Receptor
PDB id Resolution Class Description Source Keywords
1QGI 1.6 Å EC: 3.2.1.132 CHITOSANASE FROM BACILLUS CIRCULANS BACILLUS CIRCULANS HYDROLASE CHITOSAN DEGRADATION
Ref.: CRYSTAL STRUCTURE OF CHITOSANASE FROM BACILLUS CIRC MH-K1 AT 1.6-A RESOLUTION AND ITS SUBSTRATE RECOGNI MECHANISM. J.BIOL.CHEM. V. 274 30818 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:500;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
NAG GCS GCS B:1;
 Valid;
 none;
 submit data
529.54 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QGI 1.6 Å EC: 3.2.1.132 CHITOSANASE FROM BACILLUS CIRCULANS BACILLUS CIRCULANS HYDROLASE CHITOSAN DEGRADATION
Ref.: CRYSTAL STRUCTURE OF CHITOSANASE FROM BACILLUS CIRC MH-K1 AT 1.6-A RESOLUTION AND ITS SUBSTRATE RECOGNI MECHANISM. J.BIOL.CHEM. V. 274 30818 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1QGI - NAG GCS GCS 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 2 families.
1 1QGI - NAG GCS GCS 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 2 families.
1 1QGI - NAG GCS GCS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAG GCS GCS; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG GCS GCS 1 1
2 NAG NAG 0.607595 0.921569
3 NAG GAL 0.545455 0.918367
4 GDL NAG 0.506173 0.901961
5 NAG NAG NAG NAG NAG NAG 0.5 0.884615
6 NDG NAG NAG NAG NAG 0.5 0.884615
7 NAG NAG NAG NAG NAG NAG NAG NAG 0.5 0.884615
8 NAG NAG NAG NAG NAG 0.5 0.884615
9 NAG G6S 0.488636 0.707692
10 NAG GAL GAL 0.488372 0.918367
11 NAG GAL NAG GAL 0.462366 0.901961
12 NAG GAL NAG GAL NAG GAL 0.462366 0.884615
13 NAG GAL NAG 0.461538 0.901961
14 NAG NAG NAG TMX 0.456522 0.783333
15 NAG GAL FUC A2G 0.455556 0.9
16 NAG GAL UNU 0.452632 0.884615
17 ASG 0.443038 0.621212
18 GCS GCS GCS GCS GCS GCS 0.426829 0.877551
19 GCS GCS GCS GCS GCS GCS GCS GCS 0.426829 0.877551
20 NAG GAL BGC GAL 0.425532 0.918367
21 NAG GCU NAG GCD 0.423423 0.872727
22 NAG NAG MAN MAN MAN 0.419048 0.901961
23 NAG NAG BMA MAN NAG 0.417476 0.884615
24 KPM 0.415842 0.818182
25 NAG GAL FUC GLA 0.414141 0.9
26 NAG GAL BEK 0.413462 0.766667
27 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.407407 0.918367
28 NAG BMA MAN MAN MAN MAN 0.403846 0.918367
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG GCS GCS; 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 : 1QGI; Ligand: NAG GCS GCS; 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: 1qgi.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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