Structure of PDB 6lpy Chain B Binding Site BS03

Receptor Information
>6lpy Chain B (length=607) Species: 1772 (Mycolicibacterium smegmatis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHYKSNVRDQVFNLFEVFGVDKVLGADKFSDLDADTAREMLTEIARLAEG
PIAESFVEGDRNPPVFDPETHTVTLPEGFKKSMRALFDGGWDKVGLAEHL
GGIPMPRALQWALIEHILGANPAAYMYAMGPGMSEIFYNNGTDEQKKWAT
IAAERGWGATMVLTEPDAGSDVGAGRTKAVQQPDGTWHIEGVKRFITSAD
SDDLFENIMHLVLARPEGAGPGTKGLSLFFVPKFHFDHETGEIGERNGVF
VTNVEHKMGLKVSATCELSLGQHGIPAVGWLVGEVHNGIAQMFDVIEQAR
MMVGTKAIATLSTGYLNALEYAKERVQGADMTQMTDKTAPRVTITHHPDV
RRSLMTQKAYAEGLRAIYLYTATFQDAEVAQAVHGVDGDLAARVNDLLLP
IVKGFGSETAYAKLTESLQTLGGSGFLQDYPIEQYIRDSKIDSLYAGTTA
IQAQDFFFRKIIRDKGQALAYVAGEIEQFIKNNGRLKTERELLATALADV
QGMAASLTGYLMAAQEDAASIYKVGLGSVRFLMAVGDLLSGWLLARQAAV
AIEKLDAGATGADKSFYEGKIAAASFFAKNMLPLLTSTRQIIENLDNDVM
ELDEAAF
Ligand information
Ligand IDBUA
InChIInChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKeyFERIUCNNQQJTOY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCC(=O)O
CACTVS 3.385CCCC(O)=O
FormulaC4 H8 O2
Namebutanoic acid
ChEMBLCHEMBL14227
DrugBankDB03568
ZINCZINC000000895132
PDB chain6lpy Chain B Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6lpy Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y446 A447
Binding residue
(residue number reindexed from 1)		Y445 A446
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:6lpy, PDBe:6lpy, PDBj:6lpy
PDBsum6lpy
PubMed32601219
UniProtQ3L887|FADE5_MYCS2 Broad-specificity linear acyl-CoA dehydrogenase FadE5 (Gene Name=fadE5)

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