Receptor
PDB id Resolution Class Description Source Keywords
1ZHS 1.8 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MVL BOUND TO MAN3GLCNAC2 MICROCYSTIS VIRIDIS MVL HIV-1 CARBOHYDRATE BINDING SUGAR BINDING PROTEIN
Ref.: CRYSTAL STRUCTURES OF THE HIV-1 INHIBITORY CYANOBAC PROTEIN MVL FREE AND BOUND TO MAN3GLCNAC2: STRUCTUR FOR SPECIFICITY AND HIGH-AFFINITY BINDING TO THE CO PENTASACCHARIDE FROM N-LINKED OLIGOMANNOSIDE. J.BIOL.CHEM. V. 280 29269 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:801;
A:805;
A:806;
A:817;
B:810;
B:818;
B:824;
C:814;
C:819;
D:815;
D:816;
D:820;
E:802;
E:803;
E:821;
F:804;
F:809;
F:822;
G:807;
G:808;
G:811;
G:812;
G:813;
G:826;
H:823;
H:825;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
NAG NAG BMA MAN MAN N:1;
K:1;
M:1;
L:1;
W:1;
X:1;
P:1;
R:1;
V:1;
Q:1;
S:1;
T:1;
I:1;
U:1;
O:1;
J:1;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 Kd = 2.9 uM
n/a n/a
PO4 E:702;
G:701;
 Invalid;
Invalid;
 none;
none;
 submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ZHS 1.8 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MVL BOUND TO MAN3GLCNAC2 MICROCYSTIS VIRIDIS MVL HIV-1 CARBOHYDRATE BINDING SUGAR BINDING PROTEIN
Ref.: CRYSTAL STRUCTURES OF THE HIV-1 INHIBITORY CYANOBAC PROTEIN MVL FREE AND BOUND TO MAN3GLCNAC2: STRUCTUR FOR SPECIFICITY AND HIGH-AFFINITY BINDING TO THE CO PENTASACCHARIDE FROM N-LINKED OLIGOMANNOSIDE. J.BIOL.CHEM. V. 280 29269 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1ZHS Kd = 2.9 uM NAG NAG BMA 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 426 families.
1 1ZHS Kd = 2.9 uM NAG NAG BMA 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 322 families.
1 1ZHS Kd = 2.9 uM NAG NAG BMA MAN MAN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAG NAG BMA MAN MAN; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG NAG BMA MAN MAN; Similar ligands found: 1
No: Ligand Similarity coefficient
1 NAG NAG BMA MAN MAN 1.0000
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ZHS; Ligand: NAG NAG BMA MAN MAN; 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: 1zhs.bio4) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1ZHS; Ligand: NAG NAG BMA MAN MAN; 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: 1zhs.bio4) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1ZHS; Ligand: NAG NAG BMA MAN MAN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1zhs.bio4) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1ZHS; Ligand: NAG NAG BMA MAN MAN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1zhs.bio4) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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