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 CHITOSANGLYCOSIDE HYDROLASE CHITOSANASE OU01CHITO-OLIGOMEHYDROLYSIS 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 B:305;
A:303;
B:302;
Valid;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0;
none;
none;
submit data
504.51 n/a O(C1C...
GOL B:301;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
GCS GCS A:301;
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
Ligand no: 1; Ligand: GCS GCS GCS; Similar ligands found: 65
No: Ligand ECFP6 Tc MDL keys Tc
1 GCS GCS GCS 1 1
2 GCS GCS GCS GCS GCS 1 1
3 GCS GCS GCS GCS GCS GCS 1 1
4 GCS GCS 0.916667 1
5 PA1 GCS 0.916667 1
6 GCS GCS NAG 0.426829 0.877551
7 GLA GLA 0.419355 0.767442
8 BMA GAL 0.419355 0.767442
9 CBK 0.419355 0.767442
10 GAL BGC 0.419355 0.767442
11 LAT 0.419355 0.767442
12 CBI 0.419355 0.767442
13 LBT 0.419355 0.767442
14 B2G 0.419355 0.767442
15 MAB 0.419355 0.767442
16 MAL 0.419355 0.767442
17 BGC GAL 0.419355 0.767442
18 GLC GAL 0.419355 0.767442
19 N9S 0.419355 0.767442
20 BGC BMA 0.419355 0.767442
21 GLA GAL 0.419355 0.767442
22 BGC GLC GLC GLC 0.415385 0.767442
23 MT7 0.415385 0.767442
24 BGC BGC BGC BGC BGC 0.415385 0.767442
25 BGC BGC BGC BGC BGC BGC 0.415385 0.767442
26 MAN BMA BMA BMA BMA BMA 0.415385 0.767442
27 GLC GLC BGC 0.415385 0.767442
28 CTT 0.415385 0.767442
29 CE6 0.415385 0.767442
30 GLC BGC BGC 0.415385 0.767442
31 B4G 0.415385 0.767442
32 BMA MAN BMA 0.415385 0.767442
33 CEY 0.415385 0.767442
34 GLA GAL BGC 0.415385 0.767442
35 CT3 0.415385 0.767442
36 GLA GAL GLC 0.415385 0.767442
37 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.415385 0.767442
38 BMA BMA BMA BMA BMA BMA 0.415385 0.767442
39 BGC GLC GLC 0.415385 0.767442
40 MAN MAN BMA BMA BMA BMA 0.415385 0.767442
41 DXI 0.415385 0.767442
42 GLC BGC GLC 0.415385 0.767442
43 CE5 0.415385 0.767442
44 BGC BGC BGC BGC 0.415385 0.767442
45 BGC GLC GLC GLC GLC GLC GLC 0.415385 0.767442
46 GAL GAL GAL 0.415385 0.767442
47 CE8 0.415385 0.767442
48 BGC GLC GLC GLC GLC 0.415385 0.767442
49 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.415385 0.767442
50 CTR 0.415385 0.767442
51 BMA BMA BMA 0.415385 0.767442
52 GLC GLC GLC GLC GLC 0.415385 0.767442
53 CEX 0.415385 0.767442
54 GLC BGC BGC BGC BGC 0.415385 0.767442
55 BGC BGC GLC 0.415385 0.767442
56 BGC BGC BGC 0.415385 0.767442
57 MAN BMA BMA 0.415385 0.767442
58 MLR 0.415385 0.767442
59 BGC BGC BGC GLC 0.415385 0.767442
60 MAN BMA BMA BMA BMA 0.415385 0.767442
61 GLC BGC BGC BGC 0.415385 0.767442
62 BMA BMA BMA BMA BMA 0.415385 0.767442
63 GLC BGC BGC BGC BGC BGC 0.415385 0.767442
64 GLC GAL GAL 0.415385 0.767442
65 MTT 0.415385 0.767442
Ligand no: 2; Ligand: GCS GCS; Similar ligands found: 64
No: Ligand ECFP6 Tc MDL keys Tc
1 PA1 GCS 1 1
2 GCS GCS 1 1
3 GCS GCS GCS GCS GCS 0.916667 1
4 GCS GCS GCS 0.916667 1
5 GCS GCS GCS GCS GCS GCS 0.916667 1
6 CBK 0.448276 0.767442
7 GLA GLA 0.448276 0.767442
8 LAT 0.448276 0.767442
9 CBI 0.448276 0.767442
10 B2G 0.448276 0.767442
11 LBT 0.448276 0.767442
12 GAL BGC 0.448276 0.767442
13 BMA GAL 0.448276 0.767442
14 MAB 0.448276 0.767442
15 GLA GAL 0.448276 0.767442
16 MAL 0.448276 0.767442
17 BGC BMA 0.448276 0.767442
18 N9S 0.448276 0.767442
19 BGC GAL 0.448276 0.767442
20 GLC GAL 0.448276 0.767442
21 BMA BMA BMA BMA BMA BMA 0.419355 0.767442
22 BGC GLC GLC GLC 0.419355 0.767442
23 BGC BGC BGC BGC BGC 0.419355 0.767442
24 BGC BGC BGC BGC BGC BGC 0.419355 0.767442
25 MAN BMA BMA BMA BMA BMA 0.419355 0.767442
26 GLC GLC BGC 0.419355 0.767442
27 CTT 0.419355 0.767442
28 CE6 0.419355 0.767442
29 MT7 0.419355 0.767442
30 GLA GAL BGC 0.419355 0.767442
31 GLC BGC BGC 0.419355 0.767442
32 BMA MAN BMA 0.419355 0.767442
33 B4G 0.419355 0.767442
34 CEY 0.419355 0.767442
35 CT3 0.419355 0.767442
36 GLA GAL GLC 0.419355 0.767442
37 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.419355 0.767442
38 BGC GLC GLC 0.419355 0.767442
39 MAN MAN BMA BMA BMA BMA 0.419355 0.767442
40 DXI 0.419355 0.767442
41 GLC BGC GLC 0.419355 0.767442
42 CE5 0.419355 0.767442
43 BGC BGC BGC BGC 0.419355 0.767442
44 BGC GLC GLC GLC GLC GLC GLC 0.419355 0.767442
45 GAL GAL GAL 0.419355 0.767442
46 CE8 0.419355 0.767442
47 BGC GLC GLC GLC GLC 0.419355 0.767442
48 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.419355 0.767442
49 CTR 0.419355 0.767442
50 BMA BMA BMA 0.419355 0.767442
51 GLC GLC GLC GLC GLC 0.419355 0.767442
52 CEX 0.419355 0.767442
53 GLC BGC BGC BGC BGC 0.419355 0.767442
54 BGC BGC GLC 0.419355 0.767442
55 BGC BGC BGC 0.419355 0.767442
56 MLR 0.419355 0.767442
57 MAN BMA BMA 0.419355 0.767442
58 BGC BGC BGC GLC 0.419355 0.767442
59 GLC BGC BGC BGC 0.419355 0.767442
60 MAN BMA BMA BMA BMA 0.419355 0.767442
61 BMA BMA BMA BMA BMA 0.419355 0.767442
62 GLC BGC BGC BGC BGC BGC 0.419355 0.767442
63 GLC GAL GAL 0.419355 0.767442
64 MTT 0.419355 0.767442
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4OLT; Ligand: GCS GCS GCS GCS 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: 4olt.bio2) has 32 residues
No: Leader PDB Ligand Sequence Similarity
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