Structure of PDB 3nfu Chain A Binding Site BS01

Receptor Information
>3nfu Chain A (length=441) Species: 290398 (Chromohalobacter israelensis DSM 3043) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LFPKITKMNVVPVAGEDGFLLNLSGGHEPWFIRCVLVLEDESGNRGVGEI
PSSEGILNGLEKCRSLVEGARVNEVKQVLSRARGLLAQGGPEERGRQTFD
LRVAVHVITAIESALFDLFGQALGMPVADLLGQYGRQRDEVEALGYLFLL
GDPDKTDLPYPRVADPVDAWDEVRYREAMTPEAVANLARAAYDRYGFKDF
KLKGGVLRGEEEADCIRALHEAFPEARLALDPNGAWKLDEAVRVLEPIKH
LLSYAEDPCGQEGGFSGRETMAEFKKRTGLPTATNMIATDYKQLQYAVQL
NSVDIPLADCHFWTMQGAVAVGELCNEWGMTWGSHSNNHFDISLAMMTHV
AAACPGEITAIDTHWIWQDGQRITREPFQIRDGKLTVPKTPGLGIELDDD
KLMEAHETYKRLDVTQRNDAMAMQYLIPGWEFDPKRPALVE
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 chain3nfu Chain A Residue 451 [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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PDB3nfu Crystal Structure of Glucarate Dehydratase from Chromohalobacter Salexigens
Resolution1.94 Å
Binding residue
(original residue number in PDB)		D231 N233 E256 D257 N285
Binding residue
(residue number reindexed from 1)		D231 N233 E256 D257 N285
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K201 K203 D231 N233 E256 N285 D309 H335 N337
Catalytic site (residue number reindexed from 1) K201 K203 D231 N233 E256 N285 D309 H335 N337
Enzyme Commision number 4.2.1.40: glucarate dehydratase.
Gene Ontology
Molecular Function
GO:0008872 glucarate dehydratase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3nfu, PDBe:3nfu, PDBj:3nfu
PDBsum3nfu
PubMed
UniProtQ1QUN0

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