Structure of PDB 2ny1 Chain C Binding Site BS01
Receptor Information
>2ny1 Chain C (length=214) Species:
9606
(Homo sapiens) [
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DIVMTQSPATLSVSPGERATLSCRASESVSSDLAWYQQKPGQAPRLLIYG
ASTRATGVPARFSGSGSGAEFTLTISSLQSEDFAVYYCQQYNNWPPRYTF
GQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQW
KVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTH
QGLSSPVTKSFNRG
Ligand information
Ligand ID
FRU
InChI
InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKey
RFSUNEUAIZKAJO-ARQDHWQXSA-N
SMILES
Software
SMILES
ACDLabs 10.04
OC1C(O)C(OC1(O)CO)CO
OpenEye OEToolkits 1.5.0
C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
CACTVS 3.341
OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0
C(C1C(C(C(O1)(CO)O)O)O)O
CACTVS 3.341
OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
Formula
C6 H12 O6
Name
beta-D-fructofuranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBL
CHEMBL604608
DrugBank
ZINC
ZINC000001529270
PDB chain
2ny1 Chain E Residue 2 [
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Receptor-Ligand Complex Structure
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PDB
2ny1
Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Resolution
1.99 Å
Binding residue
(original residue number in PDB)
T2099 F2100
Binding residue
(residue number reindexed from 1)
T99 F100
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:2ny1
,
PDBe:2ny1
,
PDBj:2ny1
PDBsum
2ny1
PubMed
17301785
UniProt
Q6P5S8
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