Receptor
PDB id Resolution Class Description Source Keywords
4HME 2.07 Å EC: 3.2.1.14 CRYSTAL STRUCTURE OF COLD-ADAPTED CHITINASE FROM MORITELLA M A REACTION PRODUCT - NAG2 VIBRIO MARINUS CHITINASE HYDROLAZE TIM-BARREL IG-LIKE IMMUNOGLOBULIN LIDOMAIN CHBD CHITIN BINDING DOMAIN HYDROLASE
Ref.: STRUCTURE OF A COMPLETE FOUR-DOMAIN CHITINASE FROM MARINA, A MARINE PSYCHROPHILIC BACTERIUM ACTA CRYSTALLOGR.,SECT.D V. 69 821 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:607;
A:604;
A:606;
A:605;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
NA A:603;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
NAG NAG B:1;
 Valid;
 none;
 submit data
408.404 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4MB4 1.48 Å EC: 3.2.1.14 CRYSTAL STRUCTURE OF E153Q MUTANT OF COLD-ADAPTED CHITINASE MORITELLA COMPLEX WITH NAG4 MORITELLA MARINA TIM-BARREL ALPHA/BETA-BARREL IG-LIKE IMMUNOGLOBULIN LIKE DCHBD CHITIN BINDING DOMAIN NAG4 CHITINASE HYDROLAZE LOACTIVITY MUTANT HYDROLASE
Ref.: CRYSTAL STRUCTURES OF SUBSTRATE-BOUND CHITINASE FRO PSYCHROPHILIC BACTERIUM MORITELLA MARINA AND ITS ST IN SOLUTION ACTA CRYSTALLOGR.,SECT.D V. 70 676 2014
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 4HME - NAG NAG n/a n/a
2 4HMD - NAG NGO n/a n/a
3 4MB4 - NAG NAG NAG NAG n/a n/a
4 4MB5 - NDG NAG NAG NAG NAG n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 4HME - NAG NAG n/a n/a
2 4HMD - NAG NGO n/a n/a
3 4MB4 - NAG NAG NAG NAG n/a n/a
4 4MB5 - NDG NAG NAG NAG NAG n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 4HME - NAG NAG n/a n/a
2 4HMD - NAG NGO n/a n/a
3 4MB4 - NAG NAG NAG NAG n/a n/a
4 4MB5 - NDG NAG NAG NAG NAG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAG NAG; Similar ligands found: 46
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG NAG 1 1
2 GDL NAG 0.608696 0.979592
3 NAG GCS GCS 0.607595 0.921569
4 NAG GAL 0.588235 0.918367
5 NAG NAG NAG NAG NAG NAG NAG NAG 0.575342 0.96
6 NDG NAG NAG NAG NAG 0.575342 0.96
7 NAG NAG NAG NAG NAG NAG 0.575342 0.96
8 NAG NAG NAG NAG NAG 0.575342 0.96
9 NAG GAL GAL 0.519481 0.918367
10 NAG NAG NAG TMX 0.518519 0.813559
11 NAG GAL NAG 0.506173 0.979592
12 NAG GAL FUC A2G 0.5 0.938776
13 NAG G6S 0.5 0.707692
14 ASG 0.492754 0.646154
15 NAG GAL NAG GAL 0.488095 0.979592
16 NAG GAL NAG GAL NAG GAL 0.488095 0.96
17 KPM 0.483146 0.886792
18 SN5 SN5 0.473684 0.811321
19 NAG GAL UNU 0.45977 0.921569
20 NAG NAG MAN MAN MAN 0.452632 0.979592
21 NAG NAG BMA MAN NAG 0.451613 0.96
22 NAG GAL FUC GLA 0.449438 0.938776
23 NAG GAL BEK 0.431579 0.827586
24 NDG 0.430769 0.816327
25 BM3 0.430769 0.816327
26 NAG 0.430769 0.816327
27 A2G 0.430769 0.816327
28 HSQ 0.430769 0.816327
29 NGA 0.430769 0.816327
30 NAG GAL BGC GAL 0.430233 0.918367
31 NAG BMA MAN MAN MAN MAN 0.421053 0.918367
32 ASG GC4 0.41573 0.681818
33 NAG GCU NAG GCD 0.413462 0.907407
34 NDG NAG 0.4125 0.96
35 GAL NAG GAL 0.411765 0.918367
36 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.41 0.918367
37 NAG GAL SIA 0.407767 0.942308
38 BGC GAL NGA 0.404762 0.918367
39 TVD GAL 0.402597 0.96
40 NAG NAG NAG NAG NAG NAG NAG 0.402299 0.924528
41 NAG NAG NAG 0.402299 0.924528
42 NAG NAG NAG NAG 0.402299 0.924528
43 MBG A2G 0.4 0.92
44 NAG NOJ NAG NAG 0.4 0.875
45 MAN NAG GAL 0.4 0.918367
46 NAG NOJ NAG 0.4 0.890909
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG NAG; Similar ligands found: 10
No: Ligand Similarity coefficient
1 NAG NGO 0.9606
2 NGT NAG 0.9302
3 SN5 NGT 0.9295
4 3QL 0.9276
5 GAL NAG 0.9035
6 NGA NAG 0.8967
7 NDG GAL 0.8890
8 MBG NAG 0.8829
9 GAL NGA 0.8823
10 BGC BGC 0.8526
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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