Structure of PDB 6af6 Chain A Binding Site BS02

Receptor Information
>6af6 Chain A (length=383) Species: 104623 (Prodigiosinella confusarubida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDFNLSNSQSDIYESAYRFACDVLDQDAQTRISQKILSTELWKKAAAYGF
AHGPVSHQFGGSELGALDTALMIEALGKGSRDIGLSFSLCAHLCACVIPL
YRFGSSELKDKYLESLVTGKLIAANAATEPDAGSDIYNMQATAQPCEGGY
ILNGKKIFITNAPIADVFIIYAKTNPDHGFLGVSAFLIEKGTPGLNVGEV
IPKDCLSNCPWSEIVFNDIFIPQSQRIGMEGAGGAIFHDSMIWAKGCLSA
LFVGGLARLLETTLEYAKARQQFGKAIGQFQSVSNRIIDMKLRLEQCRLM
LYRACWKHDQGQDAEADIAMSKLLISEYAVQSGLDAIQTFGGAAMDQELG
LVRHLLNMIPSRIFSGTNDIQKEIIARKLGLRG
Ligand information
Ligand IDO4B
InChIInChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
InChIKeyXEZNGIUYQVAUSS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		C1COCCOCCOCCOCCOCCO1
ACDLabs 12.01O1CCOCCOCCOCCOCCOCC1
FormulaC12 H24 O6
Name1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE
ChEMBLCHEMBL155204
DrugBank
ZINCZINC000003861356
PDB chain6af6 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6af6 Crystal Structure of PigA: A Prolyl Thioester-Oxidizing Enzyme in Prodigiosin Biosynthesis.
Resolution1.62 Å
Binding residue
(original residue number in PDB)		L41 K44
Binding residue
(residue number reindexed from 1)		L41 K44
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) A127 T128 A244 R377
Catalytic site (residue number reindexed from 1) A127 T128 A244 R377
Enzyme Commision number 1.3.8.14: L-prolyl-[peptidyl-carrier protein] dehydrogenase.
Gene Ontology
Molecular Function
GO:0003995 acyl-CoA dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016627 oxidoreductase activity, acting on the CH-CH group of donors
GO:0050660 flavin adenine dinucleotide binding
Biological Process
GO:0017000 antibiotic biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6af6, PDBe:6af6, PDBj:6af6
PDBsum6af6
PubMed30095206
UniProtQ5W271|PIGA_SERS3 L-prolyl-[peptidyl-carrier protein] dehydrogenase (Gene Name=pigA)

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