Receptor
PDB id Resolution Class Description Source Keywords
1EI6 2.1 Å EC: 3.11.1.2 CRYSTAL STRUCTURE OF PHOSPHONOACETATE HYDROLASE COMPLEXED WITH PHOSPHONOFORMATE PSEUDOMONAS FLUORESCENS PHOSPHONOACETATE HYDROLASE ZINC CRYSTAL STRUCTURE
Ref.: CRYSTAL STRUCTURE OF PHOSPHONOACETATE HYDROLASE COMPLEXED WITH PHOSPHONOFORMATE TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PPF A:410;
C:413;
D:412;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
126.005 C H3 O5 P C(=O)...
TLA B:411;
Invalid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
ZN A:408;
A:409;
B:408;
B:409;
C:408;
C:409;
D:408;
D:409;
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
1EI6 2.1 Å EC: 3.11.1.2 CRYSTAL STRUCTURE OF PHOSPHONOACETATE HYDROLASE COMPLEXED WITH PHOSPHONOFORMATE PSEUDOMONAS FLUORESCENS PHOSPHONOACETATE HYDROLASE ZINC CRYSTAL STRUCTURE
Ref.: CRYSTAL STRUCTURE OF PHOSPHONOACETATE HYDROLASE COMPLEXED WITH PHOSPHONOFORMATE TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1EI6 - PPF C H3 O5 P C(=O)(O)P(....
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 1EI6 - PPF C H3 O5 P C(=O)(O)P(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1EI6 - PPF C H3 O5 P C(=O)(O)P(....
2 3T01 Ki = 33 uM PPF C H3 O5 P C(=O)(O)P(....
3 3T02 - PAE C2 H5 O5 P C(C(=O)O)P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PPF; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PPF 1 1
2 PAE 0.444444 0.724138
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1EI6; Ligand: PPF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1ei6.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1EI6; Ligand: PPF; Similar sites found: 12
This union binding pocket(no: 2) in the query (biounit: 1ei6.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5GVL PLG 0.04501 0.40918 3.20197
2 5GVL GI8 0.04501 0.40918 3.20197
3 5N7O 69Y 0.01424 0.41391 3.61991
4 4UFH GIF 0.01819 0.40292 3.69458
5 3C6K MTA 0.048 0.40556 4.19948
6 3C6K SPD 0.048 0.40556 4.19948
7 4J6O CIT 0.003396 0.40825 4.92424
8 5GM9 CBK 0.02684 0.41267 7.51174
9 4LQY AMP 0.0007537 0.4186 9.97506
10 5VEO AMP 0.0001173 0.42392 10.3448
11 2GSU AMP 0.00005913 0.53798 11.4504
12 5EGH PC 0.00002201 0.47691 28.8177
Pocket No.: 3; Query (leader) PDB : 1EI6; Ligand: PPF; Similar sites found: 6
This union binding pocket(no: 3) in the query (biounit: 1ei6.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2V7B BEZ 0.009605 0.40253 2.21675
2 3DLS ADP 0.01132 0.40128 3.58209
3 2APC UDM 0.01423 0.42306 5.84795
4 4B7P 9UN 0.03377 0.40262 6.95652
5 5UKL SIX 0.01933 0.40461 8.06452
6 1WK9 TSB 0.01726 0.4 13.0137
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