Receptor
PDB id Resolution Class Description Source Keywords
2XIG 1.85 Å NON-ENZYME: OTHER THE STRUCTURE OF THE HELICOBACTER PYLORI FERRIC UPTAKE REGULATOR FUR REVEALS THREE FUNCTIONAL METAL BINDING SITES HELICOBACTER PYLORI HPFUR TRANSCRIPTION HOMEOSTASIS
Ref.: THE STRUCTURE OF THE HELICOBACTER PYLORI FERRIC UPT REGULATOR FUR REVEALS THREE FUNCTIONAL METAL BINDIN MOL.MICROBIOL. V. 79 1260 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT B:1149;
Valid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
ZN A:1149;
A:1150;
A:1151;
B:1150;
B:1151;
B:1152;
C:1151;
C:1152;
C:1153;
D:1149;
D:1150;
D:1151;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
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;
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
2XIG 1.85 Å NON-ENZYME: OTHER THE STRUCTURE OF THE HELICOBACTER PYLORI FERRIC UPTAKE REGULATOR FUR REVEALS THREE FUNCTIONAL METAL BINDING SITES HELICOBACTER PYLORI HPFUR TRANSCRIPTION HOMEOSTASIS
Ref.: THE STRUCTURE OF THE HELICOBACTER PYLORI FERRIC UPT REGULATOR FUR REVEALS THREE FUNCTIONAL METAL BINDIN MOL.MICROBIOL. V. 79 1260 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2XIG - 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 1068 families.
1 2XIG - 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 922 families.
1 2XIG - CIT C6 H8 O7 C(C(=O)O)C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 HCA 0.576923 0.884615
3 MAH 0.44 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XIG; Ligand: CIT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2xig.bio2) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2XIG; Ligand: CIT; Similar sites found: 12
This union binding pocket(no: 2) in the query (biounit: 2xig.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FLJ QUE 0.01015 0.40663 None
2 1M13 HYF 0.00933 0.44475 2
3 1X38 IDD 0.02377 0.40237 2.66667
4 1SO2 666 0.01094 0.40036 4
5 5GXU FAD 0.0122 0.41237 5.33333
6 2TPS TPS 0.02383 0.41186 5.33333
7 1PMO PLR 0.008165 0.40631 6.66667
8 3FS1 MYR 0.01621 0.40864 7.33333
9 3ZM6 2GN 0.0366 0.4033 8.66667
10 2OZ5 7XY 0.0161 0.42589 10.6667
11 1AE1 NAP 0.04791 0.40264 10.6667
12 4G28 0W8 0.005314 0.40489 19.4631
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