Receptor
PDB id Resolution Class Description Source Keywords
5E9G 2.1 Å EC: 4.1.3.1 STRUCTURAL INSIGHTS OF ISOCITRATE LYASES FROM MAGNAPORTHE OR MAGNAPORTHE ORYZAE 70-15 TIM BETA/ALPHA-BARREL LYASE ACTIVITY LYASE
Ref.: CRYSTAL STRUCTURE AND FUNCTIONAL ANALYSIS OF ISOCIT LYASES FROM MAGNAPORTHE ORYZAE AND FUSARIUM GRAMINE J.STRUCT.BIOL. V. 194 395 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLV B:601;
C:601;
A:601;
D:601;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
74.035 C2 H2 O3 C(=O)...
GOL D:602;
A:602;
B:602;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG A:603;
D:603;
C:602;
B:603;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5E9G 2.1 Å EC: 4.1.3.1 STRUCTURAL INSIGHTS OF ISOCITRATE LYASES FROM MAGNAPORTHE OR MAGNAPORTHE ORYZAE 70-15 TIM BETA/ALPHA-BARREL LYASE ACTIVITY LYASE
Ref.: CRYSTAL STRUCTURE AND FUNCTIONAL ANALYSIS OF ISOCIT LYASES FROM MAGNAPORTHE ORYZAE AND FUSARIUM GRAMINE J.STRUCT.BIOL. V. 194 395 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5E9G - GLV C2 H2 O3 C(=O)C(=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 5E9H - MLI C3 H2 O4 C(C(=O)[O-....
2 5E9G - GLV C2 H2 O3 C(=O)C(=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 5E9H - MLI C3 H2 O4 C(C(=O)[O-....
2 5E9G - GLV C2 H2 O3 C(=O)C(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLV; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GLV 1 1
2 FUM 0.5 0.666667
3 MAE 0.5 0.666667
4 OXD 0.416667 0.75
5 CCU 0.411765 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5E9G; Ligand: GLV; Similar sites found: 12
This union binding pocket(no: 1) in the query (biounit: 5e9g.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2P53 NNG 0.006097 0.43559 1.57068
2 3JU6 ARG 0.008576 0.40291 2.97297
3 1NC4 DOF 0.00535 0.40697 3.72093
4 4I54 1C1 0.03244 0.41011 4.24929
5 2YAJ 4HP 0.007384 0.42644 4.65116
6 4I42 1HA 0.0315 0.40184 5.96491
7 4N02 FNR 0.02077 0.46092 8.40336
8 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 0.03772 0.40655 9.47368
9 3B8I OXL 0.0009557 0.43304 14.6341
10 2DUA OXL 0.03425 0.41948 14.8276
11 1O5Q PYR 0.000000005691 0.72003 18.6885
12 1XG4 ICT 0.000000003776 0.76805 19.661
Pocket No.: 2; Query (leader) PDB : 5E9G; Ligand: GLV; 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: 5e9g.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5E9G; Ligand: GLV; 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: 5e9g.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5E9G; Ligand: GLV; 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: 5e9g.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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