Receptor
PDB id Resolution Class Description Source Keywords
5EZ1 2.4 Å EC: 5.2.1.8 CRYSTAL STRUCTURE OF CELL BINDING FACTOR 2 FROM HELICOBACTER COMPLEX WITH I2CA HELICOBACTER PYLORI (STRAIN ATCC 7003926695) CELL BINDING FACTOR 2 PEPTIDYL PROLYL CIS-TRANS ISOMERASE
Ref.: HELICOBACTER PYLORI CELL BINDING FACTOR 2: INSIGHTS DOMAIN MOTION. J.STRUCT.BIOL. V. 194 90 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ICB A:401;
B:401;
Valid;
Valid;
none;
none;
submit data
161.157 C9 H7 N O2 c1ccc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EZ1 2.4 Å EC: 5.2.1.8 CRYSTAL STRUCTURE OF CELL BINDING FACTOR 2 FROM HELICOBACTER COMPLEX WITH I2CA HELICOBACTER PYLORI (STRAIN ATCC 7003926695) CELL BINDING FACTOR 2 PEPTIDYL PROLYL CIS-TRANS ISOMERASE
Ref.: HELICOBACTER PYLORI CELL BINDING FACTOR 2: INSIGHTS DOMAIN MOTION. J.STRUCT.BIOL. V. 194 90 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 5EZ1 - ICB C9 H7 N O2 c1ccc2c(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 5EZ1 - ICB C9 H7 N O2 c1ccc2c(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 5EZ1 - ICB C9 H7 N O2 c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ICB; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 ICB 1 1
2 3ZB 0.456522 0.857143
3 4BY 0.456522 0.96
4 4BL 0.456522 0.96
5 2MI 0.414634 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EZ1; Ligand: ICB; Similar sites found: 12
This union binding pocket(no: 1) in the query (biounit: 5ez1.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VPQ ANP 0.004882 0.45044 1.44404
2 1JJE BYS 0.0206 0.40854 1.8018
3 3TWO NDP 0.0276 0.40484 2.88809
4 1YVM TMG 0.01046 0.40237 3.40909
5 4IEH 1E9 0.004384 0.44448 3.5503
6 1K1Y ACR 0.02528 0.41261 5.41516
7 2FTB OLA 0.007236 0.43558 5.6
8 2GJ3 FAD 0.00211 0.46244 6.66667
9 2E27 AB0 0.02106 0.40005 6.72269
10 5CSD ACD 0.03541 0.41779 6.91824
11 2EAE FUC 0.006531 0.40901 7.58123
12 5J75 6GQ 0.01335 0.40832 8.33333
Pocket No.: 2; Query (leader) PDB : 5EZ1; Ligand: ICB; 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: 5ez1.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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