Receptor
PDB id Resolution Class Description Source Keywords
2YJP 2.26 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE SOLUTE RECEPTORS FOR L-CYSTEINE OF NEISSERIA GONORRHOEAE NEISSERIA GONORRHOEAE TRANSPORT PROTEIN SOLUTE-BINDING PROTEIN
Ref.: CRYSTAL STRUCTURES OF TWO SOLUTE RECEPTORS FOR L-CY AND L-CYSTEINE, RESPECTIVELY, OF THE HUMAN PATHOGEN NEISSERIA GONORRHOEAE. J.MOL.BIOL. V. 415 560 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CYS A:350;
B:350;
C:350;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 21 nM
121.158 C3 H7 N O2 S C([C@...
EDO A:1276;
A:1277;
A:1278;
B:1270;
B:1271;
C:1272;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
ZN A:1270;
A:1271;
A:1272;
A:1273;
A:1274;
A:1275;
C:1270;
C:1271;
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
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YJP 2.26 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE SOLUTE RECEPTORS FOR L-CYSTEINE OF NEISSERIA GONORRHOEAE NEISSERIA GONORRHOEAE TRANSPORT PROTEIN SOLUTE-BINDING PROTEIN
Ref.: CRYSTAL STRUCTURES OF TWO SOLUTE RECEPTORS FOR L-CY AND L-CYSTEINE, RESPECTIVELY, OF THE HUMAN PATHOGEN NEISSERIA GONORRHOEAE. J.MOL.BIOL. V. 415 560 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 2YJP Kd = 21 nM CYS C3 H7 N O2 S C([C@@H](C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 186 families.
1 2YJP Kd = 21 nM CYS C3 H7 N O2 S C([C@@H](C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 157 families.
1 2YJP Kd = 21 nM CYS C3 H7 N O2 S C([C@@H](C....
2 1XT8 Kd = 0.1 uM CYS C3 H7 N O2 S C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CYS; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 CYS 1 1
2 DCY 1 1
3 DSN 0.65 0.84
4 SER 0.65 0.84
5 HCS 0.608696 0.916667
6 DBB 0.571429 0.75
7 ABA 0.571429 0.75
8 2RA 0.571429 0.807692
9 C2N 0.545455 0.791667
10 ASN 0.521739 0.612903
11 DAS 0.521739 0.703704
12 ASP 0.521739 0.703704
13 CSS 0.52 0.807692
14 HSE 0.5 0.75
15 DAB 0.5 0.777778
16 LEU 0.48 0.692308
17 CSO 0.48 0.677419
18 AS2 0.48 0.692308
19 NVA 0.48 0.666667
20 API 0.48 0.62069
21 HL5 0.448276 0.740741
22 DGL 0.444444 0.642857
23 GGL 0.444444 0.642857
24 GLU 0.444444 0.642857
25 ALA 0.428571 0.608696
26 ORN 0.428571 0.740741
27 DAL 0.428571 0.608696
28 NLE 0.413793 0.62069
29 3GC 0.405405 0.647059
30 UN1 0.4 0.62069
31 DLY 0.4 0.714286
32 MED 0.4 0.666667
33 MET 0.4 0.666667
34 11C 0.4 0.62069
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YJP; Ligand: CYS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2yjp.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2YJP; Ligand: CYS; 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: 2yjp.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2YJP; Ligand: CYS; 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: 2yjp.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback