Receptor
PDB id Resolution Class Description Source Keywords
3LL2 0.97 Å NON-ENZYME: OTHER MONOMERIC GRIFFITHSIN IN COMPLEX WITH A HIGH-MANNOSE BRANCHE CARBOHYDRATE GRIFFITHSIA LECTIN SUGAR-BINDING ANTI-HIV HIGH MANNOSE MAN9 GP120 JACALIN-RELATED MANNOSE-BINDING SUGAR BINDING PROTEIN
Ref.: MONOMERIZATION OF VIRAL ENTRY INHIBITOR GRIFFITHSIN ELUCIDATES THE RELATIONSHIP BETWEEN MULTIVALENT BIN CARBOHYDRATES AND ANTI-HIV ACTIVITY. STRUCTURE V. 18 1104 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:130;
A:131;
A:132;
A:133;
A:134;
A:135;
A:137;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
MAN MAN MAN MAN MAN MAN MAN MAN B:1;
 Valid;
 none;
 Kd = 0.51 uM
1314.14 n/a O(CC1...
PEG A:136;
 Invalid;
 none;
 submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LL2 0.97 Å NON-ENZYME: OTHER MONOMERIC GRIFFITHSIN IN COMPLEX WITH A HIGH-MANNOSE BRANCHE CARBOHYDRATE GRIFFITHSIA LECTIN SUGAR-BINDING ANTI-HIV HIGH MANNOSE MAN9 GP120 JACALIN-RELATED MANNOSE-BINDING SUGAR BINDING PROTEIN
Ref.: MONOMERIZATION OF VIRAL ENTRY INHIBITOR GRIFFITHSIN ELUCIDATES THE RELATIONSHIP BETWEEN MULTIVALENT BIN CARBOHYDRATES AND ANTI-HIV ACTIVITY. STRUCTURE V. 18 1104 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3LL2 Kd = 0.51 uM MAN MAN MAN MAN MAN MAN MAN MAN 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 1331 families.
1 3LL2 Kd = 0.51 uM MAN MAN MAN MAN MAN MAN MAN MAN 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 1144 families.
1 3LL2 Kd = 0.51 uM MAN MAN MAN MAN MAN MAN MAN MAN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MAN MAN MAN MAN MAN MAN MAN MAN; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MAN MAN MAN MAN MAN MAN MAN 1 1
2 MAN MAN MAN MAN MAN MAN MAN 0.593407 0.846154
3 BMA MAN MAN 0.52381 0.846154
4 BMA MAN MAN NAG GAL NAG 0.486239 0.611111
5 MAN MAN MAN 0.483871 0.871795
6 MAN MAN MAN GLC 0.47191 0.846154
7 NAG BMA MAN MAN MAN MAN MAN 0.464646 0.75
8 GAL GLA 0.4625 0.846154
9 MAN MAN MAN NAG NAG 0.460784 0.611111
10 GAL SO4 GAL 0.460674 0.648148
11 MAN BMA MAN MAN MAN MAN MAN 0.456311 0.804878
12 GLC BGC BGC BGC 0.452381 0.846154
13 BGC BGC BGC BGC BGC BGC 0.452381 0.846154
14 BGC BGC BGC BGC BGC 0.452381 0.846154
15 BGC BGC BGC 0.452381 0.846154
16 BGC BGC BGC BGC BGC BGC BGC 0.452381 0.846154
17 BGC BGC BGC BGC 0.446809 0.846154
18 MAN AML MAN MAN MAN MAN MAN MAN MAN 0.425926 0.717391
19 OPM MAN MAN 0.42268 0.702128
20 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.415929 0.647059
21 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.412281 0.647059
22 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.401639 0.611111
23 GLA NAG GAL FUC 0.4 0.634615
Similar Ligands (3D)
Ligand no: 1; Ligand: MAN MAN MAN MAN MAN MAN MAN MAN; 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 : 3LL2; Ligand: MAN MAN MAN MAN MAN MAN MAN MAN; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 3ll2.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 6FLZ MMA 44.7154
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