Receptor
PDB id Resolution Class Description Source Keywords
2V9M 1.3 Å EC: 4.1.2.19 L-RHAMNULOSE-1-PHOSPHATE ALDOLASE FROM ESCHERICHIA COLI (MUT T109F-E192A) ESCHERICHIA COLI ENTROPY INDEX METAL-BINDING OLIGOMERIZATION ZINC LYASE CLASS II CYTOPLASM CLEAVAGE OF L-RHAMNULOSE-1-PHOSPHATE TDIHYDROXYACETONEPH BACTERIAL L-RHAMNOSE METABOLISM INTERFADESIGN SURFACE MUTATION 2-KETOSE DEGRADATION PROTEIN-PROINTERFACE RARE SUGAR AGGREGATION ZINC ENZYME FIBRILLATIRHAMNOSE METABOLISM PROTEIN ENGINEERING
Ref.: DESIGNED PROTEIN-PROTEIN ASSOCIATION. SCIENCE V. 319 206 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1276;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
CIT A:1278;
Valid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
EDO A:1279;
A:1280;
A:1281;
A:1282;
B:1277;
B:1278;
B:1279;
B:1280;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
ZN A:1275;
A:1277;
B:1275;
B:1276;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
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
2V9M 1.3 Å EC: 4.1.2.19 L-RHAMNULOSE-1-PHOSPHATE ALDOLASE FROM ESCHERICHIA COLI (MUT T109F-E192A) ESCHERICHIA COLI ENTROPY INDEX METAL-BINDING OLIGOMERIZATION ZINC LYASE CLASS II CYTOPLASM CLEAVAGE OF L-RHAMNULOSE-1-PHOSPHATE TDIHYDROXYACETONEPH BACTERIAL L-RHAMNOSE METABOLISM INTERFADESIGN SURFACE MUTATION 2-KETOSE DEGRADATION PROTEIN-PROINTERFACE RARE SUGAR AGGREGATION ZINC ENZYME FIBRILLATIRHAMNOSE METABOLISM PROTEIN ENGINEERING
Ref.: DESIGNED PROTEIN-PROTEIN ASSOCIATION. SCIENCE V. 319 206 2008
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2V2A - 13P C3 H7 O6 P C(C(=O)COP....
2 2V9N - CIT C6 H8 O7 C(C(=O)O)C....
3 1OJR - 2HA C3 H6 O3 C(C(=O)CO)....
4 2V9M - CIT C6 H8 O7 C(C(=O)O)C....
5 2UYV - TLA C4 H6 O6 [C@@H]([C@....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2V2A - 13P C3 H7 O6 P C(C(=O)COP....
2 2V9N - CIT C6 H8 O7 C(C(=O)O)C....
3 1OJR - 2HA C3 H6 O3 C(C(=O)CO)....
4 2V9M - CIT C6 H8 O7 C(C(=O)O)C....
5 2UYV - TLA C4 H6 O6 [C@@H]([C@....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2V2A - 13P C3 H7 O6 P C(C(=O)COP....
2 2V9N - CIT C6 H8 O7 C(C(=O)O)C....
3 1OJR - 2HA C3 H6 O3 C(C(=O)CO)....
4 2V9M - CIT C6 H8 O7 C(C(=O)O)C....
5 2UYV - TLA C4 H6 O6 [C@@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 7QD 0.653846 0.958333
3 HCA 0.576923 0.884615
4 MAH 0.44 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2V9M; Ligand: CIT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2v9m.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2V9M; Ligand: CIT; 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: 2v9m.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2V9M; Ligand: CIT; 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: 2v9m.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2V9M; Ligand: CIT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2v9m.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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