Receptor
PDB id Resolution Class Description Source Keywords
1HQL 2.2 Å NON-ENZYME: BINDING THE XENOGRAFT ANTIGEN IN COMPLEX WITH THE B4 ISOLECTIN OF GR SIMPLICIFOLIA LECTIN-1 GRIFFONIA SIMPLICIFOLIA GRIFFONIA SIMPLICIFOLIA LECTIN XENOGRAFT ANTIGEN SUGAR BIPROTEIN
Ref.: THE XENOGRAFT ANTIGEN BOUND TO GRIFFONIA SIMPLICIFO LECTIN 1-B(4). X-RAY CRYSTAL STRUCTURE OF THE COMPL MOLECULAR DYNAMICS CHARACTERIZATION OF THE BINDING J.BIOL.CHEM. V. 277 6615 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:302;
B:302;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MN A:301;
B:301;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
NAG NAG F:1;
D:1;
Part of Protein;
Part of Protein;
none;
none;
submit data
408.404 n/a O=C(N...
MBG GLA C:1;
E:1;
Valid;
Valid;
none;
none;
submit data
356.324 n/a O(C)C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1HQL 2.2 Å NON-ENZYME: BINDING THE XENOGRAFT ANTIGEN IN COMPLEX WITH THE B4 ISOLECTIN OF GR SIMPLICIFOLIA LECTIN-1 GRIFFONIA SIMPLICIFOLIA GRIFFONIA SIMPLICIFOLIA LECTIN XENOGRAFT ANTIGEN SUGAR BIPROTEIN
Ref.: THE XENOGRAFT ANTIGEN BOUND TO GRIFFONIA SIMPLICIFO LECTIN 1-B(4). X-RAY CRYSTAL STRUCTURE OF THE COMPL MOLECULAR DYNAMICS CHARACTERIZATION OF THE BINDING J.BIOL.CHEM. V. 277 6615 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1HQL - MBG GLA n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 1HQL - MBG GLA n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 1HQL - MBG GLA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MBG GLA; Similar ligands found: 131
No: Ligand ECFP6 Tc MDL keys Tc
1 MBG GLA 1 1
2 MGL GAL 0.653061 1
3 BQZ 0.622222 0.857143
4 MBG GAL 0.62 1
5 MBG 0.581395 0.914286
6 AMG 0.581395 0.914286
7 MMA 0.581395 0.914286
8 GYP 0.581395 0.914286
9 BGC GLA GAL 0.56 0.942857
10 FUC GAL 0.537037 0.942857
11 MGC GAL 0.534483 0.744681
12 MAN MAN MAN GLC 0.52459 0.942857
13 GAL GLA 0.519231 0.942857
14 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.509091 0.942857
15 GLC GLC GLC GLC BGC GLC GLC 0.509091 0.942857
16 MAN BMA BMA BMA BMA BMA BMA 0.509091 0.942857
17 MMA MAN MAN 0.508197 1
18 MMA GLA ABE 0.507692 0.921053
19 NAG BMA MAN MAN MAN MAN MAN 0.507042 0.921053
20 FRU BMA 0.5 0.8
21 RZM 0.5 0.659574
22 MAN IPD MAN 0.5 0.75
23 OPM MAN MAN 0.492537 0.809524
24 IPD MAN 0.491228 0.704545
25 GLC EDO GLC 0.491228 0.891892
26 IFM BGC 0.491228 0.680851
27 RR7 GLC 0.490909 0.891892
28 GTM BGC BGC 0.484848 0.921053
29 BGC 5VQ GAL GLA 0.483333 0.894737
30 MAN MNM 0.482759 0.673469
31 GLC DMJ 0.482759 0.666667
32 NOY BGC 0.482759 0.673469
33 MAN MAN 0.481481 0.888889
34 BGC XGP 0.474576 0.75
35 CJX 0.474576 0.6875
36 BGC BGC BGC 0.473684 0.942857
37 GLC BGC BGC BGC 0.473684 0.942857
38 MAN BMA MAN MAN MAN MAN MAN 0.473684 1
39 DGO MAN 0.473684 0.864865
40 BGC BGC BGC BGC BGC BGC 0.473684 0.942857
41 BGC BGC BGC BGC BGC BGC BGC 0.473684 0.942857
42 5QP 0.473684 0.837838
43 BGC BGC BGC BGC BGC 0.473684 0.942857
44 AHR FUB 0.469388 0.810811
45 GLC GAL BGC FUC 0.46875 0.971429
46 BGC GAL FUC 0.46875 0.971429
47 GDQ GLC 0.466667 0.64
48 GPM GLC 0.466667 0.733333
49 BGC GAL GLA 0.466667 0.942857
50 9MR 0.465517 0.711111
51 BGC OXZ 0.465517 0.64
52 H1M MAN MAN 0.462687 0.921053
53 GLC NBU GAL GLA 0.460317 0.85
54 MAN BMA BMA 0.459016 0.891892
55 G2F SHG BGC BGC 0.459016 0.846154
56 A2G GAL 0.459016 0.73913
57 NAG GAL 0.459016 0.73913
58 TVD GAL 0.459016 0.68
59 NOJ GLC 0.457627 0.666667
60 MGL SGC BGC BGC 0.457143 0.921053
61 FRU BGC BGC BGC 0.453125 0.825
62 ABL 0.45 0.673469
63 GCU BGC 0.45 0.864865
64 GLC U8V 0.448276 0.918919
65 MMA MAN 0.446429 1
66 UMQ 0.446154 0.790698
67 LMU 0.446154 0.790698
68 LMT 0.446154 0.790698
69 DMU 0.446154 0.790698
70 MAN MAN MAN MAN MAN MAN MAN 0.445946 0.942857
71 GAL FUC GAL 0.444444 0.971429
72 MAG GAL FUC FUC 0.444444 0.729167
73 MAG FUC GAL FUC 0.444444 0.729167
74 BGC BGC XYS GAL 0.442857 0.891892
75 MAN G63 0.442623 0.627451
76 7D1 MAN 0.438596 0.842105
77 GLC G6P 0.438596 0.75
78 NAG BMA 0.4375 0.66
79 BGC BGC BGC BGC BGC BGC BGC BGC 0.4375 0.942857
80 G2F BGC BGC BGC BGC BGC 0.4375 0.825
81 BGC FUC GAL 0.4375 0.971429
82 GLC BGC FUC GAL 0.4375 0.971429
83 NPJ 0.434783 0.6
84 4YA 0.432836 0.772727
85 MAN NAG GAL 0.428571 0.73913
86 BMA MAN MAN 0.428571 0.942857
87 LSE 0.426471 0.729167
88 G3I 0.424242 0.733333
89 G2I 0.424242 0.733333
90 NGT GAL 0.424242 0.666667
91 BGC OXZ BGC 0.424242 0.66
92 FRU GLC 0.423729 0.8
93 RCB 0.422535 0.6
94 BHE 0.42029 0.772727
95 10M 0.42029 0.73913
96 XYS GAL FUC 0.42029 0.944444
97 SOR GLC GLC 0.41791 0.916667
98 CK0 0.41791 0.6875
99 NAG GAL FUC 0.416667 0.723404
100 MGL SGC 0.416667 0.921053
101 ISX 0.416667 0.727273
102 MAN MAN BMA 0.415385 0.891892
103 BGC GLC GLC 0.415385 0.942857
104 GAL SO4 GAL 0.415385 0.634615
105 MAN AML MAN MAN MAN MAN MAN MAN MAN 0.414634 0.829268
106 AXR BXY BXY BXX 0.413333 0.8
107 G1P 0.411765 0.666667
108 XYS GLC GLC 0.411765 0.916667
109 M1P 0.411765 0.666667
110 XGP 0.411765 0.666667
111 GL1 0.411765 0.666667
112 56N 0.410714 0.789474
113 MAG 0.410714 0.680851
114 2F8 0.410714 0.680851
115 GLC IFM 0.409836 0.695652
116 MBG A2G 0.409091 0.744681
117 BMA MAN MAN MAN 0.408451 0.972222
118 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.405797 0.942857
119 6UZ 0.405797 0.804878
120 BMA BMA BMA BMA GLA 0.405797 0.942857
121 GLC BGC BGC 0.405797 0.891892
122 NAG GAL BGC GAL 0.405405 0.73913
123 AXR BXY BXY BXY BXX BXX 0.405063 0.8
124 GAT 0.403509 0.666667
125 GLC 7LQ 0.403226 0.837838
126 NAG GAL FUC A2G 0.402778 0.723404
127 MMA MAN NAG 0.402778 0.744681
128 DEG 0.4 0.775
129 GLC GLC G6D ADH GLC GLC 0.4 0.6875
130 MAN GLA ABE 0.4 0.918919
131 NAG GAL GAL 0.4 0.73913
Similar Ligands (3D)
Ligand no: 1; Ligand: MBG GLA; Similar ligands found: 24
No: Ligand Similarity coefficient
1 GAL GAL 0.9392
2 GLA GLA 0.9340
3 GLC GLC 0.9090
4 F9W 0.9086
5 BGC BGC 0.9023
6 BV3 0.8982
7 BV4 0.8982
8 BGC GLC 0.8977
9 7D0 0.8927
10 GLA BEZ 0.8885
11 GAA 0.8873
12 MYG 0.8844
13 FEQ 0.8844
14 ZEL MAN 0.8818
15 DS8 0.8717
16 47N 0.8702
17 MHD GAL 0.8678
18 DGO Z61 0.8675
19 MA1 GLC 0.8671
20 LGU MAW 0.8616
21 145 0.8596
22 6EN 0.8588
23 XYP GCU 0.8581
24 XMM 0.8555
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1HQL; Ligand: MBG GLA; 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: 1hql.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1HQL; Ligand: MBG GLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1hql.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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