Structure of PDB 1yeg Chain H Binding Site BS01

Receptor Information
>1yeg Chain H (length=222) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EMQLQQSGAELLRPGTSVKLSCKTSGYIFTSYWIHWVKQRSGQGLEWIAR
IYPGTGSTYYNEKFKGKATLTADKSSSTAYMQLSTLKSEDSAVYFCTRWG
FIPVREDYVMDYWGQGTLVTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGC
LVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPS
QSITCNVAHPASSTKVDKKIEP
Ligand information
Ligand IDBPN
InChIInChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2
InChIKeyJKTYGPATCNUWKN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1CO)[N+](=O)[O-]
ACDLabs 10.04[O-][N+](=O)c1ccc(cc1)CO
CACTVS 3.341OCc1ccc(cc1)[N+]([O-])=O
FormulaC7 H7 N O3
NamePARANITROBENZYL ALCOHOL
ChEMBLCHEMBL153580
DrugBank
ZINCZINC000000157462
PDB chain1yeg Chain L Residue 551 [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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PDB1yeg X-ray structures of a hydrolytic antibody and of complexes elucidate catalytic pathway from substrate binding and transition state stabilization through water attack and product release.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H35 W95
Binding residue
(residue number reindexed from 1)		H35 W99
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1yeg, PDBe:1yeg, PDBj:1yeg
PDBsum1yeg
PubMed9223277
UniProtP01863|GCAA_MOUSE Ig gamma-2A chain C region, A allele (Gene Name=Ighg)

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