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Receptor
PDB id Resolution Class Description Source Keywords
4HPC 1.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF NITROPHORIN 4 FROM RHODNIUS PROLIXUS CO WITH CYSTEINE AT PH 7.4 RHODNIUS PROLIXUS HEME LIPOCALIN NITROPHORIN METAL BINDING PROTEIN TRANSPOPROTEIN
Ref.: COMPLEXES OF FERRIHEME NITROPHORIN 4 WITH LOW-MOLEC WEIGHT THIOL(ATE)S OCCURRING IN BLOOD PLASMA J.INORG.BIOCHEM. V. 122 38 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CYS A:202;
Valid;
none;
Ka = 167 M^-1
121.158 C3 H7 N O2 S C([C@...
HEM A:201;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4HPD 1.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF NITROPHORIN 4 FROM RHODNIUS PROLIXUS CO WITH HOMOCYSTEINE AT PH 7.4 RHODNIUS PROLIXUS HEME LIPOCALIN NITROPHORIN METAL BINDING PROTEIN TRANSPOPROTEIN
Ref.: COMPLEXES OF FERRIHEME NITROPHORIN 4 WITH LOW-MOLEC WEIGHT THIOL(ATE)S OCCURRING IN BLOOD PLASMA J.INORG.BIOCHEM. V. 122 38 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4HPD Ka = 1780 M^-1 HCS C4 H9 N O2 S C(CS)[C@@H....
2 4HPC Ka = 167 M^-1 CYS C3 H7 N O2 S C([C@@H](C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4HPD Ka = 1780 M^-1 HCS C4 H9 N O2 S C(CS)[C@@H....
2 4HPC Ka = 167 M^-1 CYS C3 H7 N O2 S C([C@@H](C....
3 1U18 - HSM C5 H9 N3 c1c(nc[nH]....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4XMF - HSM C5 H9 N3 c1c(nc[nH]....
2 4XMH - GLY GLY GLY n/a n/a
3 4HPD Ka = 1780 M^-1 HCS C4 H9 N O2 S C(CS)[C@@H....
4 4HPC Ka = 167 M^-1 CYS C3 H7 N O2 S C([C@@H](C....
5 1U18 - HSM C5 H9 N3 c1c(nc[nH]....
6 2GTF - P1R C4 H4 N2 c1cncnc1
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 2RA 0.571429 0.807692
7 ABA 0.571429 0.75
8 DBB 0.571429 0.75
9 C2N 0.545455 0.791667
10 ASP 0.521739 0.703704
11 DAS 0.521739 0.703704
12 ASN 0.521739 0.612903
13 CSS 0.52 0.807692
14 DAB 0.5 0.777778
15 HSE 0.5 0.75
16 LEU 0.48 0.692308
17 AS2 0.48 0.692308
18 API 0.48 0.62069
19 NVA 0.48 0.666667
20 CSO 0.48 0.677419
21 HL5 0.448276 0.740741
22 GLU 0.444444 0.642857
23 DGL 0.444444 0.642857
24 GGL 0.444444 0.642857
25 ORN 0.428571 0.740741
26 ALA 0.428571 0.608696
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 MED 0.4 0.666667
32 DLY 0.4 0.714286
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 : 4HPD; Ligand: HCS; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 4hpd.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZWP M44 5.43478
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