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Receptor
PDB id Resolution Class Description Source Keywords
1EI6 2.1 Å EC: 3.11.1.2 CRYSTAL STRUCTURE OF PHOSPHONOACETATE HYDROLASE COMPLEXED WI PHOSPHONOFORMATE PSEUDOMONAS FLUORESCENS PHOSPHONOACETATE HYDROLASE ZINC
Ref.: CRYSTAL STRUCTURE OF PHOSPHONOACETATE HYDROLASE COM 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 WI PHOSPHONOFORMATE PSEUDOMONAS FLUORESCENS PHOSPHONOACETATE HYDROLASE ZINC
Ref.: CRYSTAL STRUCTURE OF PHOSPHONOACETATE HYDROLASE COM 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 with APoc: 34
This union binding pocket(no: 1) in the query (biounit: 1ei6.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 6BU3 3GK 1.52672
2 4PVV HO4 1.54321
3 5BQS 4VN 2.16718
4 1O98 2PG 2.21675
5 2IBY COA 2.27848
6 5MUA GAL 2.44755
7 2GZM DGL 2.62172
8 2CWH PYC 2.62391
9 3ZXR P3S 2.70936
10 3ZXR IQ1 2.70936
11 5WYF ILP 2.95567
12 5N7O 69Y 3.61991
13 5M67 ADE 3.94089
14 5M67 NAD 3.94089
15 2ZA5 2FF 4.08163
16 5Y2W PGA 4.2735
17 4CE5 PDG 4.5045
18 1ZUW DGL 4.77941
19 1KYV RBF 5.03145
20 2JFZ 003 5.4902
21 2JFZ DGL 5.4902
22 1Q6O LG6 5.55556
23 3B1Q NOS 5.82822
24 4QOM PYG 6.15764
25 2VVT I24 6.89655
26 2VVT DGL 6.89655
27 5KVA SAM 8.99281
28 4LQY AMP 9.97506
29 3IGZ 3PG 10.0985
30 3IGZ 2PG 10.0985
31 2GSU AMP 11.4504
32 2YAJ 4HP 18.6047
33 5LIA 6XN 19.4581
34 6C02 APC 21.1823
Pocket No.: 2; Query (leader) PDB : 1EI6; Ligand: PPF; Similar sites found with APoc: 23
This union binding pocket(no: 2) in the query (biounit: 1ei6.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3LDW IPE 2.27273
2 4BA5 PXG 2.46305
3 6BND OPE 2.61628
4 2IXB NAD 2.70936
5 5GVL PLG 3.20197
6 5GVL GI8 3.20197
7 4UFH GIF 3.69458
8 4YCA NDP 3.7415
9 3C6K SPD 4.19948
10 3C6K MTA 4.19948
11 3X0Y FMN 4.6798
12 4J6O CIT 4.92424
13 2IHK CSF 5.01253
14 6B0K 9RN G4S 9RN G4S 6.65025
15 6B0K G4S 9RN G4S 9RN G4S 6.65025
16 2W5T GP9 6.89655
17 5GM9 CBK 7.51174
18 1E2S CSN 7.88177
19 5JFL NAD 7.88177
20 1IDA 0PO 8.08081
21 5VEO AMP 10.3448
22 6F30 UD1 22.6601
23 5EGH PC 28.8177
Pocket No.: 3; Query (leader) PDB : 1EI6; Ligand: PPF; Similar sites found with APoc: 20
This union binding pocket(no: 3) in the query (biounit: 1ei6.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 3GU3 SAH 1.40845
2 2V7B BEZ 2.21675
3 2Z9C FMN 3
4 2Z9C DTC 3
5 1F74 NAY 3.07167
6 3DLS ADP 3.58209
7 2DM6 NAP 3.6036
8 4CRL C1I 3.85965
9 3LZW NAP 4.51807
10 3LZW FAD 4.51807
11 6GAS FAD 4.53172
12 1O94 AMP 4.92424
13 3WGC PLG 5.27859
14 2APC UDM 5.84795
15 5CYV WCA 6.16438
16 4B7P 9UN 6.95652
17 5UKL SIX 8.06452
18 2X24 X24 11.8227
19 1WK9 TSB 13.0137
20 1TF9 PHI 13.3803
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