-->
Receptor
PDB id Resolution Class Description Source Keywords
3VHZ 2.3 Å EC: 4.2.1.71 CRYSTAL STRUCTURE OF THE TRANS ISOMER OF THE L93A MUTANT OF BACTERIORHODOPSIN HALOBACTERIUM SEVEN TRANSMEMBRANE HELICES CELL MEMBRANE RETINAL PROTEINDRIVEN PROTON PUMP PROTON TRANSPORT
Ref.: CRYSTAL STRUCTURE OF THE O INTERMEDIATE OF THE LEU9 MUTANT OF BACTERIORHODOPSIN PROTEINS V. 80 2384 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
L2P GLC MAN SGA A:270;
Valid;
none;
submit data n/a n/a n/a n/a
RET A:250;
Invalid;
none;
submit data
284.436 C20 H28 O CC1=C...
SOG A:430;
Valid;
none;
submit data
308.434 C14 H28 O5 S CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VHZ 2.3 Å EC: 4.2.1.71 CRYSTAL STRUCTURE OF THE TRANS ISOMER OF THE L93A MUTANT OF BACTERIORHODOPSIN HALOBACTERIUM SEVEN TRANSMEMBRANE HELICES CELL MEMBRANE RETINAL PROTEINDRIVEN PROTON PUMP PROTON TRANSPORT
Ref.: CRYSTAL STRUCTURE OF THE O INTERMEDIATE OF THE LEU9 MUTANT OF BACTERIORHODOPSIN PROTEINS V. 80 2384 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3VI0 - SOG C14 H28 O5 S CCCCCCCCS[....
2 3VHZ - SOG C14 H28 O5 S CCCCCCCCS[....
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 3VI0 - SOG C14 H28 O5 S CCCCCCCCS[....
2 3VHZ - SOG C14 H28 O5 S CCCCCCCCS[....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3VI0 - SOG C14 H28 O5 S CCCCCCCCS[....
2 3VHZ - SOG C14 H28 O5 S CCCCCCCCS[....
3 2EI4 - 22B C50 H76 O4 CC(=C/C=C/....
4 2Z55 - 22B C50 H76 O4 CC(=C/C=C/....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: L2P GLC MAN SGA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: SOG; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 SOG 1 1
2 HTG 0.977273 1
3 10M 0.634921 0.911111
4 PTQ 0.47541 0.744186
5 MSX MAN 0.457627 0.75
6 BOG 0.45 0.883721
7 HSJ 0.45 0.883721
8 BNG 0.45 0.883721
9 B7G 0.433333 0.883721
10 KGM 0.433333 0.883721
11 AFO 0.423729 0.8
12 JZR 0.416667 0.860465
13 GLC HEX 0.416667 0.860465
14 BHG 0.416667 0.860465
15 IPT 0.415094 0.72093
16 1LL 0.411765 0.744186
17 TDG 0.411765 0.744186
18 YDR 0.409836 0.727273
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VHZ; Ligand: L2P GLC MAN SGA; Similar sites found with APoc: 84
This union binding pocket(no: 1) in the query (biounit: 3vhz.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 6BR8 6OU None
3 2VWA PTY None
4 4OAS 2SW None
5 1HBK MYR None
6 4LWU 20U None
7 3KO0 TFP None
8 5N8V KZZ None
9 1R6N 434 1.14504
10 1NF8 BOG 1.44928
11 6BR9 6OU 1.52672
12 4ZGM 32M 1.63934
13 5V4R MGT 1.85185
14 5IUY BOG 1.9084
15 2O1V ADP 1.9084
16 5CHR 4NC 2.18978
17 1TV5 N8E 2.29008
18 4G86 BNT 2.29008
19 4V2O CLQ 2.43902
20 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.67176
21 2RH1 CLR 2.67176
22 4OKD GLC GLC GLC 2.67176
23 2DPY ADP 2.67176
24 5HYR EST 2.71318
25 4MGA 27L 2.7451
26 4TV1 36M 2.78884
27 3CQL NDG 2.88066
28 3CQL NAG 2.88066
29 5AZC PGT 3.05344
30 2GWH PCI 3.05344
31 5FPN KYD 3.43511
32 2OG2 MLI 3.43511
33 1I0B PEL 3.81679
34 5UGW GSH 4
35 5VRH OLB 4.19847
36 5C1M OLC 4.19847
37 3X01 AMP 4.19847
38 3E70 GDP 4.19847
39 5C1M CLR 4.19847
40 4O4Z N2O 4.54545
41 4IA6 EIC 4.73773
42 6C1R EFD 4.73934
43 6B21 C9V 5.34351
44 4DE3 DN8 5.34351
45 5OLK DTP 5.34351
46 1Y7I SAL 5.34351
47 5IM3 DTP 5.34351
48 4IBF 1D5 5.42636
49 2BCG GER 5.72519
50 5E70 RCD 5.72519
51 6CB2 OLC 6.10687
52 1M2Z BOG 6.22568
53 3B6C SDN 6.41026
54 5W7B MYR 6.48855
55 1E4I NFG 6.48855
56 1ZED PNP 6.87023
57 4V3I ASP LEU THR ARG PRO 7.00389
58 1XVB 3BR 7.05882
59 5LWY OLB 7.25191
60 5LX9 OLB 7.25191
61 1LNX URI 7.40741
62 5M36 9SZ 7.42358
63 6BMS POV 7.63359
64 5OCA 9QZ 8.73016
65 3KPE TM3 9.80392
66 2WOR 2AN 10
67 5XJ7 87O 10.4478
68 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 10.4603
69 1T0S BML 11.6279
70 5C9J DAO 12.1212
71 2BHW NEX 12.2137
72 2HHP FLC 14.8855
73 4I67 G G G RPC 14.9425
74 4OGQ 1O2 17.2414
75 4OGQ 7PH 17.2414
76 4OGQ UMQ 17.2414
77 4OGQ SQD 17.2414
78 4OGQ 2WD 17.2414
79 2Y69 CHD 20
80 5W97 CHD 28.5714
81 5Z84 CHD 28.5714
82 5ZCO CHD 28.5714
83 5ZCO PEK 28.5714
84 4F4S EFO 32.8947
Pocket No.: 2; Query (leader) PDB : 3VHZ; Ligand: SOG; Similar sites found with APoc: 61
This union binding pocket(no: 2) in the query (biounit: 3vhz.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 1HBK MYR None
2 6BR8 6OU None
3 2VWA PTY None
4 5N8V KZZ None
5 1R6N 434 1.14504
6 1NF8 BOG 1.44928
7 3F8C HT1 1.5873
8 4ZGM 32M 1.63934
9 5V4R MGT 1.85185
10 5Y02 HBX 1.9084
11 5IUY BOG 1.9084
12 4G86 BNT 2.29008
13 1TV5 N8E 2.29008
14 5MWE TCE 2.46914
15 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.67176
16 2RH1 CLR 2.67176
17 4OKD GLC GLC GLC 2.67176
18 2OBM ADP 2.67176
19 5HYR EST 2.71318
20 4MGA 27L 2.7451
21 4TV1 36M 2.78884
22 5AZC PGT 3.05344
23 1XMY ROL 3.05344
24 3G58 988 3.05344
25 1XM4 PIL 3.05344
26 2OG2 MLI 3.43511
27 3B9Q MLI 3.43511
28 4WGF HX2 3.90244
29 5C1M OLC 4.19847
30 1JGS SAL 5.07246
31 6B21 C9V 5.34351
32 2BCG GER 5.72519
33 5E70 RCD 5.72519
34 1UUY PPI 5.98802
35 6CB2 OLC 6.10687
36 1M2Z BOG 6.22568
37 5W7B MYR 6.48855
38 1E4I NFG 6.48855
39 1DTL BEP 6.8323
40 1ZED PNP 6.87023
41 4V3I ASP LEU THR ARG PRO 7.00389
42 1XVB 3BR 7.05882
43 5LX9 OLB 7.25191
44 5LWY OLB 7.25191
45 5M36 9SZ 7.42358
46 6BMS POV 7.63359
47 4V1F BQ1 8.13953
48 5OCA 9QZ 8.73016
49 2WOR 2AN 10
50 5XJ7 87O 10.4478
51 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 10.4603
52 1T0S BML 11.6279
53 2BHW NEX 12.2137
54 2HHP FLC 14.8855
55 4OGQ 7PH 17.2414
56 4OGQ 1O2 17.2414
57 2Y69 CHD 20
58 5Z84 CHD 28.5714
59 5Z84 PGV 28.5714
60 5ZCO CHD 28.5714
61 4F4S EFO 32.8947
Pocket No.: 3; Query (leader) PDB : 3VHZ; Ligand: SOG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3vhz.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3VHZ; Ligand: SOG; 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: 3vhz.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback