Receptor
PDB id Resolution Class Description Source Keywords
4HMD 2.26 Å EC: 3.2.1.14 CRYSTAL STRUCTURE OF COLD-ADAPTED CHITINASE FROM MORITELLA M A REACTION INTERMEDIATE - OXAZOLINIUM ION (NGO) VIBRIO MARINUS CHITINASE HYDROLAZE TIM-BARREL IG-LIKE IMMUNOGLOBULIN LIDOMAIN CHB D 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
NAG NGO A:901;
Valid;
none;
submit data
409.412 n/a O=C(N...
GOL A:904;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NA A:903;
Part of Protein;
none;
submit data
22.99 Na [Na+]
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 NGO; Similar ligands found: 68
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG NGO 1 1
2 GDL NAG 0.567568 0.87037
3 MBG A2G 0.56 0.851852
4 NAG NAG NAG NAG NAG 0.538462 0.854545
5 NDG NAG NAG NAG NAG 0.538462 0.854545
6 NAG NAG NAG NAG NAG NAG 0.538462 0.854545
7 NAG NAG NAG NAG NAG NAG NAG NAG 0.538462 0.854545
8 MAN NAG 0.52 0.849057
9 BGC GAL NGA 0.518519 0.849057
10 NDG NAG 0.512821 0.854545
11 NAG NAG NAG NAG 0.511905 0.79661
12 NAG NAG NAG 0.511905 0.79661
13 NAG NAG NAG NAG NAG NAG NAG 0.511905 0.79661
14 MBG NAG 0.506494 0.851852
15 A2G NAG 0.506494 0.87037
16 Z3Q NGA 0.5 0.75
17 BMA MAN NAG 0.5 0.849057
18 GAL NGA 0.493671 0.8
19 Z4S NAG NAG 0.488636 0.892857
20 NAG NOJ NAG NAG 0.488636 0.847458
21 NAG NOJ NAG 0.488636 0.862069
22 NGT NAG 0.488372 0.85
23 3QL 0.481928 0.909091
24 BGC GAL NAG 0.476744 0.849057
25 NAG GAL NAG 0.476744 0.87037
26 2F8 0.471429 0.796296
27 MAG 0.471429 0.796296
28 GAL NGA A2G 0.46988 0.87037
29 GAL FUC A2G 0.465116 0.867925
30 NM9 NAG 0.45977 0.857143
31 NAA AMI NAA 0.458333 0.761194
32 AO3 0.458333 0.761194
33 6Y2 0.456522 0.695652
34 NAG NGT NAG 0.456522 0.836066
35 3YW 0.454545 0.777778
36 MMA MAN NAG 0.453488 0.851852
37 BGC GAL GLA NGA 0.450549 0.849057
38 AH0 NAG 0.449438 0.877193
39 AMU NAG 0.449438 0.872727
40 GN1 0.445946 0.65625
41 NG1 0.445946 0.65625
42 MAN MAN NAG 0.443182 0.818182
43 AMV NAG AMU NAG 0.442105 0.857143
44 GUM 0.434343 0.786885
45 BGC GAL FUC A2G 0.43299 0.867925
46 NAG NAG BMA MAN NAG 0.428571 0.854545
47 BGC FUC GAL NAG 0.427083 0.867925
48 SN5 SN5 0.426829 0.754386
49 UMG 0.425743 0.786885
50 NAG AH0 0.425532 0.910714
51 HSH A2G FUC 0.42268 0.741935
52 BGC FUC GAL FUC A2G 0.42268 0.851852
53 NAG NAG NAG TMX 0.422222 0.761905
54 SER A2G 0.419753 0.821429
55 TNR 0.419753 0.803571
56 GYU 0.419753 0.725806
57 NAG NAG BMA 0.417582 0.810345
58 MMA MAN NAG MAN NAG NAG 0.412371 0.839286
59 BMA Z4Y NAG 0.410526 0.833333
60 LEC NGA 0.410526 0.695652
61 NAG FUC GAL FUC A2G 0.41 0.854545
62 NAG GAL FUC FUC A2G 0.41 0.854545
63 MAN NAG GAL 0.409091 0.849057
64 GYP GZL NAG 0.408163 0.872727
65 MAN MAN MAN NAG NAG 0.40625 0.87037
66 NAG GAL GLC NAG GLC RAM 0.40625 0.87037
67 MA8 0.404762 0.789474
68 GAL NAG GAL 0.404494 0.849057
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG NGO; Similar ligands found: 2
No: Ligand Similarity coefficient
1 NAG NAG 0.9606
2 SN5 NGT 0.9548
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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