Receptor
PDB id Resolution Class Description Source Keywords
2O7B 1.6 Å EC: 4.3.1.- TYROSINE AMMONIA-LYASE FROM RHODOBACTER SPHAEROIDES, COMPLEXED WITH COUMARATE RHODOBACTER SPHAEROIDES METHYLIDENE IMIDAZOLONE PROSTHETIC GROUP LYASE
Ref.: STRUCTURAL DETERMINANTS AND MODULATION OF SUBSTRATE SPECIFICITY IN PHENYLALANINE-TYROSINE AMMONIA-LYASES. CHEM.BIOL. V. 13 1327 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HC4 A:701;
B:701;
C:701;
D:701;
E:701;
F:701;
G:701;
H:701;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
164.158 C9 H8 O3 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2O7B 1.6 Å EC: 4.3.1.- TYROSINE AMMONIA-LYASE FROM RHODOBACTER SPHAEROIDES, COMPLEXED WITH COUMARATE RHODOBACTER SPHAEROIDES METHYLIDENE IMIDAZOLONE PROSTHETIC GROUP LYASE
Ref.: STRUCTURAL DETERMINANTS AND MODULATION OF SUBSTRATE SPECIFICITY IN PHENYLALANINE-TYROSINE AMMONIA-LYASES. CHEM.BIOL. V. 13 1327 2006
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2O78 - TCA C9 H8 O2 c1ccc(cc1)....
2 2O7D - DHC C9 H8 O4 c1cc(c(cc1....
3 2O7B - HC4 C9 H8 O3 c1cc(ccc1C....
4 2O7F - HC4 C9 H8 O3 c1cc(ccc1C....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2O78 - TCA C9 H8 O2 c1ccc(cc1)....
2 2O7D - DHC C9 H8 O4 c1cc(c(cc1....
3 2O7B - HC4 C9 H8 O3 c1cc(ccc1C....
4 2O7F - HC4 C9 H8 O3 c1cc(ccc1C....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2O78 - TCA C9 H8 O2 c1ccc(cc1)....
2 2O7D - DHC C9 H8 O4 c1cc(c(cc1....
3 2O7B - HC4 C9 H8 O3 c1cc(ccc1C....
4 2O7F - HC4 C9 H8 O3 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HC4; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 HC4 1 1
2 TCA 0.527778 0.647059
3 IPJ 0.511628 0.736842
4 X8W 0.488889 0.666667
5 HCC 0.468085 0.666667
6 DHC 0.463415 0.772727
7 PHB 0.441176 0.941176
8 EN1 0.435897 0.809524
9 HBA 0.411765 0.764706
10 4FE 0.404255 0.708333
11 FER 0.404255 0.708333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2O7B; Ligand: HC4; Similar sites found: 10
This union binding pocket(no: 1) in the query (biounit: 2o7b.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VGK REZ 0.01874 0.40611 2.04499
2 2C42 TPP 0.01945 0.40516 2.30326
3 2C42 PYR 0.01945 0.40516 2.30326
4 2QLX RM4 0.01701 0.4036 3.7037
5 3ZGE ASP 0.01688 0.41642 4.22265
6 1ULE GLA GAL NAG 0.01266 0.41241 5.33333
7 2W3L DRO 0.01983 0.40098 6.25
8 1JCM 137 0.01004 0.40191 6.56371
9 4TVD BGC 0.01388 0.40739 7.67754
10 4CQ5 TCA 0.000000157 0.65265 39.1555
Pocket No.: 2; Query (leader) PDB : 2O7B; Ligand: HC4; 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: 2o7b.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2O7B; Ligand: HC4; 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: 2o7b.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2O7B; Ligand: HC4; 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: 2o7b.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2O7B; Ligand: HC4; Similar sites found: 6
This union binding pocket(no: 5) in the query (biounit: 2o7b.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3RI1 3RH 0.0158 0.40701 2.23642
2 1VJ7 GPX 0.02849 0.40008 2.54453
3 3P2H MTA 0.02018 0.40005 3.48259
4 4L80 OXL 0.02171 0.40418 3.73563
5 1NV8 SAM 0.01439 0.40896 3.87324
6 3WMX THR 0.01197 0.40876 6.14525
Pocket No.: 6; Query (leader) PDB : 2O7B; Ligand: HC4; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2o7b.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2O7B; Ligand: HC4; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2o7b.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2O7B; Ligand: HC4; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2o7b.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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