-->
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 1443 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 1205 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 1039 families.
1 2XIG - 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 : 2XIG; Ligand: CIT; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 2xig.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 6G96 ACO 2
2 2BJU IH4 4.66667
3 4R57 ACO 13.3333
4 2PS1 PRP 15.3333
Pocket No.: 2; Query (leader) PDB : 2XIG; Ligand: CIT; Similar sites found with APoc: 30
This union binding pocket(no: 2) in the query (biounit: 2xig.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 2UZH CDP None
2 4IAE 1DX None
3 5FLJ QUE None
4 1M13 HYF 2
5 6D6L FY4 2
6 1X39 IDE 2.66667
7 1J0D 5PA 3.33333
8 2H3H BGC 3.33333
9 1IV2 CDP 4
10 1SO2 666 4
11 1YQZ FAD 4.66667
12 1VLJ NAP 4.66667
13 5O74 GDP 4.66667
14 1W5T ANP 5.33333
15 5GXU FAD 5.33333
16 2TPS TPS 5.33333
17 1IN4 ADP 5.33333
18 4RJK TPP 5.33333
19 2UUU PL3 6
20 2R3A SAM 6
21 1PMO PLR 6.66667
22 3EYA TDP 6.66667
23 3FS1 MYR 7.33333
24 3ZM6 2GN 8.66667
25 2OZ5 7XY 10.6667
26 1AE1 NAP 10.6667
27 1KQF MGD 11.3333
28 1N62 FAD 14
29 4ZOH MCN 19.3333
30 1TLL NAP 24.6667
APoc FAQ
Feedback