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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(C1C...
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: 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
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: 44
This union binding pocket(no: 1) in the query (biounit: 4olt.bio2) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 2GNK ATP None
2 5J6C FMN 0.995025
3 6MFL OPV 1.20968
4 5XQL C2E 1.6129
5 2DQA NAG NAG NAG 1.6129
6 3WUD GLC GAL 2.20588
7 5O2N NAG 2.41935
8 5O2N NAG NAG NDG NAG 2.41935
9 4K91 SIN 2.41935
10 1P9B HDA 2.82258
11 2OWZ CIT 2.82258
12 2XQO CTR 2.88066
13 1IS3 LAT 2.96296
14 2F6U CIT 2.99145
15 1J78 OLA 4.03226
16 5IDB BMA 4.22535
17 5IDB MAN 4.22535
18 5XSW NAG NDG 4.43548
19 1R4W GSH 4.86726
20 3VV1 GAL FUC 5
21 1C1L GAL BGC 5.10949
22 4J4V SVR 5.24194
23 1K7U NAG NAG 5.37634
24 1GPM AMP 5.64516
25 2OG2 MLI 5.64516
26 2X52 GYT 5.84795
27 1SLT NDG GAL 5.97015
28 4PYA 2X3 6.21118
29 5N6N SUC 6.25
30 2UVO NAG 6.43275
31 2UVO NDG 6.43275
32 1YQT ADP 6.85484
33 2WQ4 SFU 7.05128
34 6CFC BLG 7.25806
35 4N14 WR7 7.25806
36 1LSZ NDG NAG NAG NAG 7.48299
37 3K0T BGC 7.69231
38 5F7U GLC GLC 8.06452
39 5AO7 AH0 NAG 9.67742
40 2ALG DAO 9.78261
41 2EFX NFA 12.5
42 1A78 TDG 12.6866
43 5TCI MLI 15.7258
44 2C3W GLC GLC GLC GLC 25.4902
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