Structure of PDB 5cjv Chain A Binding Site BS05

Receptor Information
>5cjv Chain A (length=1061) Species: 266264 (Cupriavidus metallidurans CH34) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RGPANKVRFVTAASLFDGHDASINIMRRILQSQGCEVIHLGHNRSVQEVV
TAALQEDVQGIAISSYQGGHVEYFKYMIDLLREHGGEHIQVFGGGGGVIV
PDEIRELQAYGVARIYSPEDGQRMGLAGMITDMAQRCDIDLTRYAPTTLD
TVVAGDRRALAQLITALENGKADPELVSALHAQAKAAAVPVLGITGTGGA
GKSSLTDELIRRFRLDQDDALSIAVISIDPSRRKSGGALLGDRIRMNAIN
HPNIFMRSLATRESEISQALPDVIAACKAARFDLVIVETSGIGQGDAAIV
PHVDLSLYVMTPEFGAASQLEKIDMLDFADFVAINKFDRKGAQDAWRDVA
KQVQRNREQWHSRAEDMPVYGTQASRFNDDGVTMLYQGLVGALGARGMSL
KPGTLPNLEGRISTGQNVIVPPARSRYLAELADTVRAYHRRVVAQSKLAR
ERQQLRAAHDMLQGAGHESAALETLASERDVSLGAVERKLLAMWPQMQQA
YSGDEYVIRTGLISTTLSGTKIRKVVLPRFEDEGEILKWLMRENVPGSFP
YTAGVFAFKREGEDPTRMFAGEGDAFRTNRRFKLVSEGMEAKRLSTAFDS
VTLYGEDPHERPDIYGKVGNSGVSIATLEDMKVLYDGFDLTNPSTSVSMT
INGPAPTILAMFMNTAIDQQIDRFRADNGRDPTADEEAKIRAWVLQNVRG
TVQADILKEDQGQNTCIFSTEFSLKVMGDIQEYFVHHQVRNFYSVSISGY
HIAEAGANPISQLAFTLANGFTYVEAYLARGMHIDDFAPNLSFFFSNGMD
PEYSVLGRVARRIWAVTMRDKYGANDRSQKLKYHIQTSGRSLHAQEIDFN
DIRTTLQALIAIYDNCNSLHTNAYDEAITTPTAESVRRALAIQLIINREW
GVAKCENPNQGSFLIEELTDLVEEAVLQEFERIAERGGVLGAMETGYQRG
KIQEESLYYEQLKHDGTLPIIGVNTFRNPNGDQTLELARSSEDEKQSQLH
RLTEFHGAHQADAEAMLARLRQAVIDNRNVFAVLMDAVRVCSLGQITHAL
FEVGGQYRRNM
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 chain5cjv Chain A Residue 1106 [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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PDB5cjv Structural Basis for Substrate Specificity in Adenosylcobalamin-dependent Isobutyryl-CoA Mutase and Related Acyl-CoA Mutases.
Resolution3.45 Å
Binding residue
(original residue number in PDB)		D249 D262 E310
Binding residue
(residue number reindexed from 1)		D229 D242 E288
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K26 F598 Y779 H780
Catalytic site (residue number reindexed from 1) K6 F569 Y750 H751
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:5cjv, PDBe:5cjv, PDBj:5cjv
PDBsum5cjv
PubMed26318610
UniProtQ1LRY0|ICMF_CUPMC Fused isobutyryl-CoA mutase (Gene Name=icmF)

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