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 B:305;
Invalid;
none;
submit data n/a n/a n/a n/a
NAG NAG B:303;
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 B:301;
Valid;
none;
submit data
367.351 n/a O=C(N...
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 13 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 9 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 5 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
Ligand no: 1; Ligand: NGA GAL; Similar ligands found: 133
No: Ligand ECFP6 Tc MDL keys Tc
1 NGA GAL 1 1
2 MAN MAN NAG 0.830769 0.978723
3 GAL NAG GAL 0.714286 0.978723
4 NAG GAL 0.646154 0.93617
5 GAL NAG 0.646154 0.93617
6 NAG NDG 0.623188 0.901961
7 NAG NAG 0.623188 0.901961
8 NAG A2G 0.61194 0.88
9 NAG NGA 0.61194 0.88
10 NAG GDL 0.588235 0.88
11 NDG NAG 0.588235 0.88
12 CBS 0.588235 0.88
13 NAG MBG 0.588235 0.897959
14 CBS CBS 0.588235 0.88
15 GAL NGA A2G 0.583333 0.88
16 3QL 0.575342 0.814815
17 NAG MAN BMA 0.567568 0.93617
18 NAG NAG NAG 0.565789 0.867925
19 NAG NAG NAG NAG 0.565789 0.867925
20 MBG A2G 0.557143 0.897959
21 A2G MBG 0.557143 0.897959
22 NDG NAG NAG NAG 0.555556 0.862745
23 NDG NAG NAG 0.555556 0.862745
24 NAG NAG NAG NAG NAG NAG NAG NAG 0.555556 0.862745
25 NAG NAG NAG NAG NDG 0.555556 0.862745
26 NAG NAG NDG 0.555556 0.862745
27 NAG NAG NAG NAG NAG 0.555556 0.862745
28 NAG NAG NAG NAG NAG NAG 0.555556 0.862745
29 NDG NAG NAG NDG 0.555556 0.862745
30 NAG NAG NAG NDG 0.555556 0.862745
31 NAG NAG NDG NAG 0.555556 0.862745
32 CTO 0.555556 0.862745
33 NGA GAL BGC 0.533333 0.93617
34 FUC GAL A2G 0.532468 0.916667
35 FUC GLA A2G 0.532468 0.916667
36 A2G GLA FUC 0.532468 0.916667
37 NGA GAL FUC 0.532468 0.916667
38 A2G GAL FUC 0.532468 0.916667
39 2F8 0.532258 0.875
40 MAG 0.532258 0.875
41 AH0 NAG 0.531646 0.785714
42 NAG MAN 0.527778 0.897959
43 NAG GAL NAG 0.525641 0.88
44 NAG GAL BGC 0.525641 0.93617
45 NAG MAN MMA 0.519481 0.897959
46 Z4S NAG NAG 0.518519 0.8
47 NOJ NAG NAG 0.518519 0.836364
48 NOJ NAG NAG NAG 0.518519 0.821429
49 NG1 0.5 0.706897
50 LEC NGA 0.5 0.666667
51 GN1 0.5 0.706897
52 NAG AH0 0.5 0.785714
53 NAG MAN MAN 0.5 0.93617
54 NAG MAN MAN MAN NAG 0.494118 0.88
55 NGA GLA GAL BGC 0.493976 0.93617
56 NAG MUB 0.493827 0.846154
57 NAG AMU 0.493827 0.846154
58 DLD 0.487805 0.733333
59 NAG NM9 0.4875 0.830189
60 3YW 0.485714 0.934783
61 FUC BGC GAL NAG 0.482759 0.916667
62 GAL NAG GAL BGC 0.482353 0.978723
63 6Y2 0.482353 0.666667
64 NGT NAG 0.481481 0.733333
65 GLC FUC GAL FUC A2G 0.477273 0.897959
66 BGC FUC GAL FUC A2G 0.477273 0.897959
67 FHY 0.465909 0.8
68 GYU 0.465753 0.754386
69 BMA Z4Y NAG 0.465116 0.916667
70 NAG BDP NAG BDP NAG BDP NAG 0.460674 0.846154
71 NAG NAG BMA 0.457831 0.884615
72 NAG NDG BMA 0.457831 0.884615
73 FUC GAL NAG A2G 0.455556 0.862745
74 A2G GAL BGC FUC 0.455556 0.916667
75 A2G GAL NAG FUC 0.455556 0.862745
76 SN5 SN5 0.453333 0.754717
77 SIA GAL NAG GAL 0.45098 0.867925
78 FUC NAG GLA GAL 0.449438 0.9375
79 6ZC 0.448718 0.646154
80 LEC 0.448718 0.646154
81 NAG NAG NGT 0.448276 0.721311
82 MA8 0.447368 0.826923
83 TNR 0.445946 0.843137
84 FUC GAL NAG A2G FUC 0.445652 0.862745
85 NAG GAL FUC FUC A2G 0.445652 0.862745
86 3PV 0.444444 0.882353
87 FUC NAG 0.441558 0.938776
88 NAG A2G GAL 0.440476 0.88
89 NAG BMA 0.44 0.958333
90 GAL A2G 0.438356 0.93617
91 A2G GAL 0.438356 0.93617
92 GAL NGA 0.438356 0.93617
93 ALA NAG AH0 DAL 0.4375 0.77193
94 NAG GAL GAL NAG GAL 0.435294 0.88
95 BGA 0.434783 0.803571
96 NAG NAG BMA MAN NAG 0.434343 0.867925
97 MMA MAN NAG MAN NAG NAG 0.433333 0.846154
98 NAG AMU NAG AMV 0.433333 0.830189
99 HD4 0.432099 0.728814
100 GAL NAG MAN 0.432099 0.93617
101 SIA GAL NGA 0.43 0.849057
102 NAG GAL 2NA 0.428571 0.830189
103 HSQ 0.428571 0.869565
104 NDG 0.428571 0.869565
105 NAG MAN BMA MAN NAG GAL 0.428571 0.88
106 NGA 0.428571 0.869565
107 A2G 0.428571 0.869565
108 NAG NAG BMA MAN 0.428571 0.884615
109 NAG 0.428571 0.869565
110 BM3 0.428571 0.869565
111 57S 0.426829 0.728814
112 WZ5 0.425532 0.897959
113 GUM 0.425532 0.758621
114 GYT 0.419753 0.779661
115 AO3 0.419355 0.656716
116 NAA NAA AMI 0.419355 0.656716
117 NAG NAG BMA MAN MAN NAG NAG 0.419048 0.867925
118 NLC 0.418919 0.93617
119 GAL NDG 0.418919 0.93617
120 GAL MGC 0.418919 0.897959
121 NDG GAL 0.418919 0.93617
122 GAL NAG GAL NAG GAL NAG 0.418605 0.862745
123 NAG GAL GAL NAG 0.418605 0.88
124 UMG 0.416667 0.758621
125 NAG NAG BMA BMA 0.41573 0.851852
126 GLC GAL NAG GAL 0.413793 0.93617
127 LAT NAG GAL 0.413793 0.93617
128 TCG 0.411765 0.733333
129 NAG GDL PHJ 0.408163 0.698413
130 NAG BMA NAG MAN MAN NAG NAG 0.405941 0.862745
131 NAG AMU ALA DGL 0.401961 0.818182
132 ACA SER SER VAL GLY A2G 0.4 0.767857
133 8VZ 0.4 0.862745
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: 5
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 4OUJ LBT 8.42912
3 3NBC LAT 8.78378
4 2D24 XYS XYS 18.7739
5 2ZQO NGA 25.3846
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