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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 22 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 4BL 0.456522 0.96
4 4BY 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 with APoc: 42
This union binding pocket(no: 1) in the query (biounit: 5ez1.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 2VPQ ANP 1.44404
2 2MAS PIR 1.44404
3 1JJE BYS 1.8018
4 2QE0 NAP 1.80505
5 4WNP 3RJ 1.80505
6 4WAS COO 2.16606
7 5NCJ SIN 2.23881
8 3STK PLM 2.27273
9 2C91 NAP 2.52708
10 5ODT ADP 2.52708
11 4MOP 2H5 2.52765
12 5XEG AKG 2.5974
13 3TWO NDP 2.88809
14 6GL0 GLC BGC BGC 3.02115
15 3TM0 ANP 3.04183
16 6GG9 FMN 3.08642
17 1OJ4 CDM 3.18021
18 2VQD AP2 3.2491
19 1YVM TMG 3.40909
20 3HNC TTP 4.33213
21 2TPS TPS 4.40529
22 4CYI ATP 4.69314
23 2BYC FMN 5.10949
24 1M7Y PPG 5.41516
25 1K1Y ACR 5.41516
26 2FTB OLA 5.6
27 5UBG PRT 5.75221
28 3P7N FMN 6.13718
29 2X32 OTP 6.14525
30 1GXS BEZ 6.2963
31 2GJ3 FAD 6.66667
32 2E27 AB0 6.72269
33 5CSD ACD 6.91824
34 5J75 6GQ 8.33333
35 6EW3 S3C 9.05172
36 4MIG G3F 9.74729
37 2HKA C3S 13.0769
38 3O0Q TTP 13.3574
39 1W6S PQQ 14.8649
40 4IKR PVP 18.0505
41 3WSJ MK1 18.9655
42 1C9H RAP 20.5607
Pocket No.: 2; Query (leader) PDB : 5EZ1; Ligand: ICB; Similar sites found with APoc: 19
This union binding pocket(no: 2) in the query (biounit: 5ez1.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1NWW HPN 2.01342
2 4OCV NDG 2.16606
3 1M5W DXP 2.46914
4 1UAS GLA 2.52708
5 6FYZ EBE 3.2491
6 1SQI 869 3.2491
7 4MNS 2AX 3.77358
8 3A51 VDY 4.33213
9 3M0J OAF 4.69314
10 3KPB SAM 5.7377
11 2Z77 HE7 5.7554
12 3T7V MD0 7.58123
13 5Y3N 8MF 9.74729
14 3BZ3 YAM 10.5072
15 4KYS VIB 10.8303
16 5DJU FMN 13.1148
17 4OCJ NDG 13.3574
18 2ARC ARA 20.122
19 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 29.4737
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