Receptor
PDB id Resolution Class Description Source Keywords
4ZGR 1.97 Å EC: 3.2.2.22 STRUCTURAL STUDIES ON A NON-TOXIC HOMOLOGUE OF TYPE II RIPS MOMORDICA CHARANTIA (BITTER GOURD) IN COMPLEX WITH T-ANTIGE MOMORDICA CHARANTIA BETA-TREFOIL TYPE II RIPS GALACTOSE BINDING LECTIN HYDROL
Ref.: STRUCTURAL STUDIES ON A NON-TOXIC HOMOLOGUE OF TYPE FROM BITTER GOURD: MOLECULAR BASIS OF NON-TOXICITY, CONFORMATIONAL SELECTION AND GLYCAN STRUCTURE. J.BIOSCI. V. 40 929 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG FUC NAG BMA XYP MAN E:1;
Invalid;
none;
submit data
n/a n/a
NAG NAG D:1;
Invalid;
none;
submit data
408.404 n/a O=C(N...
NAG A:301;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
GOL A:302;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NGA GAL C:1;
Valid;
none;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZGR 1.97 Å EC: 3.2.2.22 STRUCTURAL STUDIES ON A NON-TOXIC HOMOLOGUE OF TYPE II RIPS MOMORDICA CHARANTIA (BITTER GOURD) IN COMPLEX WITH T-ANTIGE MOMORDICA CHARANTIA BETA-TREFOIL TYPE II RIPS GALACTOSE BINDING LECTIN HYDROL
Ref.: STRUCTURAL STUDIES ON A NON-TOXIC HOMOLOGUE OF TYPE FROM BITTER GOURD: MOLECULAR BASIS OF NON-TOXICITY, CONFORMATIONAL SELECTION AND GLYCAN STRUCTURE. J.BIOSCI. V. 40 929 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 4ZFY - AMG C7 H14 O6 CO[C@@H]1[....
2 4ZBV - GAL A2G MBN n/a n/a
3 4ZGR - NGA GAL n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 4ZFY - AMG C7 H14 O6 CO[C@@H]1[....
2 4ZBV - GAL A2G MBN n/a n/a
3 4ZGR - NGA GAL n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4ZFY - AMG C7 H14 O6 CO[C@@H]1[....
2 4ZBV - GAL A2G MBN n/a n/a
3 4ZGR - NGA GAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NGA GAL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: NGA GAL; Similar ligands found: 33
No: Ligand Similarity coefficient
1 NGA GAL 1.0000
2 A2G GAL 0.9798
3 MGC GAL 0.9539
4 NOK GAL 0.9463
5 GAL NOK 0.9463
6 NAG GAL 0.9460
7 NGA GCD 0.9412
8 LOG GAL 0.9410
9 NAG GAD 0.9259
10 NAG GCD 0.9259
11 NAG GC4 0.9197
12 NDG GAD 0.9187
13 NAG BDP 0.9133
14 BGC GAL 0.8996
15 GAL NGT 0.8989
16 NGT GAL 0.8989
17 MBG GAL 0.8960
18 GLC GAL 0.8910
19 GAL GLA 0.8845
20 GAL GAL 0.8844
21 NDG GAL 0.8805
22 NGA NAG 0.8800
23 FRU GAL 0.8776
24 BGC BGC 0.8747
25 NOY BGC 0.8729
26 BMA GAL 0.8712
27 IFM BMA 0.8660
28 PA1 GCS 0.8651
29 4WS GAL 0.8600
30 BMA BMA 0.8588
31 YIO GAL 0.8576
32 NG6 GCD 0.8531
33 GAL NAG 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZGR; Ligand: NGA GAL; Similar sites found with APoc: 17
This union binding pocket(no: 1) in the query (biounit: 4zgr.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3AJ6 NGA 6.13027
2 3AJ6 NGA 6.13027
3 4OUJ GLC GAL 8.42912
4 4OUJ GLC GAL 8.42912
5 4OWK NGA 16.6667
6 4OWK NGA 16.6667
7 4OWK NGA 16.6667
8 4OWK NGA 16.6667
9 4OWK NGA 16.6667
10 4OWK NGA 16.6667
11 4OWK NGA 16.6667
12 4OWK NGA 16.6667
13 4OWK NGA 16.6667
14 2D24 XYS XYS 18.7739
15 2ZQO NGA 25.3846
16 2ZQO NGA 25.3846
17 2ZQO NGA 25.3846
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