Receptor
PDB id Resolution Class Description Source Keywords
5KAU 1.95 Å NON-ENZYME: OTHER THE STRUCTURE OF SAV2435 BOUND TO RHODAMINE 6G STAPHYLOCOCCUS AUREUS (STRAIN N315) GYRI-LIKE DOMATIN MULTI-DRUG RECOGNITION UNKNOWN FUNCTION
Ref.: SOLUTION BINDING AND STRUCTURAL ANALYSES REVEAL POT MULTIDRUG RESISTANCE FUNCTIONS FOR SAV2435 AND CTR1 OTHER GYRI-LIKE PROTEINS. BIOCHEMISTRY V. 55 4850 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:202;
A:203;
A:204;
A:205;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
RHQ A:201;
Valid;
none;
Kd = 0.3 uM
443.557 C28 H31 N2 O3 CCNc1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KAU 1.95 Å NON-ENZYME: OTHER THE STRUCTURE OF SAV2435 BOUND TO RHODAMINE 6G STAPHYLOCOCCUS AUREUS (STRAIN N315) GYRI-LIKE DOMATIN MULTI-DRUG RECOGNITION UNKNOWN FUNCTION
Ref.: SOLUTION BINDING AND STRUCTURAL ANALYSES REVEAL POT MULTIDRUG RESISTANCE FUNCTIONS FOR SAV2435 AND CTR1 OTHER GYRI-LIKE PROTEINS. BIOCHEMISTRY V. 55 4850 2016
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5KAT Kd = 78.7 uM P4P C24 H20 P c1ccc(cc1)....
2 5KCB Kd = 0.99 uM ET C21 H20 N3 CC[n+]1c2c....
3 5KAU Kd = 0.3 uM RHQ C28 H31 N2 O3 CCNc1cc2c(....
4 5KAW - P4P C24 H20 P c1ccc(cc1)....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5KAT Kd = 78.7 uM P4P C24 H20 P c1ccc(cc1)....
2 5KCB Kd = 0.99 uM ET C21 H20 N3 CC[n+]1c2c....
3 5KAU Kd = 0.3 uM RHQ C28 H31 N2 O3 CCNc1cc2c(....
4 5KAW - P4P C24 H20 P c1ccc(cc1)....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5KAT Kd = 78.7 uM P4P C24 H20 P c1ccc(cc1)....
2 5KCB Kd = 0.99 uM ET C21 H20 N3 CC[n+]1c2c....
3 5KAU Kd = 0.3 uM RHQ C28 H31 N2 O3 CCNc1cc2c(....
4 5KAW - P4P C24 H20 P c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RHQ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 RHQ 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KAU; Ligand: RHQ; Similar sites found: 54
This union binding pocket(no: 1) in the query (biounit: 5kau.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4O4Z N2O 0.01397 0.42763 None
2 5CHR 4NC 0.01914 0.40831 None
3 1ECM TSA 0.01548 0.4068 None
4 1OW4 2AN 0.00764 0.41753 1.55039
5 5EY0 GTP 0.009537 0.41287 2.42424
6 3SQP 3J8 0.002197 0.462 3.0303
7 3G58 988 0.003141 0.43617 3.0303
8 3SHZ 5CO 0.007138 0.41895 3.0303
9 4IA6 EIC 0.002553 0.45869 3.63636
10 2HHP FLC 0.0003768 0.4815 4.24242
11 5UGW GSH 0.001418 0.46901 4.24242
12 1M2Z BOG 0.01519 0.42606 4.24242
13 3G9E RO7 0.009111 0.41422 4.24242
14 5KDX GAL TNR 0.02751 0.40365 4.24242
15 4YC9 4C1 0.01245 0.40327 4.24242
16 4P6X HCY 0.01521 0.40285 4.24242
17 2OCI TYC 0.02504 0.40145 4.24242
18 2P41 G1G 0.01754 0.40844 4.84848
19 1ID0 ANP 0.01026 0.40724 4.84848
20 4WGF HX2 0.01892 0.40612 4.84848
21 1LNX URI 0.0108 0.4231 4.93827
22 2V57 PRL 0.01546 0.4174 5.26316
23 4UCC ZKW 0.02426 0.40823 5.45455
24 4COL DTP 0.008119 0.40432 5.45455
25 1J6W MET 0.02634 0.40207 5.45455
26 4ZGM 32M 0.001654 0.4745 5.7377
27 4HBM 0Y7 0.009368 0.41324 5.83333
28 5OCA 9QZ 0.0113 0.421 6.06061
29 1XMY ROL 0.004502 0.43343 6.66667
30 1XM4 PIL 0.005374 0.42049 6.66667
31 3H0A D30 0.009643 0.40546 6.66667
32 1XMU ROF 0.0103 0.40331 6.66667
33 1J78 OLA 0.04216 0.40241 6.66667
34 4OAS 2SW 0.001835 0.43778 7.29167
35 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.003124 0.45773 7.87879
36 5DHU 5A8 0.02012 0.4164 7.87879
37 3WCA FPS 0.01071 0.40342 7.87879
38 3HYW DCQ 0.01989 0.40137 7.87879
39 3CHT 4NB 0.03118 0.40062 7.87879
40 4LWU 20U 0.007928 0.40855 8.23529
41 2Z7I 742 0.005589 0.44967 9.09091
42 3RLF MAL 0.01324 0.41018 9.69697
43 3KDU NKS 0.001459 0.4649 10.303
44 3ET1 ET1 0.005561 0.40446 10.303
45 4EIL FOL 0.009924 0.40406 10.9091
46 4I67 G G G RPC 0.000823 0.46422 11.4943
47 1TV5 N8E 0.005831 0.44314 12.7273
48 4ORM FMN 0.04133 0.40471 12.7273
49 4ORM 2V6 0.04133 0.40471 12.7273
50 4ORM ORO 0.04133 0.40471 12.7273
51 4MGA 27L 0.00881 0.4312 15.7576
52 4MG9 27K 0.02195 0.40343 15.7576
53 5AZC PGT 0.01737 0.43074 16.9697
54 4YSX E23 0.01234 0.41625 16.9697
Feedback