Structure of PDB 4e4f Chain A Binding Site BS01

Receptor Information
>4e4f Chain A (length=386) Species: 561230 (Pectobacterium carotovorum subsp. carotovorum PC1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMKIVSAEVFVTCPGRNFVTLKITTDSGLTGLGDATLNGRELPVASYLND
HVCPQLIGRDAHQIEDIWQYFYKGAYWRRGPVTMSAISAVDMALWDIKAK
AANMPLYQLLGGASRTGVMVYCHTTGHSIDEVLDDYAKHRDQGFKAIRVQ
CEPATKGSLPEEQLWSTEKYLDFTPKLFEAVRDKFGFNEHLLHDMHHRLT
PIEAARFGKSVEDYRLFWMEDPTPAENQACFRLIRQHTVTPIAVGEVFNS
IWDCKQLIEEQLIDYIRTTITHAGGITGMRRIADFASLYQVRTGSHGPSD
LSPICMAAALHFDLWVPNFGVQEYMGYSEQMLEVFPHSWTFDNGYMHPGE
KPGLGIEFDEKLAAKYPYDPAYLPVARLEDGTLWNW
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4e4f Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4e4f Crystal structure of ENOLASE PC1_0802 from Pectobacterium carotovorum
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D212 E238 E264
Binding residue
(residue number reindexed from 1)		D194 E220 E246
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) L36 R39 R147 Q149 D212 H214 E238 G263 E264 V265 R285 T287 H314 P316 E341 W404
Catalytic site (residue number reindexed from 1) L37 R40 R148 Q150 D194 H196 E220 G245 E246 V247 R267 T269 H296 P298 E323 W386
Enzyme Commision number 4.2.1.-
4.2.1.8: mannonate dehydratase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008927 mannonate dehydratase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0009063 amino acid catabolic process
GO:0016052 carbohydrate catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4e4f, PDBe:4e4f, PDBj:4e4f
PDBsum4e4f
PubMed
UniProtC6D9S0|MAND_PECCP D-galactonate dehydratase family member PC1_0802 (Gene Name=PC1_0802)

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