Structure of PDB 6ksa Chain B Binding Site BS04

Receptor Information
>6ksa Chain B (length=611) Species: 1772 (Mycolicibacterium smegmatis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RGSMSHYKSNVRDQVFNLFEVFGVDKVLGADKFSDLDADTAREMLTEIAR
LAEGPIAESFVEGDRNPPVFDPETHTVTLPEGFKKSMRALFDGGWDKVGL
AEHLGGIPMPRALQWALIEHILGANPAAYMYAMGPGMSEIFYNNGTDEQK
KWATIAAERGWGATMVLTEPDAGSDVGAGRTKAVQQPDGTWHIEGVKRFI
TSADSDDLFENIMHLVLARPEGAGPGTKGLSLFFVPKFHFDHETGEIGER
NGVFVTNVEHKMGLKVSATCELSLGQHGIPAVGWLVGEVHNGIAQMFDVI
EQARMMVGTKAIATLSTGYLNALEYAKERVQGADMTQMTDKTAPRVTITH
HPDVRRSLMTQKAYAEGLRAIYLYTATFQDAEVAQAVHGVDGDLAARVND
LLLPIVKGFGSETAYAKLTESLQTLGGSGFLQDYPIEQYIRDSKIDSLYA
GTTAIQAQDFFFRKIIRDKGQALAYVAGEIEQFIKNNGRLKTERELLATA
LADVQGMAASLTGYLMAAQEDAASIYKVGLGSVRFLMAVGDLLSGWLLAR
QAAVAIEKLDAGATGADKSFYEGKIAAASFFAKNMLPLLTSTRQIIENLD
NDVMELDEAAF
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 chain6ksa Chain B Residue 705 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ksa Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Resolution1.768 Å
Binding residue
(original residue number in PDB)		H385 Y472 E476
Binding residue
(residue number reindexed from 1)		H388 Y475 E479
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.8.1: short-chain acyl-CoA dehydrogenase.
1.3.8.7: medium-chain acyl-CoA dehydrogenase.
1.3.8.8: long-chain-acyl-CoA dehydrogenase.
Gene Ontology
Molecular Function
GO:0004466 long-chain fatty acyl-CoA dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016627 oxidoreductase activity, acting on the CH-CH group of donors
GO:0016937 short-chain fatty acyl-CoA dehydrogenase activity
GO:0070991 medium-chain fatty acyl-CoA dehydrogenase activity
Biological Process
GO:0006631 fatty acid metabolic process
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6ksa, PDBe:6ksa, PDBj:6ksa
PDBsum6ksa
PubMed32601219
UniProtQ3L887|FADE5_MYCS2 Broad-specificity linear acyl-CoA dehydrogenase FadE5 (Gene Name=fadE5)

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