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Receptor
PDB id Resolution Class Description Source Keywords
2VPN 1.55 Å NON-ENZYME: BINDING HIGH-RESOLUTION STRUCTURE OF THE PERIPLASMIC ECTOINE- BINDING PROTEIN FROM TEAABC TRAP-TRANSPORTER OF HALOMONAS E LONGATA HALOMONAS ELONGATA ECTOINE HYDROXYECTOINE TRAP-TRANSPORTER PERIPLASMIC BINDING PROTEIN TRANSPORT
Ref.: 1.55 A STRUCTURE OF THE ECTOINE BINDING PROTEIN TEAA OF THE OSMOREGULATED TRAP-TRANSPORTER TEAABC FROM HALOMONAS ELONGATA. BIOCHEMISTRY V. 47 9475 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4CS A:1311;
B:1311;
Valid;
Valid;
none;
none;
Kd = 0.19 uM
142.156 C6 H10 N2 O2 CC1=N...
MG A:1312;
A:1313;
A:1314;
A:1315;
B:1312;
B:1313;
B:1314;
B:1315;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VPN 1.55 Å NON-ENZYME: BINDING HIGH-RESOLUTION STRUCTURE OF THE PERIPLASMIC ECTOINE- BINDING PROTEIN FROM TEAABC TRAP-TRANSPORTER OF HALOMONAS E LONGATA HALOMONAS ELONGATA ECTOINE HYDROXYECTOINE TRAP-TRANSPORTER PERIPLASMIC BINDING PROTEIN TRANSPORT
Ref.: 1.55 A STRUCTURE OF THE ECTOINE BINDING PROTEIN TEAA OF THE OSMOREGULATED TRAP-TRANSPORTER TEAABC FROM HALOMONAS ELONGATA. BIOCHEMISTRY V. 47 9475 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2VPO Kd = 3.8 uM 6CS C6 H10 N2 O3 CC1=N[C@@H....
2 2VPN Kd = 0.19 uM 4CS C6 H10 N2 O2 CC1=N[C@@H....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 2VPO Kd = 3.8 uM 6CS C6 H10 N2 O3 CC1=N[C@@H....
2 2VPN Kd = 0.19 uM 4CS C6 H10 N2 O2 CC1=N[C@@H....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 2VPO Kd = 3.8 uM 6CS C6 H10 N2 O3 CC1=N[C@@H....
2 2VPN Kd = 0.19 uM 4CS C6 H10 N2 O2 CC1=N[C@@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 4CS; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 4CS 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VPN; Ligand: 4CS; Similar sites found with APoc: 31
This union binding pocket(no: 1) in the query (biounit: 2vpn.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4OOE FOM 2.21519
2 1GA8 UPF 2.2508
3 1GA8 DEL 2.2508
4 3WQD PLP 999 2.30769
5 4MO2 FAD 2.53165
6 4EDF UPG 2.8481
7 4L9Z COA 2.8481
8 4L9Z OXL 2.8481
9 3KFC 61X 3.16206
10 3L0E G58 3.16206
11 2CJF RP4 3.18471
12 3MAG 3MA 3.25733
13 3JRS A8S 3.36538
14 2JAJ D20 3.46021
15 1E8G FAD 3.48101
16 1E8G FCR 3.48101
17 5XLA SIA 3.48101
18 3MB5 SAM 3.52941
19 6CUZ FEV 3.79747
20 5O4F 8VE 5.03876
21 3FV1 DYH 5.07812
22 2YB9 HA0 5.37975
23 5Y9D FAD 5.6962
24 2OCI TYC 5.90551
25 4OIC A8S 6.76329
26 4G6I RS3 7.14286
27 3IPQ 965 7.42049
28 5JCA FAD 9.50704
29 4H6B 10X 10.2564
30 4H69 10Y 10.3093
31 3B50 SLB 43.5484
Pocket No.: 2; Query (leader) PDB : 2VPN; Ligand: 4CS; Similar sites found with APoc: 10
This union binding pocket(no: 2) in the query (biounit: 2vpn.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5X8I SQZ 1.58228
2 3PQB VGP 2.8481
3 5VC5 96M 3.46021
4 3B1Q NOS 7.27848
5 1L8N GCW 7.59494
6 4DS8 A8S 8.5443
7 1PK8 ATP 9.24171
8 5FLJ QUE 10.2151
9 3VPB ADP 10.7143
10 5K2M ADP 12.0879
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