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Receptor
PDB id Resolution Class Description Source Keywords
2V8L 1.8 Å EC: 3.2.1.3 CARBOHYDRATE-BINDING OF THE STARCH BINDING DOMAIN OF RHIZOPUS ORYZAE GLUCOAMYLASE IN COMPLEX WITH BETA- C YCLODEXTRIN AND MALTOHEPTAOSE RHIZOPUS ORYZAE HYDROLASE CARBOHYDRATE BINDING
Ref.: CRYSTAL STRUCTURES OF THE STARCH-BINDING DOMAIN FRO RHIZOPUS ORYZAE GLUCOAMYLASE REVEAL A POLYSACCHARIDE-BINDING PATH. BIOCHEM.J. V. 416 27 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC GLC GLC GLC GLC GLC GLC A:1108;
Valid;
none;
Kd = 5.1 uM
1134.99 n/a OCC1O...
ZN A:1107;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2V8L 1.8 Å EC: 3.2.1.3 CARBOHYDRATE-BINDING OF THE STARCH BINDING DOMAIN OF RHIZOPUS ORYZAE GLUCOAMYLASE IN COMPLEX WITH BETA- C YCLODEXTRIN AND MALTOHEPTAOSE RHIZOPUS ORYZAE HYDROLASE CARBOHYDRATE BINDING
Ref.: CRYSTAL STRUCTURES OF THE STARCH-BINDING DOMAIN FRO RHIZOPUS ORYZAE GLUCOAMYLASE REVEAL A POLYSACCHARIDE-BINDING PATH. BIOCHEM.J. V. 416 27 2008
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4BFO - GLC GLC GLC n/a n/a
2 2V8L Kd = 5.1 uM GLC GLC GLC GLC GLC GLC GLC n/a n/a
3 2V8M - GLC GLC GLC GLC GLC GLC GLC n/a n/a
4 4BFN - GLC GLC GLC GLC n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4BFO - GLC GLC GLC n/a n/a
2 2V8L Kd = 5.1 uM GLC GLC GLC GLC GLC GLC GLC n/a n/a
3 2V8M - GLC GLC GLC GLC GLC GLC GLC n/a n/a
4 4BFN - GLC GLC GLC GLC n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4BFO - GLC GLC GLC n/a n/a
2 2V8L Kd = 5.1 uM GLC GLC GLC GLC GLC GLC GLC n/a n/a
3 2V8M - GLC GLC GLC GLC GLC GLC GLC n/a n/a
4 4BFN - GLC GLC GLC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC GLC; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 RCD 1 1
2 BCD 1 1
3 GLC GLC GLC GLC GLC GLC 1 1
4 GLC GLC GLC GLC GLC GLC GLC 1 1
5 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
6 ACX 1 1
7 4CQ 0.529412 0.911765
8 GLC GLC GLC GLC 0.510638 0.939394
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2V8L; Ligand: GLC GLC GLC GLC GLC GLC GLC; Similar sites found with APoc: 21
This union binding pocket(no: 1) in the query (biounit: 2v8l.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 3JVH HHV None
2 1BKJ FMN None
3 5BO9 SIA GAL NGS 2.83019
4 3SUD SUE 2.83019
5 3BKR PLM 3.77358
6 4QTB 38Z 3.77358
7 3DLG GWE 5.66038
8 2YOH WMJ 6.60377
9 5KWY C3S 6.60377
10 1T57 FMN 7.54717
11 4BCM T7Z 7.54717
12 3EZ2 ADP 7.54717
13 5TUZ SAM 8.49057
14 5TUZ 7L6 8.49057
15 3KEE 30B 9.43396
16 2HKA C3S 9.43396
17 1MUU GDX 10.3774
18 1CTU ZEB 12.2642
19 3KF3 FRU 13.2075
20 5LXT GDP 14.1509
21 4XV1 904 14.1509
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