Receptor
PDB id Resolution Class Description Source Keywords
6JQB 1.1 Å EC: 3.2.1.60 THE STRUCTURE OF MALTOOLIGOSACCHARIDE-FORMING AMYLASE FROM P SACCHAROPHILA STB07 WITH PSEUDO-MALTOHEPTAOSE PELOMONAS SACCHAROPHILA MALTOOLIGOSACCHARIDE-FORMING AMYLASE SACCHAROPHILA STB07 SBINDING PROTEIN HYDROLASE
Ref.: STRUCTURE OF MALTOTETRAOSE-FORMING AMYLASE FROM PSE SACCHAROPHILA STB07 PROVIDES INSIGHTS INTO ITS PROD SPECIFICITY. INT.J.BIOL.MACROMOL. V. 154 1303 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
7SA A:605;
 Valid;
 none;
 submit data
1111.05 C44 H74 N2 O30 C[C@@...
EDO A:602;
A:601;
 Invalid;
Invalid;
 none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
CA A:604;
A:603;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6JQB 1.1 Å EC: 3.2.1.60 THE STRUCTURE OF MALTOOLIGOSACCHARIDE-FORMING AMYLASE FROM P SACCHAROPHILA STB07 WITH PSEUDO-MALTOHEPTAOSE PELOMONAS SACCHAROPHILA MALTOOLIGOSACCHARIDE-FORMING AMYLASE SACCHAROPHILA STB07 SBINDING PROTEIN HYDROLASE
Ref.: STRUCTURE OF MALTOTETRAOSE-FORMING AMYLASE FROM PSE SACCHAROPHILA STB07 PROVIDES INSIGHTS INTO ITS PROD SPECIFICITY. INT.J.BIOL.MACROMOL. V. 154 1303 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6JQB - 7SA C44 H74 N2 O30 C[C@@H]1[C....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6JQB - 7SA C44 H74 N2 O30 C[C@@H]1[C....
2 1QI4 - GLC GLC GLC GLC n/a n/a
3 1JDC - GLC GLC GLC GLC n/a n/a
4 1QPK - GLC GLC GLC GLC n/a n/a
5 1QI3 - GLC GLC GLC GLC n/a n/a
6 1JDD - GLC GLC GLC GLC n/a n/a
7 1QI5 - GLC GLC GLC GLC n/a n/a
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6JQB - 7SA C44 H74 N2 O30 C[C@@H]1[C....
2 1QI4 - GLC GLC GLC GLC n/a n/a
3 1JDC - GLC GLC GLC GLC n/a n/a
4 1QPK - GLC GLC GLC GLC n/a n/a
5 1QI3 - GLC GLC GLC GLC n/a n/a
6 1JDD - GLC GLC GLC GLC n/a n/a
7 1QI5 - GLC GLC GLC GLC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 7SA; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 7SA 1 1
2 ARE 0.842697 0.957447
3 AAO 0.842697 0.957447
4 ACG 0.833333 0.957447
5 ABC 0.742268 0.957447
6 QV4 0.684211 0.957447
7 6SA 0.682692 0.957447
8 GLC GLC GLD GLC ACI GLD GLC ACI GLD ACI 0.571429 0.959184
9 GLC AC1 GLC AC1 0.571429 0.959184
10 GLC GLC G6D GLC ACI G6D ACI 0.571429 0.959184
11 GLC GLC AC1 GLC GLC GLC 0.518519 0.918367
12 GLC GLC AGL HMC GLC 0.518519 0.918367
13 GLC GLC G6D GLC ACI GLC 0.518519 0.918367
14 BGC GLC GLD GLC ACI GLD GLC ACI G6D 0.518519 0.938776
15 TXT 0.514852 0.836735
16 GLC GLC GLC AC1 0.514563 0.918367
17 GLC GLC GLC GLC GLC GLC AC1 0.514563 0.918367
18 BGC GLC AGL GLC HMC AGL 0.495495 0.938776
19 GLC GLC G6D ACI 0.481481 0.918367
20 GLC GLC AGL HMC 0.472727 0.897959
21 GLC GLC AC1 0.456522 0.816327
22 GLC AGL HMC 0.438095 0.897959
23 BGC GLC AC1 GLC AC1 0.438017 0.921569
24 BGC GLC DAF GLC GLC GLC DAF 0.438017 0.921569
25 BGC GAL NGA 0.43 0.803922
26 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.426966 0.702128
27 MAN BMA BMA BMA BMA BMA BMA 0.426966 0.702128
28 GLC GLC GLC GLC BGC GLC GLC 0.426966 0.702128
29 GLC GLC G6D ADH GLC GLC 0.42 0.897959
30 BMA BMA BMA BMA 0.416667 0.666667
31 BGC GAL GLA NGA 0.407407 0.803922
32 BGC BGC BGC BGC BGC BGC BGC BGC 0.402062 0.702128
33 BGC GAL NGA GAL 0.4 0.803922
Similar Ligands (3D)
Ligand no: 1; Ligand: 7SA; 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 : 6JQB; Ligand: 7SA; 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: 6jqb.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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