Receptor
PDB id Resolution Class Description Source Keywords
4CPB 1.57 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF LECA IN COMPLEX WITH A DIVALENT GALACTOSIDE AT 1.57 ANGSTROM IN MAGNESIUM PSEUDOMONAS AERUGINOSA SUGAR BINDING PROTEIN GALACTOSE BINDING SUGAR BASED INHIBI
Ref.: A LECA LIGAND IDENTIFIED FROM A GALACTOSIDE-CONJUGA INHIBITS HOST CELL INVASION BY PSEUDOMONAS AERUGINO ANGEW.CHEM.INT.ED.ENGL. V. 53 8885 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL CN8 B:1123;
A:1123;
D:1124;
C:1123;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
412.467 n/a S(C1O...
2PE D:1122;
Invalid;
none;
submit data
414.488 C18 H38 O10 C(COC...
CA A:1122;
D:1123;
B:1122;
C:1122;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
EDO B:1125;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
PEG A:1125;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
CL D:1126;
Invalid;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CPB 1.57 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF LECA IN COMPLEX WITH A DIVALENT GALACTOSIDE AT 1.57 ANGSTROM IN MAGNESIUM PSEUDOMONAS AERUGINOSA SUGAR BINDING PROTEIN GALACTOSE BINDING SUGAR BASED INHIBI
Ref.: A LECA LIGAND IDENTIFIED FROM A GALACTOSIDE-CONJUGA INHIBITS HOST CELL INVASION BY PSEUDOMONAS AERUGINO ANGEW.CHEM.INT.ED.ENGL. V. 53 8885 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 4CPB - GAL CN8 n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 4CPB - GAL CN8 n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 4CPB - GAL CN8 n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL CN8; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL CN8 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CPB; Ligand: GAL CN8; Similar sites found: 14
This union binding pocket(no: 1) in the query (biounit: 4cpb.bio3) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5VOM 9GY 0.015 0.40074 None
2 4M52 FAD 0.04524 0.40744 3.30579
3 4R1S NAP 0.0127 0.41583 4.13223
4 3FZG SAM 0.03022 0.40019 4.13223
5 5V3Y 5V8 0.005547 0.42455 6.61157
6 4A4X JUP 0.024 0.41456 6.61157
7 4RFR RHN 0.01837 0.40679 6.61157
8 2VZZ SCA 0.02467 0.40675 8.26446
9 3HWW AKG 0.02688 0.40377 9.09091
10 1ODM ASV 0.02686 0.4028 9.91736
11 5W0N 2KH 0.01767 0.41641 10.7438
12 5EFQ ADP 0.01395 0.41089 17.3554
13 3LOO B4P 0.009352 0.44411 25.6198
14 2CET PGI 0.04079 0.40073 28.9256
Pocket No.: 2; Query (leader) PDB : 4CPB; Ligand: GAL CN8; Similar sites found: 11
This union binding pocket(no: 2) in the query (biounit: 4cpb.bio3) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2CJF RP4 0.0309 0.40365 None
2 1TD2 PXL 0.01324 0.40065 None
3 4EIL CB3 0.02102 0.40041 2.47934
4 1SR7 MOF 0.01979 0.41577 5.78512
5 3CRZ NAP 0.0499 0.40773 8.26446
6 2OAZ I96 0.01205 0.42494 9.09091
7 1QZY TDE 0.01435 0.4185 9.09091
8 1FIQ MTE 0.02488 0.43931 10.7438
9 1FIQ SAL 0.02708 0.43931 10.7438
10 2QRD ATP 0.02085 0.41016 13.2231
11 2WFG ZZB 0.01251 0.42211 14.876
Feedback