Receptor
PDB id Resolution Class Description Source Keywords
4QWP 1.7 Å EC: 3.2.1.132 CO-CRYSTAL STRUCTURE OF CHITOSANASE OU01 WITH SUBSTRATE PSEUDOMONAS SP. A-01 CHITOSAN GLYCOSIDE HYDROLASE CHITOSANASE OU01 CHITO-OLIGOHYDROLYSIS HYDROLASE
Ref.: STRUCTURAL AND BIOCHEMICAL INSIGHTS INTO THE DEGRAD MECHANISM OF CHITOSAN BY CHITOSANASE OU01. BIOCHIM.BIOPHYS.ACTA V.1850 1953 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GCS GCS GCS E:1;
F:1;
D:1;
 Valid;
Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.059;
none;
none;
 submit data
472.512 n/a O(C1C...
GOL B:301;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
GCS GCS C:1;
 Valid;
 none;
 submit data
342.345 n/a O(C1C...
ACT A:306;
 Invalid;
 none;
 submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OLT 1.59 Å EC: 3.2.1.132 CHITOSANASE COMPLEX STRUCTURE PSEUDOMONAS SP. LL2(2010) CHITOSANASE GLYCOSIDE HYDROLASE CHITOSAN HYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO THE SUBSTRATE-BINDING MECH A NOVEL CHITOSANASE. BIOCHEM.J. V. 461 335 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4OLT - GCS GCS GCS GCS GCS GCS n/a n/a
2 4QWP - GCS GCS n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4OLT - GCS GCS GCS GCS GCS GCS n/a n/a
2 4QWP - GCS GCS n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4OLT - GCS GCS GCS GCS GCS GCS n/a n/a
2 4QWP - GCS GCS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GCS GCS GCS; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GCS GCS GCS 1 1
2 GCS GCS GCS GCS GCS 0.723077 0.9375
3 GCS GCS GCS GCS GCS GCS GCS GCS 0.58209 0.914894
4 GCS GCS GCS GCS GCS GCS 0.58209 0.914894
5 GCS GCS 0.522388 0.914894
Ligand no: 2; Ligand: GCS GCS; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 GCS GCS 1 1
2 GCS GCS GCS GCS GCS GCS GCS GCS 0.916667 1
3 GCS GCS GCS GCS GCS GCS 0.916667 1
4 GCS GCS GCS GCS GCS 0.580645 0.934783
5 GCS GCS GCS 0.522388 0.914894
6 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.419355 0.767442
7 MAN BMA BMA BMA BMA BMA BMA 0.419355 0.767442
8 GLC GLC GLC GLC BGC GLC GLC 0.419355 0.767442
Similar Ligands (3D)
Ligand no: 1; Ligand: GCS GCS GCS; Similar ligands found: 13
No: Ligand Similarity coefficient
1 BGC BGC BGC 0.9773
2 GLC BGC BGC 0.9672
3 GLC SHD Z6H 0.9369
4 BMA BMA BGC 0.9304
5 BGC OXZ BGC 0.9276
6 G2I 0.9267
7 SGC SGC BGC 0.9229
8 BMA BMA BMA 0.9140
9 MAN BMA BMA 0.8986
10 GTM BGC BGC 0.8955
11 GCU MAV MAW 0.8884
12 GS1 GLC GS1 0.8881
13 XYP XYP XYP 0.8773
Ligand no: 2; Ligand: GCS GCS; Similar ligands found: 66
No: Ligand Similarity coefficient
1 BGC BGC 0.9933
2 SHG BGC 0.9702
3 GLC BGC 0.9690
4 BGC GAL 0.9658
5 SGC BGC 0.9649
6 BGC Z9D 0.9580
7 BGC OXZ 0.9578
8 9MR 0.9571
9 GLC GLC 0.9561
10 ABL 0.9557
11 IFM BGC 0.9523
12 PA1 GCS 0.9508
13 MGL SGC 0.9478
14 NOY BGC 0.9471
15 BMA BGC 0.9471
16 GLC GAL 0.9448
17 BMA BMA 0.9399
18 IDC 0.9274
19 BMA GAL 0.9264
20 IFM BMA 0.9253
21 BMA IFM 0.9253
22 MGL GAL 0.9234
23 FRU GAL 0.9051
24 MAN BMA 0.9047
25 SGC GLC 0.9027
26 BEM BEM 0.8998
27 ISX 0.8990
28 MVL BMA 0.8981
29 BEM LGU 0.8980
30 XYP XYP 0.8970
31 SA0 0.8963
32 NAG BDP 0.8962
33 6EN 0.8960
34 MYG 0.8956
35 BNY 0.8912
36 BMA MVL 0.8900
37 NAG GAL 0.8870
38 NAG GCD 0.8827
39 NOK GAL 0.8823
40 GAL NOK 0.8823
41 GLO BGC 0.8807
42 GAL NGT 0.8798
43 NGT GAL 0.8782
44 6GR 0.8775
45 MAV BEM 0.8772
46 38E 0.8772
47 NAG GAD 0.8762
48 NAG GC4 0.8755
49 NFG 0.8750
50 9CE 0.8736
51 GAL GC2 0.8735
52 GRI 0.8700
53 NAB 0.8696
54 BGC XGP 0.8679
55 GS1 GS1 0.8678
56 RR7 GLC 0.8658
57 6BK 0.8658
58 GAL FUC 0.8650
59 XYS XYP 0.8644
60 145 0.8624
61 GLA BEZ 0.8602
62 XDL XYP 0.8582
63 NOM 0.8574
64 IDD 0.8550
65 JRO 0.8546
66 GLC DMJ 0.8534
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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