Structure of PDB 3i6e Chain G Binding Site BS01

Receptor Information
>3i6e Chain G (length=356) Species: 89184 (Ruegeria pomeroyi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LEQKIIAMDLWHLALPVCEIVVLRLVAEGGAEGFGEASPWAVFTGTPEAS
YAALDRYLRPLVIGRRVGDRVAIMDEAARAVAHCTEAKAALDSALLDLAG
RISNLPVWALLGGKCRDTIPLSCSIANPDFDADIALMERLRADGVGLIKL
KTGFRDHAFDIMRLELIARDFPEFRVRVDYNQGLEIDEAVPRVLDVAQFQ
PDFIEQPVRAHHFELMARLRGLTDVPLLADESVYGPEDMVRAAHEGICDG
VSIKIMKSGGLTRAQTVARIAAAHGLMAYGGDMFEAGLAHLAGTHMIAAT
PEITLGCEFYQASYFLNEDILETPFRVEAGQVIVPDGPGLGARADPEKLE
HYAVRR
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 chain3i6e Chain G Residue 386 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3i6e Crystal structure of muconate lactonizing enzyme from Ruegeria pomeroyi.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D198 E224 D249
Binding residue
(residue number reindexed from 1)		D179 E205 D230
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S143 K168 K170 D198 Y199 N200 Q201 E224 D249 E250 S251 K273 Y298 G300 D301 M302 C326 E327 F328
Catalytic site (residue number reindexed from 1) S124 K149 K151 D179 Y180 N181 Q182 E205 D230 E231 S232 K254 Y279 G281 D282 M283 C307 E308 F309
Enzyme Commision number 5.5.1.1: muconate cycloisomerase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
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

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Molecular Function
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Biological Process
External links
PDB RCSB:3i6e, PDBe:3i6e, PDBj:3i6e
PDBsum3i6e
PubMed
UniProtQ5LM96

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