Receptor
PDB id Resolution Class Description Source Keywords
2GBB 2.1 Å EC: 5.4.99.5 CRYSTAL STRUCTURE OF SECRETED CHORISMATE MUTASE FROM YERSINI YERSINIA PESTIS BIOVAR MICROTUS STR. 9ORGANISM_TAXID: 229193 ALPHA HELICAL BUNDLE ISOMERASE
Ref.: A COMPARATIVE BIOCHEMICAL AND STRUCTURAL ANALYSIS O INTRACELLULAR CHORISMATE MUTASE (RV0948C) FROM MYCO TUBERCULOSIS H(37)R(V) AND THE SECRETED CHORISMATE (Y2828) FROM YERSINIA PESTIS. FEBS J. V. 275 4824 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:191;
B:192;
C:193;
D:194;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
SO4 A:198;
A:200;
A:201;
A:202;
A:209;
B:197;
B:203;
B:204;
C:199;
C:205;
C:206;
C:208;
D:207;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GBB 2.1 Å EC: 5.4.99.5 CRYSTAL STRUCTURE OF SECRETED CHORISMATE MUTASE FROM YERSINI YERSINIA PESTIS BIOVAR MICROTUS STR. 9ORGANISM_TAXID: 229193 ALPHA HELICAL BUNDLE ISOMERASE
Ref.: A COMPARATIVE BIOCHEMICAL AND STRUCTURAL ANALYSIS O INTRACELLULAR CHORISMATE MUTASE (RV0948C) FROM MYCO TUBERCULOSIS H(37)R(V) AND THE SECRETED CHORISMATE (Y2828) FROM YERSINIA PESTIS. FEBS J. V. 275 4824 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2GBB - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2GBB - CIT C6 H8 O7 C(C(=O)O)C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2GBB - CIT C6 H8 O7 C(C(=O)O)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 : 2GBB; Ligand: CIT; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 2gbb.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1ECM TSA 11.0092
Pocket No.: 2; Query (leader) PDB : 2GBB; 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: 2gbb.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2GBB; 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: 2gbb.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2GBB; 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: 2gbb.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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