Structure of PDB 5cjw Chain B Binding Site BS05

Receptor Information
>5cjw Chain B (length=1060) Species: 266264 (Cupriavidus metallidurans CH34) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPANKVRFVTAASLFDGHDASINIMRRILQSQGCEVIHLGHNRSVQEVVT
AALQEDVQGIAISSYQGGHVEYFKYMIDLLREHGGEHIQVFGGGGGVIVP
DEIRELQAYGVARIYSPEDGQRMGLAGMITDMAQRCDIDLTRYAPTTLDT
VVAGDRRALAQLITALENGKADPELVSALHAQAKAAAVPVLGITGTGGAG
KSSLTDELIRRFRLDQDDALSIAVISIDPSRRKSGGALLGDRIRMNAINH
PNIFMRSLATREAGSEISQALPDVIAACKAARFDLVIVETSGIGQGDAAI
VPHVDLSLYVMTPEFGAASQLEKIDMLDFADFVAINKFDRKGAQDAWRDV
AKQVQRNREQWHSRAEDMPVYGTQASRFNDDGVTMLYQGLVGALGARGMS
LKPGTLPNLEGRISTGQNVIVPPARSRYLAELADTVRAYHRRVVAQSKLA
RERQQLRAAHDMLQGAGHESAALETLASERDVSLGAVERKLLAMWPQMQQ
AYSGDEYVVKIRDKEIRTGLISTTLSGTKIRKVVLPRFEDEGEILKWLMR
ENVPGSFPYTAGVFAFKREGPTRMFAGEGDAFRTNRRFKLVSEGMEAKRL
STAFDSVTLYGEDPHERPDIYGKVGNSGVSIATLEDMKVLYDGFDLTNPS
TSVSMTINGPAPTILAMFMNTAIDQQIDRFRADNGRDPTADEEAKIRAWV
LQNVRGTVQADILKEDQGQNTCIFSTEFSLKVMGDIQEYFVHHQVRNFYS
VSISGYHIAEAGANPISQLAFTLANGFTYVEAYLARGMHIDDFAPNLSFF
FSNGMDPEYSVLGRVARRIWAVTMRDKYGANDRSQKLKYHIQTSGRSLHA
QEIDFNDIRTTLQALIAIYDNCNSLHTNAYDITTPTAESVRRALAIQLII
NREWGVAKCENPNQGSFLIEELTDLVEEAVLQEFERIAERGGVLGAMETG
YQRGKIQEESLYYEQLKHDGTLPIIGVNTFRNPNGLARSSEDEKQSQLHR
LTEFHGAHQADAEAMLARLRQAVIDNRNVFAVLMDAVRVCSLGQITHALF
EVGGQYRRNM
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 chain5cjw Chain B Residue 1105 [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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PDB5cjw Structural Basis for Substrate Specificity in Adenosylcobalamin-dependent Isobutyryl-CoA Mutase and Related Acyl-CoA Mutases.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		I248 D249 D262 E310 T311
Binding residue
(residue number reindexed from 1)		I227 D228 D241 E289 T290
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K26 F598 Y779 H780
Catalytic site (residue number reindexed from 1) K5 F575 Y756 H757
Enzyme Commision number 3.6.5.-
5.4.99.13: isobutyryl-CoA mutase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0003924 GTPase activity
GO:0004494 methylmalonyl-CoA mutase activity
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0016853 isomerase activity
GO:0016866 intramolecular transferase activity
GO:0031419 cobalamin binding
GO:0034784 pivalyl-CoA mutase activity
GO:0046872 metal ion binding
GO:0047727 isobutyryl-CoA mutase activity
Biological Process
GO:0006637 acyl-CoA metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5cjw, PDBe:5cjw, PDBj:5cjw
PDBsum5cjw
PubMed26318610
UniProtQ1LRY0|ICMF_CUPMC Fused isobutyryl-CoA mutase (Gene Name=icmF)

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