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 21 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 - NAG NAG NAG NAG NDG 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 17 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 - NAG NAG NAG NAG NDG 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 - NAG NAG NAG NAG NDG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAG NGO; Similar ligands found: 108
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG NGO 1 1
2 NAG NDG 0.605634 0.886792
3 NAG GDL 0.605634 0.886792
4 CBS CBS 0.605634 0.886792
5 CBS 0.605634 0.886792
6 MBG A2G 0.575342 0.867925
7 A2G MBG 0.575342 0.867925
8 NAG NAG NDG 0.573333 0.87037
9 NAG NAG NAG NAG NDG NAG 0.573333 0.87037
10 NAG NAG NAG 0.573333 0.87037
11 NDG NAG NAG NAG 0.573333 0.87037
12 NAG NAG NAG NAG NDG 0.573333 0.87037
13 NAG NAG NAG NAG NAG NAG 0.573333 0.87037
14 NDG NAG NAG NDG 0.573333 0.87037
15 NAG NAG NAG NDG 0.573333 0.87037
16 NAG NAG NAG NAG NAG 0.573333 0.87037
17 CTO 0.573333 0.87037
18 NAG NAG NAG NAG NAG NAG NAG NAG 0.573333 0.87037
19 NDG NAG NAG 0.573333 0.87037
20 NAG NAG NAG NAG 0.573333 0.87037
21 NDG NAG NAG NDG NAG 0.573333 0.87037
22 NAG MBG 0.540541 0.867925
23 MAN NAG 0.534247 0.865385
24 NAG NAG 0.532468 0.807018
25 NGA GAL BGC 0.531646 0.865385
26 GAL NAG 0.527027 0.865385
27 NAG GAL 0.527027 0.865385
28 NGA GAL 0.527027 0.865385
29 NAG GAL NAG 0.52439 0.886792
30 NAG A2G 0.52 0.886792
31 NAG NGA 0.52 0.886792
32 NOJ NAG NAG 0.517647 0.859649
33 NOJ NAG NAG NAG 0.517647 0.844828
34 NDG NAG 0.506494 0.87037
35 NAG GAL BGC 0.506024 0.865385
36 NGT NAG 0.5 0.864407
37 NAG MAN MMA 0.5 0.867925
38 3QL 0.493827 0.925926
39 DLD 0.488372 0.774194
40 2F8 0.485294 0.811321
41 MAG 0.485294 0.811321
42 6Y2 0.483146 0.705882
43 NG1 0.478873 0.666667
44 GN1 0.478873 0.666667
45 NAG NAG NAG NAG NAG NAG NAG 0.477778 0.79661
46 NGA GLA GAL BGC 0.477273 0.865385
47 NAG MUB 0.476744 0.888889
48 NAG AMU 0.476744 0.888889
49 FUC GAL A2G 0.47619 0.884615
50 FUC GLA A2G 0.47619 0.884615
51 NGA GAL FUC 0.47619 0.884615
52 A2G GAL FUC 0.47619 0.884615
53 FUC GL0 A2G 0.47619 0.884615
54 A2G GLA FUC 0.47619 0.884615
55 NAG NM9 0.470588 0.839286
56 NAG NAG NGT 0.466667 0.85
57 AH0 NAG 0.45977 0.892857
58 A2G GAL NAG FUC 0.457447 0.87037
59 SN5 SN5 0.455696 0.767857
60 MAN MAN NAG 0.453488 0.833333
61 NAG AMU NAG AMV 0.451613 0.872727
62 FUC BGC GAL NAG 0.451613 0.884615
63 CTO TMX 0.448276 0.774194
64 TCG 0.448276 0.774194
65 NAG MAN MAN 0.448276 0.865385
66 NAG MAN BMA 0.448276 0.865385
67 GUM 0.443299 0.8
68 A2G GAL BGC FUC 0.442105 0.884615
69 NAA NAA AMI 0.438776 0.764706
70 AO3 0.4375 0.772727
71 NAG BMA NAG MAN MAN NAG NAG 0.436893 0.87037
72 LEC NGA 0.434783 0.705882
73 NAG AH0 0.434783 0.927273
74 UMG 0.434343 0.8
75 NAG GAL FUC FUC A2G 0.43299 0.87037
76 FUC GAL NAG A2G FUC 0.43299 0.87037
77 BGC FUC GAL FUC A2G 0.431579 0.867925
78 GLC FUC GAL FUC A2G 0.431579 0.867925
79 GYU 0.43038 0.737705
80 NAG MAN MAN MAN NAG 0.430108 0.886792
81 3YW 0.428571 0.792453
82 NLC 0.423077 0.865385
83 NDG GAL 0.423077 0.865385
84 GAL NDG 0.423077 0.865385
85 BGA 0.42268 0.754098
86 NAG GAL GAL NAG 0.422222 0.886792
87 GAL NAG GAL NAG GAL NAG 0.422222 0.87037
88 MMA MAN NAG MAN NAG NAG 0.421053 0.854545
89 MAN NAG GAL 0.418605 0.865385
90 GAL NAG MAN 0.418605 0.865385
91 3PV 0.416667 0.888889
92 MA8 0.414634 0.77193
93 WZ5 0.414141 0.867925
94 TNR 0.4125 0.785714
95 NAG NAG BMA 0.411111 0.824561
96 NAG NDG BMA 0.411111 0.824561
97 NAG MAN BMA NDG MAN NAG GAL 0.407407 0.87037
98 NAG GAL GAL NAG GAL 0.406593 0.886792
99 8VZ 0.405063 0.87037
100 M5G 0.40367 0.886792
101 GLC GAL NAG GAL 0.402174 0.865385
102 NAG BDP NAG BDP NAG BDP NAG 0.402062 0.888889
103 NAG GCU NAG GCU NAG GCU 5AX 0.402062 0.888889
104 GLC GAL NAG GAL FUC A2G 0.401869 0.87037
105 A2G GAL NAG FUC GAL GLC 0.401869 0.87037
106 6ZC 0.4 0.661765
107 GAL NAG GAL 0.4 0.833333
108 LEC 0.4 0.661765
Similar Binding Sites (Proteins are less than 50% similar to leader)
Feedback