Structure of PDB 3vcn Chain C Binding Site BS01

Receptor Information
>3vcn Chain C (length=403) Species: 155892 (Caulobacter vibrioides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLKIIDAKVIVTCPGRNFVTLKITTEDGITGVGDATLNGRELSVVSFLQD
HMVPSLIGRDAHQIEDIWQFFYRGSYWRGGPVAMTALAAVDMALWDIKGK
VAGLPVYQLLGGACRTGVTVYGHANGETIEDTIAEAVKYKAMGYKAIRLQ
TGVPGLASTYGVSKDKMFYEPADNDLPTENIWSTAKYLNSVPKLFERARE
VLGWDVHLLHDVHHRLTPIEAARLGKDLEPYRLFWLEDSVPAENQAGFRL
IRQHTTTPLAVGEIFAHVWDAKQLIEEQLIDYLRATVLHAGGITNLKKIA
AFADLHHVKTGCHGATDLSPVTMAAALHFDMSITNFGLQEYMRHTPETDA
VFPHAYTFSDGMLHPGDKPGLGVDIDEDLAAKHPYKRAYLPVNRLEDGTM
FNW
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 chain3vcn Chain C Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vcn Crystal structure of mannonate dehydratase from Caulobacter crescentus CB15
Resolution1.45 Å
Binding residue
(original residue number in PDB)		D211 E237 E263
Binding residue
(residue number reindexed from 1)		D211 E237 E263
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) L37 R40 D211 H213 E237 G262 E263 I264 T286 H313 A315 E340
Catalytic site (residue number reindexed from 1) L37 R40 D211 H213 E237 G262 E263 I264 T286 H313 A315 E340
Enzyme Commision number 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

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Molecular Function
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Biological Process
External links
PDB RCSB:3vcn, PDBe:3vcn, PDBj:3vcn
PDBsum3vcn
PubMed
UniProtQ9AAR4|MAND2_CAUVC D-mannonate dehydratase CC0532 (Gene Name=CC_0532)

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