Structure of PDB 3oaz Chain L Binding Site BS01

Receptor Information
>3oaz Chain L (length=213) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVVMTQSPSTLSASVGDTITITCRASQSIETWLAWYQQKPGKAPKLLIYK
ASTLKTGVPSRFSGSGSGTEFTLTISGLQFDDFATYHCQHYAGYSATFGQ
GTRVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKV
DNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQG
LSSPVTKSFNRGE
Ligand information
Ligand ID2M5
InChIInChI=1S/C8H16O6/c1-3(9)7-5(11)4(10)6(12)8(13-2)14-7/h3-12H,1-2H3/t3-,4-,5-,6-,7+,8-/m0/s1
InChIKeyPNWOVLBMFHSUMR-IHKZFYOVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)O)O
CACTVS 3.370CO[C@H]1O[C@H]([C@H](C)O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 12.01OC1C(O)C(O)C(OC1OC)C(O)C
CACTVS 3.370CO[CH]1O[CH]([CH](C)O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.0CC(C1C(C(C(C(O1)OC)O)O)O)O
FormulaC8 H16 O6
Namemethyl 7-deoxy-L-glycero-alpha-D-manno-heptopyranoside;
methyl 7-deoxy-L-glycero-alpha-D-manno-heptoside;
methyl 7-deoxy-L-glycero-D-manno-heptoside;
methyl 7-deoxy-L-glycero-manno-heptoside
ChEMBL
DrugBank
ZINCZINC000058633204
PDB chain3oaz Chain H Residue 237 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3oaz A nonself sugar mimic of the HIV glycan shield shows enhanced antigenicity.
Resolution1.75 Å
Binding residue
(original residue number in PDB)
G93 Y94
Binding residue
(residue number reindexed from 1)
G93 Y94
Annotation score1
External links