Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:307;
A:307;
A:308;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
GCS GCS GCS GCS GCS GCS B:301;
A:301;
Valid;
Valid;
none;
none;
submit data
991.005 n/a O(C1O...
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 GCS GCS GCS; Similar ligands found: 66
No: Ligand ECFP6 Tc MDL keys Tc
1 GCS GCS GCS 1 1
2 GCS GCS GCS GCS GCS GCS 1 1
3 GCS GCS GCS GCS GCS 1 1
4 PA1 GCS 0.916667 1
5 GCS GCS 0.916667 1
6 GCS GCS NAG 0.432099 0.854167
7 GLC GAL 0.419355 0.804878
8 LAT 0.419355 0.804878
9 GLC BGC 0.419355 0.804878
10 B2G 0.419355 0.804878
11 CBI 0.419355 0.804878
12 MAL MAL 0.419355 0.785714
13 BMA BMA 0.419355 0.804878
14 GLA GAL 0.419355 0.804878
15 MAB 0.419355 0.804878
16 GAL GLC 0.419355 0.804878
17 CBK 0.419355 0.804878
18 GLA GLA 0.419355 0.804878
19 GAL BGC 0.419355 0.804878
20 BMA GAL 0.419355 0.804878
21 BGC GLC 0.419355 0.804878
22 LBT 0.419355 0.804878
23 N9S 0.419355 0.804878
24 MAL 0.419355 0.804878
25 BGC GAL 0.419355 0.804878
26 BGC BMA 0.419355 0.804878
27 MAN MAN BMA BMA BMA BMA 0.415385 0.804878
28 BGC GLC GLC GLC GLC 0.415385 0.804878
29 BGC BGC BGC GLC 0.415385 0.804878
30 BGC GLC GLC 0.415385 0.804878
31 BMA BMA BMA 0.415385 0.804878
32 CTT 0.415385 0.804878
33 BGC BGC BGC BGC BGC BGC 0.415385 0.804878
34 MAN BMA BMA BMA BMA 0.415385 0.804878
35 CTR 0.415385 0.804878
36 CE6 0.415385 0.804878
37 GLC GAL GAL 0.415385 0.804878
38 CE5 0.415385 0.804878
39 GLA GAL GLC 0.415385 0.804878
40 DXI 0.415385 0.804878
41 GLC BGC BGC BGC BGC BGC 0.415385 0.804878
42 GLC GLC GLC GLC GLC 0.415385 0.804878
43 GLC BGC GLC 0.415385 0.804878
44 BMA BMA BMA BMA BMA BMA 0.415385 0.804878
45 GLC GLC BGC 0.415385 0.804878
46 MTT 0.415385 0.804878
47 BMA BMA BMA BMA BMA 0.415385 0.804878
48 CEX 0.415385 0.804878
49 BMA MAN BMA 0.415385 0.804878
50 BGC GLC GLC GLC GLC GLC GLC 0.415385 0.804878
51 B4G 0.415385 0.804878
52 GAL GAL GAL 0.415385 0.804878
53 GLC GLC GLC GLC GLC GLC GLC 0.415385 0.804878
54 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.415385 0.804878
55 GLC BGC BGC BGC BGC 0.415385 0.804878
56 BGC GLC GLC GLC 0.415385 0.804878
57 MLR 0.415385 0.804878
58 CE8 0.415385 0.804878
59 MAN BMA BMA 0.415385 0.804878
60 CEY 0.415385 0.804878
61 GLC BGC BGC 0.415385 0.804878
62 GLC GLC BGC GLC GLC GLC GLC 0.415385 0.804878
63 GLC GLC GLC GLC GLC GLC GLC GLC 0.415385 0.804878
64 CT3 0.415385 0.804878
65 MT7 0.415385 0.804878
66 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.415385 0.804878
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: 21
This union binding pocket(no: 1) in the query (biounit: 4olt.bio2) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5J6C FMN 0.01388 0.40666 0.995025
2 5XQL C2E 0.04538 0.43409 1.6129
3 2DQA NAG NAG NAG 0.01376 0.42133 1.6129
4 5MPQ BLG 0.005384 0.43762 2.41935
5 4K91 SIN 0.03798 0.40035 2.41935
6 2F6U CIT 0.03418 0.40874 2.99145
7 1J78 OLA 0.01037 0.40823 4.03226
8 5IDB MAN 0.04429 0.40271 4.22535
9 5IDB BMA 0.04429 0.40271 4.22535
10 3VV1 GAL FUC 0.01923 0.42385 5
11 1K7U NAG NAG 0.008653 0.40671 5.37634
12 1GPM AMP 0.02576 0.41634 5.64516
13 2OG2 MLI 0.04512 0.41087 5.64516
14 2UVO NDG 0.003257 0.45449 6.43275
15 2UVO NAG 0.003257 0.45449 6.43275
16 2WQ4 SFU 0.04571 0.40877 7.05128
17 4N14 WR7 0.01074 0.43023 7.25806
18 5F7U GLC GLC 0.03055 0.41212 8.06452
19 5AO7 AH0 NAG 0.006183 0.40992 9.67742
20 1A78 TDG 0.0225 0.41407 12.6866
21 5TCI MLI 0.01398 0.42737 15.7258
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