Receptor
PDB id Resolution Class Description Source Keywords
3K02 1.55 Å NON-ENZYME: BINDING CRYSTAL STRUCTURES OF THE GACH RECEPTOR OF STREPTOMYCES GLAU GLA.O IN THE UNLIGANDED FORM AND IN COMPLEX WITH ACARBOSE AA CARBOSE HOMOLOG. COMPARISON WITH ACARBOSE-LOADED MALTOSE BPR OTEIN OF SALMONELLA TYPHIMURIUM. STREPTOMYCES GLAUCESCENS ACARBOSE ABC TRANSPORTER ACARBOSE-BINDING PROTEIN STREPTOGLAUCESCENS TRANSPORT PROTEIN
Ref.: CRYSTAL STRUCTURES OF THE SOLUTE RECEPTOR GACH OF STREPTOMYCES GLAUCESCENS IN COMPLEX WITH ACARBOSE A ACARBOSE HOMOLOG: COMPARISON WITH THE ACARBOSE-LOAD MALTOSE-BINDING PROTEIN OF SALMONELLA TYPHIMURIUM. J.MOL.BIOL. V. 397 709 20
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:406;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
TXT A:405;
 Valid;
 none;
 Kd = 10 uM
809.761 C31 H55 N O23 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3K00 1.55 Å NON-ENZYME: BINDING CRYSTAL STRUCTURES OF THE GACH RECEPTOR OF STREPTOMYCES GLAU GLA.O IN THE UNLIGANDED FORM AND IN COMPLEX WITH ACARBOSE AA CARBOSE HOMOLOG. COMPARISON WITH ACARBOSE-LOADED MALTOSE BPR OTEIN OF SALMONELLA TYPHIMURIUM. STREPTOMYCES GLAUCESCENS TETRAMALTOSE ACARBOSE ABC TRANSPORTER ACARBOSE-BINDING PRSTREPTOMYCES GLAUCESCENS TRANSPORT PROTEIN
Ref.: CRYSTAL STRUCTURES OF THE SOLUTE RECEPTOR GACH OF STREPTOMYCES GLAUCESCENS IN COMPLEX WITH ACARBOSE A ACARBOSE HOMOLOG: COMPARISON WITH THE ACARBOSE-LOAD MALTOSE-BINDING PROTEIN OF SALMONELLA TYPHIMURIUM. J.MOL.BIOL. V. 397 709 20
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 3K02 Kd = 10 uM TXT C31 H55 N O23 C[C@@H]1[C....
2 3K00 Kd = 1.7 uM GLC GLC GLC GLC n/a n/a
3 3JZJ Kd = 248 uM GLC GLC AC1 n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 3K02 Kd = 10 uM TXT C31 H55 N O23 C[C@@H]1[C....
2 3K00 Kd = 1.7 uM GLC GLC GLC GLC n/a n/a
3 3JZJ Kd = 248 uM GLC GLC AC1 n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 3K02 Kd = 10 uM TXT C31 H55 N O23 C[C@@H]1[C....
2 3K00 Kd = 1.7 uM GLC GLC GLC GLC n/a n/a
3 3JZJ Kd = 248 uM GLC GLC AC1 n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TXT; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 TXT 1 1
2 GAL GLC GLD ACI 0.561798 0.955556
3 ARE 0.540816 0.87234
4 AAO 0.540816 0.87234
5 ACG 0.535354 0.833333
6 GLC GLC AC1 0.531646 0.888889
7 BGC GLC AC1 GLC GLC GLC AC1 0.515464 0.914894
8 GLC GLC GLC DAF DAF 0.515464 0.914894
9 BGC G6D GLC ACI G6D ACI 0.515464 0.914894
10 7SA 0.514852 0.836735
11 BGC DAF 0.505618 0.955556
12 MAN BMA BMA BMA BMA BMA BMA 0.5 0.767442
13 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.5 0.767442
14 GLC GLC GLC GLC BGC GLC GLC 0.5 0.767442
15 ABC 0.485714 0.833333
16 BGC GAL NGA 0.477273 0.87234
17 G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D 0.47561 0.790698
18 GLC GLC GLC G6D ACI GLC GLC 0.47 0.955556
19 BGC BGC BGC BGC BGC BGC BGC BGC 0.464286 0.767442
20 BGC GLC AGL GLC GLC GLC 0.458333 0.854167
21 BGC GAL GLA NGA 0.447917 0.87234
22 BMA BMA BMA BMA 0.447059 0.727273
23 BGC GAL NGA GAL 0.44086 0.87234
24 BMA BMA BMA BMA GLA 0.438202 0.767442
25 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.438202 0.767442
26 GLC GAL BGC FUC 0.436782 0.790698
27 BGC GAL FUC 0.436782 0.790698
28 6SA 0.433628 0.87234
29 GLC BGC G6D ACI 0.43 0.955556
30 GLC GLC GLC GLC GLC GLC AC1 0.43 0.836735
31 GLC GLC GLC AC1 0.43 0.836735
32 BGC GAL GLA NGA GAL 0.428571 0.87234
33 GLC GLC GLC GLC GLC 0.426966 0.767442
34 BGC GLC GLC GLC 0.426966 0.767442
35 BGC GAL GLA 0.416667 0.767442
36 QV4 0.413462 0.87234
37 GLC GLC AC1 GLC GLC GLC 0.411215 0.836735
38 BGC GLC GLD GLC ACI GLD GLC ACI G6D 0.411215 0.784314
39 GLC GLC AGL HMC GLC 0.411215 0.836735
40 GLC GLC G6D GLC ACI GLC 0.411215 0.836735
41 BGC BGC BGC XYS 0.410526 0.772727
42 QPU 0.408602 0.911111
43 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.408163 0.772727
44 BGC BGC BGC BGC BGC XYS 0.408163 0.772727
45 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.408163 0.772727
46 G3I 0.404494 0.829787
47 G2I 0.404494 0.829787
48 BGC Z9D 0.402439 0.790698
49 BGC GAL FUC GLA 0.4 0.790698
50 BGC GLC AC1 GLC AC1 0.4 0.843137
51 BGC GLC DAF GLC GLC GLC DAF 0.4 0.843137
52 BMA MAN NAG 0.4 0.87234
Similar Ligands (3D)
Ligand no: 1; Ligand: TXT; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3K00; Ligand: GLC GLC GLC GLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3k00.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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