-->
Receptor
PDB id Resolution Class Description Source Keywords
2ZO9 2.2 Å EC: 3.1.4.46 MALONATE-BOUND STRUCTURE OF THE GLYCEROPHOSPHODIESTERASE FRO ENTEROBACTER AEROGENES (GPDQ) AND CHARACTERIZATION OF THE NM ETAL ION PREFERENCE ENTEROBACTER AEROGENES MALONATE METALLOENZYME IRON PHOSPHODIESTERASE HYDROLASE
Ref.: MALONATE-BOUND STRUCTURE OF THE GLYCEROPHOSPHODIEST FROM ENTEROBACTER AEROGENES (GPDQ) AND CHARACTERIZA THE NATIVE FE2+ METAL-ION PREFERENCE. ACTA CRYSTALLOGR.,SECT.F V. 64 681 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE2 B:275;
B:276;
C:275;
C:276;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+2...
MLI B:277;
C:277;
Valid;
Valid;
none;
none;
submit data
102.046 C3 H2 O4 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZO9 2.2 Å EC: 3.1.4.46 MALONATE-BOUND STRUCTURE OF THE GLYCEROPHOSPHODIESTERASE FRO ENTEROBACTER AEROGENES (GPDQ) AND CHARACTERIZATION OF THE NM ETAL ION PREFERENCE ENTEROBACTER AEROGENES MALONATE METALLOENZYME IRON PHOSPHODIESTERASE HYDROLASE
Ref.: MALONATE-BOUND STRUCTURE OF THE GLYCEROPHOSPHODIEST FROM ENTEROBACTER AEROGENES (GPDQ) AND CHARACTERIZA THE NATIVE FE2+ METAL-ION PREFERENCE. ACTA CRYSTALLOGR.,SECT.F V. 64 681 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZOA - MLI C3 H2 O4 C(C(=O)[O-....
2 2ZO9 - MLI C3 H2 O4 C(C(=O)[O-....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZOA - MLI C3 H2 O4 C(C(=O)[O-....
2 2ZO9 - MLI C3 H2 O4 C(C(=O)[O-....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZOA - MLI C3 H2 O4 C(C(=O)[O-....
2 2ZO9 - MLI C3 H2 O4 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLI; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 MLI 1 1
2 OAA 0.5 0.666667
3 OXL 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZO9; Ligand: MLI; Similar sites found with APoc: 31
This union binding pocket(no: 1) in the query (biounit: 2zo9.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1I9G SAM 1.45985
2 4GC1 MAN MAN 1.82482
3 4I42 1HA 1.82482
4 5FCB AMP 2.07852
5 5TIV A3P 2.37154
6 5DQ8 FLF 2.91667
7 3IQE F42 3.28467
8 4M0R 644 3.28467
9 4HMT FMN 3.55556
10 4PEG 5GP 3.64964
11 4OIT BMA 5.47445
12 4OIT MAN 5.47445
13 5A89 FMN 5.76923
14 5KAS PC 5.83942
15 1F4F TP3 6.06061
16 1HP1 ATP 6.56934
17 1KJ1 MAN 8.25688
18 4H2F ADN 8.39416
19 5GVL PLG 8.39416
20 5GVL GI8 8.39416
21 5IHE D5M 9.12409
22 4ZX2 4TE 9.85401
23 1II7 DA 10.219
24 4J6O CIT 10.2273
25 4DHL 0K7 11.3139
26 1YUC EPH 11.7647
27 3RL3 5GP 12.0438
28 5B4B LP5 12.9032
29 2WCV FUC 14.2857
30 5I85 PC 20.073
31 3IB8 AMP 34.6715
Pocket No.: 2; Query (leader) PDB : 2ZO9; Ligand: MLI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2zo9.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2ZO9; Ligand: MLI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2zo9.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2ZO9; Ligand: MLI; Similar sites found with APoc: 6
This union binding pocket(no: 4) in the query (biounit: 2zo9.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3EUT DCR 1.45985
2 4EIP FAD 2.18978
3 4A34 FUL 2.72109
4 4HMT NNV 3.55556
5 1OGD RIP 6.87023
6 3ZQ9 NOY BGC 7.29927
Pocket No.: 5; Query (leader) PDB : 2ZO9; Ligand: MLI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2zo9.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2ZO9; Ligand: MLI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2zo9.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2ZO9; Ligand: MLI; Similar sites found with APoc: 2
This union binding pocket(no: 7) in the query (biounit: 2zo9.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 4B9Z ACR 2.55474
2 3OJI PYV 3.7037
Pocket No.: 8; Query (leader) PDB : 2ZO9; Ligand: MLI; Similar sites found with APoc: 1
This union binding pocket(no: 8) in the query (biounit: 2zo9.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5H9Y BGC BGC BGC BGC 9.12409
APoc FAQ
Feedback