Structure of PDB 5zw2 Chain A Binding Site BS03

Receptor Information
>5zw2 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
IPKDCLSNCPWSEIVFNDIFIPQSQRIGMEGAGGAIFHDSMIWEKGCLSA
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 chain5zw2 Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5zw2 Crystal Structure of PigA: A Prolyl Thioester-Oxidizing Enzyme in Prodigiosin Biosynthesis.
Resolution1.803 Å
Binding residue
(original residue number in PDB)		K275 F280
Binding residue
(residue number reindexed from 1)		K275 F280
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) A127 T128 E244 R377
Catalytic site (residue number reindexed from 1) A127 T128 E244 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:5zw2, PDBe:5zw2, PDBj:5zw2
PDBsum5zw2
PubMed30095206
UniProtQ5W271|PIGA_SERS3 L-prolyl-[peptidyl-carrier protein] dehydrogenase (Gene Name=pigA)

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