0.40983 2.94118
3 1QFY FAD 0.04921 0.40983 2.94118
4 1BYG STU 0.01826 0.40026 3.23741
5 4RW3 SHV 0.004311 0.41812 3.52941
6 4YNM SAM 0.02623 0.40012 3.9823
7 5FIT AP2 0.01245 0.41672 4.08163
8 5LI1 ANP 0.01398 0.41167 4.11765
9 2J83 BAT 0.01717 0.41132 4.11765
10 4GLL NAD 0.0383 0.40558 4.1543
11 1V59 NAD 0.006948 0.42613 4.37018
12 4K33 ACP 0.0274 0.40386 5.23077
13 1QG6 TCL 0.03707 0.41751 5.29412
14 1QG6 NAD 0.03707 0.41751 5.29412
15 3D2M COA 0.03805 0.40468 5.29412
16 2RIO ADP 0.01725 0.40509 5.29954
17 2Q6B HR2 0.02037 0.44958 5.39846
18 2NXW TPP 0.008514 0.4415 5.39846
19 3DCJ THH 0.009043 0.4152 5.5814
20 2RHW C0E 0.03788 0.40028 5.65371
21 2YAB AMP 0.006785 0.43653 5.81717
22 1OJZ NAD 0.01968 0.41015 5.88235
23 1N62 MCN 0.02612 0.41824 6.25
24 1XNG DND 0.02696 0.40826 6.34328
25 3TKA SAM 0.007994 0.43157 6.47059
26 5U1M ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.0139 0.4137 6.66667
27 2J4D FAD 0.02339 0.41545 7.05882
28 2YK7 CSF 0.02299 0.405 7.05882
29 5H5J FAD 0.02297 0.4114 7.2165
30 5G5G MCN 0.0323 0.41038 7.86026
31 1FRB ZST 0.04096 0.41638 8.23529
32 4WB6 ATP 0.01323 0.41548 8.23529
33 4L2I NAD 0.02295 0.43153 8.3815
34 3KCC CMP 0.02652 0.40266 8.82353
35 4D42 NAP 0.006392 0.46198 9.92908
36 4D42 W0I 0.006392 0.46198 9.92908
37 2VK4 TPP 0.03018 0.40088 10
38 3D78 NBB 0.03035 0.40013 10.084
39 3A7R LAQ 0.03892 0.41168 10.3858
40 1SM4 FAD 0.02138 0.40842 10.5882
41 3V8S 0HD 0.01515 0.41303 10.7317
42 4TTS 6DD 0.02284 0.40788 11.0063
43 1U5R ATP 0.002897 0.45303 11.1765
44 3MHP FAD 0.02597 0.40809 11.5385
45 5M8T 0TR 0.01306 0.4035 12.3529
46 3E1T FAD 0.02901 0.41795 12.5237
47 5IUC SIA GAL A2G 0.0159 0.40377 13.3858
48 3FHI ANP 0.01155 0.42399 13.5294
49 2QCS ANP 0.0231 0.40113 13.5294
50 4JWH SAH 0.03413 0.40485 14.1176
51 3VO1 FAD 0.02211 0.40857 15.2941
52 4FG8 ATP 0.0159 0.41609 19.0476
53 1XS1 DUT 0.03631 0.40006 19.4118
54 3RET PYR 0.01267 0.40444 32.6733
Pocket No.: 11; Query (leader) PDB : 1XVB; Ligand: BHL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 1xvb.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1XVB; Ligand: BHL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 1xvb.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 1XVB; Ligand: BHL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 1xvb.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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