Structure of PDB 3m31 Chain A Binding Site BS01

Receptor Information
>3m31 Chain A (length=357) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSFNELNAINENIRDDLSALLKSDFFKYFRLDLYKQCSFWDANDGLCLNR
ACSVDWDTLPEYWQPEILGSFNNDTMKEADDSDDECKFLDQLANYCDVND
FNGKNAVLIDLTANPERFTGYGGKQAGQIWSTIYQDNCFTIGETGESLAK
DAFYRLVSGFHASIGTHLSKEYLNTKTGKWEPNLDLFMARIGNFPDRVTN
MYFNYAVVAKALWKIQPYLPEFSFADLVNKEIKNKMDNVISQLDTKIFNE
DLVFANDLSLTLKDEFRSRFKNVTKIMDCVQCDRCRLWGKIQTTGYATAL
KILFEINDADEFTKQHIVGKLTKYELIALLQTFGRLSESIESVNMFEKMY
GKRLLER
Ligand information
Ligand IDNEN
InChIInChI=1S/C6H9NO2/c1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3
InChIKeyGHAZCVNUKKZTLG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCN1C(=O)CCC1=O
ACDLabs 10.04O=C1N(C(=O)CC1)CC
FormulaC6 H9 N O2
Name1-ETHYL-PYRROLIDINE-2,5-DIONE
ChEMBL
DrugBankDB01902
ZINCZINC000001670837
PDB chain3m31 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3m31 Steps in reductive activation of the disulfide-generating enzyme Ero1p
Resolution1.85 Å
Binding residue
(original residue number in PDB)		N207 C208
Binding residue
(residue number reindexed from 1)		N137 C138
Annotation score1
Enzymatic activity
Enzyme Commision number 1.8.4.-
Gene Ontology
Molecular Function
GO:0015035 protein-disulfide reductase activity
GO:0016972 thiol oxidase activity
GO:0071949 FAD binding
Biological Process
GO:0034975 protein folding in endoplasmic reticulum
Cellular Component
GO:0005783 endoplasmic reticulum

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3m31, PDBe:3m31, PDBj:3m31
PDBsum3m31
PubMed20669236
UniProtQ03103|ERO1_YEAST Endoplasmic oxidoreductin-1 (Gene Name=ERO1)

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