Receptor
PDB id Resolution Class Description Source Keywords
1DWK 1.65 Å EC: 4.2.1.104 STRUCTURE OF CYANASE WITH THE DI-ANION OXALATE BOUND AT THE ACTIVE SITE ESCHERICHIA COLI LYASE CYANATE DEGRADATION PSI PROTEIN STRUCTURE INITIATIVMIDWEST CENTER FOR STRUCTURAL GENOMICS MCSG
Ref.: STRUCTURE OF CYANASE REVEALS THAT A NOVEL DIMERIC A DECAMERIC ARRANGEMENT OF SUBUNITS IS REQUIRED FOR F OF THE ENZYME ACTIVE SITE. STRUCTURE V. 8 505 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OXL A:1161;
D:1159;
E:1161;
G:1159;
I:1159;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
88.019 C2 O4 C(=O)...
SO4 A:1157;
A:1158;
A:1159;
A:1160;
B:1157;
C:1157;
C:1158;
D:1157;
D:1158;
E:1157;
E:1158;
E:1159;
E:1160;
F:1157;
F:1158;
G:1157;
G:1158;
H:1157;
H:1158;
I:1157;
I:1158;
J:1157;
J:1158;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DWK 1.65 Å EC: 4.2.1.104 STRUCTURE OF CYANASE WITH THE DI-ANION OXALATE BOUND AT THE ACTIVE SITE ESCHERICHIA COLI LYASE CYANATE DEGRADATION PSI PROTEIN STRUCTURE INITIATIVMIDWEST CENTER FOR STRUCTURAL GENOMICS MCSG
Ref.: STRUCTURE OF CYANASE REVEALS THAT A NOVEL DIMERIC A DECAMERIC ARRANGEMENT OF SUBUNITS IS REQUIRED FOR F OF THE ENZYME ACTIVE SITE. STRUCTURE V. 8 505 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1DWK - OXL C2 O4 C(=O)(C(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1DWK - OXL C2 O4 C(=O)(C(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1DWK - OXL C2 O4 C(=O)(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OXL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OXL 1 1
2 MLI 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DWK; Ligand: OXL; Similar sites found: 10
This union binding pocket(no: 1) in the query (biounit: 1dwk.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1XG4 ICT 0.02246 0.4013 None
2 1NBU PH2 0.002993 0.44289 1.68067
3 2X4Z X4Z 0.02903 0.41495 5.12821
4 4AF0 IMP 0.01405 0.42347 5.76923
5 4UFH GIF 0.01654 0.40301 5.76923
6 4JGP PYR 0.003796 0.42653 6.41026
7 4B0T ADP 0.01918 0.41696 7.05128
8 3SQG TP7 0.01696 0.40958 7.05128
9 3PNL ADP 0.005632 0.44071 9.61539
10 4YEF 4CQ 0.009907 0.42082 14.6067
Pocket No.: 2; Query (leader) PDB : 1DWK; Ligand: OXL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1dwk.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1DWK; Ligand: OXL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1dwk.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1DWK; Ligand: OXL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1dwk.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1DWK; Ligand: OXL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1dwk.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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