Receptor
PDB id Resolution Class Description Source Keywords
1LLO 1.85 Å EC: 3.2.1.14 HEVAMINE A (A PLANT ENDOCHITINASE/LYSOZYME) COMPLEXED WITH A HEVEA BRASILIENSIS CHITINASE LYSOZYME HYDROLASE
Ref.: STEREOCHEMISTRY OF CHITIN HYDROLYSIS BY A PLANT CHITINASE/LYSOZYME AND X-RAY STRUCTURE OF A COMPLEX ALLOSAMIDIN: EVIDENCE FOR SUBSTRATE ASSISTED CATALY BIOCHEMISTRY V. 34 15619 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAA AMI NAA B:1;
Valid;
none;
submit data
622.625 n/a O=C(N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LLO 1.85 Å EC: 3.2.1.14 HEVAMINE A (A PLANT ENDOCHITINASE/LYSOZYME) COMPLEXED WITH A HEVEA BRASILIENSIS CHITINASE LYSOZYME HYDROLASE
Ref.: STEREOCHEMISTRY OF CHITIN HYDROLYSIS BY A PLANT CHITINASE/LYSOZYME AND X-RAY STRUCTURE OF A COMPLEX ALLOSAMIDIN: EVIDENCE FOR SUBSTRATE ASSISTED CATALY BIOCHEMISTRY V. 34 15619 1995
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 1KR1 - NAG NAG NAG NAG n/a n/a
2 1LLO - NAA AMI NAA n/a n/a
3 1KQZ - NAG NAG NAG NAG n/a n/a
4 1HVQ - NAG NAG NAG n/a n/a
5 1KQY - NAG NAG NAG NAG NAG n/a n/a
6 1KR0 - NAG NAG NAG NAG n/a n/a
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 1KR1 - NAG NAG NAG NAG n/a n/a
2 1LLO - NAA AMI NAA n/a n/a
3 1KQZ - NAG NAG NAG NAG n/a n/a
4 1HVQ - NAG NAG NAG n/a n/a
5 1KQY - NAG NAG NAG NAG NAG n/a n/a
6 1KR0 - NAG NAG NAG NAG n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 1KR1 - NAG NAG NAG NAG n/a n/a
2 1LLO - NAA AMI NAA n/a n/a
3 1KQZ - NAG NAG NAG NAG n/a n/a
4 1HVQ - NAG NAG NAG n/a n/a
5 1KQY - NAG NAG NAG NAG NAG n/a n/a
6 1KR0 - NAG NAG NAG NAG n/a n/a
7 3M7S - BGC BGC n/a n/a
8 4B16 Ka = 2900 M^-1 NAG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAA AMI NAA; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 AO3 1 1
2 NAA AMI NAA 1 1
3 NAA AMI NA1 0.850575 0.984848
4 NAG NGT NAG 0.574468 0.797101
5 NAG NAG NAG NAG NAG 0.55814 0.753846
6 NAG NAG NAG NAG NAG NAG NAG NAG 0.55814 0.753846
7 NDG NAG NAG NAG NAG 0.55814 0.753846
8 NAG NAG NAG NAG NAG NAG 0.55814 0.753846
9 NAG NAG NAG NAG NAG NAG NAG 0.516129 0.710145
10 NAG NAG NAG NAG 0.516129 0.710145
11 NAG NAG NAG 0.516129 0.710145
12 GDL NAG 0.511628 0.738462
13 NGT NAG 0.510638 0.782609
14 NAG NOJ NAG 0.510417 0.690141
15 NAG NOJ NAG NAG 0.510417 0.704225
16 MBG A2G 0.505747 0.723077
17 Z4S NAG NAG 0.494845 0.787879
18 Z3Q NGA 0.489583 0.675676
19 AMV NAG AMU NAG 0.480392 0.757576
20 BGC GAL NGA 0.473118 0.692308
21 6Y2 0.465347 0.675325
22 BMA MAN NAG 0.458333 0.692308
23 NAG NGO 0.458333 0.761194
24 NAG NAG BMA MAN NAG 0.45283 0.753846
25 SN5 NGT SN5 0.45098 0.714286
26 UMG 0.449541 0.704225
27 NAG NAG NAG TMX 0.44898 0.808824
28 NAG GAL NAG 0.438776 0.738462
29 MAN NAG 0.438202 0.692308
30 MAN NAG GAL 0.4375 0.692308
31 NDG NAG 0.434783 0.753846
32 GAL NAG GAL 0.43299 0.692308
33 GUM 0.431193 0.704225
34 NAG NAG BMA 0.43 0.695652
35 A2G NAG 0.428571 0.738462
36 MBG NAG 0.428571 0.723077
37 BGC GAL NAG 0.424242 0.692308
38 BMA MAN MAN NAG GAL NAG 0.421053 0.738462
39 GAL NGA 0.419355 0.656716
40 BGC GAL GLA NGA 0.417476 0.692308
41 BDP NPO NDG BDP NDG 0.415254 0.675325
42 3QL 0.412371 0.772727
43 NAG GAL NAG GAL 0.411765 0.738462
44 NAG GAL NAG GAL NAG GAL 0.411765 0.753846
45 GAL NAG GAL NAG GAL 0.411765 0.738462
46 NAG NAG BMA MAN MAN NAG GAL NAG 0.408333 0.753846
47 SN5 NGT 0.405941 0.714286
48 MMA MAN NAG 0.40404 0.723077
49 GAL NGA A2G 0.402062 0.738462
50 AMU NAG 0.401961 0.742424
51 NAG NAG BMA MAN MAN NAG NAG 0.401639 0.710145
52 NDG BMA MAN MAN NAG GAL NAG 0.4 0.753846
Similar Ligands (3D)
Ligand no: 1; Ligand: NAA AMI NAA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LLO; Ligand: NAA AMI NAA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1llo.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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