Structure of PDB 3odm Chain H Binding Site BS01

Receptor Information
>3odm Chain H (length=527) Species: 1502 (Clostridium perfringens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIPCSMMTQHPDNVETYISIQQEPAEAIKGLTPQDKGGLGIEEVMIDFE
GKLTPYHQTSQIALGLISNGIIPGKDVRVTPRIPNANKESVFRQLMSIMS
IIETNVQSKELTGTPAISEVVVPMIETGKEISEFQDRVNSVVDMGNKNYK
TKLDLNSVRIIPLVEDVPALANIDRILDEHYEIEKSKGHILKDLRIMIAR
SDTAMSYGLISGVLSVLMAVDGAYKWGEKHGVTISPILGCGSLPFRGHFS
EENIDEILATYSGIKTFTFQSALRYDHGEEATKHAVRELKEKIAQSKPRN
FSEEDKDLMKEFIGICSKHYLQTFLKVIDTVSFVSDFIPKNRDRLTYNRE
VANLDNVADLVKDEVLKQEILSIKEYAVPRAISFTGAMYTLGMPPELMGM
GRALNEIKTKYGQEGIDKLLEIYPILRKDLAFAARFANGGVSKKIIDEEA
RQEYKEDMKYVNEILNLGLDYDFLNENEFYHTLLKTTKPIIMHLMGLEEN
VMRNSTEELKILNEWIVRMGKVRGSIG
Ligand information
Ligand IDMLI
InChIInChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
InChIKeyOFOBLEOULBTSOW-UHFFFAOYSA-L
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-]C(=O)CC([O-])=O
OpenEye OEToolkits 1.5.0C(C(=O)[O-])C(=O)[O-]
FormulaC3 H2 O4
NameMALONATE ION
ChEMBL
DrugBankDB02201
ZINC
PDB chain3odm Chain H Residue 901 [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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PDB3odm Structure of an archaeal-type phosphoenolpyruvate carboxylase sensitive to inhibition by aspartate.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		H11 R82 A199 S201 D202
Binding residue
(residue number reindexed from 1)		H11 R82 A199 S201 D202
Annotation score2
Enzymatic activity
Enzyme Commision number 4.1.1.31: phosphoenolpyruvate carboxylase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0008964 phosphoenolpyruvate carboxylase activity
GO:0016829 lyase activity
Biological Process
GO:0006099 tricarboxylic acid cycle
GO:0006107 oxaloacetate metabolic process
GO:0015977 carbon fixation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3odm, PDBe:3odm, PDBj:3odm
PDBsum3odm
PubMed21491491
UniProtQ8XLE8|CAPPA_CLOPE Phosphoenolpyruvate carboxylase (Gene Name=ppcA)

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