Structure of PDB 3fcp Chain D Binding Site BS01

Receptor Information
>3fcp Chain D (length=354) Species: 272620 (Klebsiella pneumoniae subsp. pneumoniae MGH 78578) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATVEQIESWIVDVPTICQSLVIVRLTRSDGICGIGEATTIGGLSYGVESP
EAISSAITHYLTPLLKGQPADNLNALTARMNGAIKGNTFAKSAIETALLD
AQGKALGLPVSALLGGALQTALPVLWTLASGDTAKDIAEGEKLLARAFKL
KIGARELATDLRHTRAIVEALGDRASIRVDVNQAWDAATGAKGCRELAAM
GVDLIEQPVSAHDNAALVRLSQQIETAILADEAVATAYDGYQLAQQGFTG
AYALKIAKAGGPNSVLALARVAQAAGIGLYGGTMLEGTVGTVASLHAWST
LPLQWGTEMFGPLLLKDDIVSVPLTFADGQVALPQTPGLGVELDEDKLHF
YTRQ
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 chain3fcp Chain D Residue 382 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fcp Crystal structure of Muconate lactonizing enzyme from Klebsiella pneumoniae
Resolution1.8 Å
Binding residue
(original residue number in PDB)		N201 D250 E251
Binding residue
(residue number reindexed from 1)		N182 D231 E232
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T54 G57 T142 K168 K170 D199 N201 E225 D250 E251 A252 K274 G301 T302 M303 T326 E327 M328
Catalytic site (residue number reindexed from 1) T39 G42 T127 K149 K151 D180 N182 E206 D231 E232 A233 K255 G282 T283 M284 T307 E308 M309
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016853 isomerase activity
GO:0018849 muconate cycloisomerase activity
GO:0018850 chloromuconate cycloisomerase activity
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
Biological Process
GO:0009056 catabolic process
GO:0009063 amino acid catabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:3fcp, PDBe:3fcp, PDBj:3fcp
PDBsum3fcp
PubMed
UniProtA6T9N5

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