Structure of PDB 6cy8 Chain B Binding Site BS02

Receptor Information
>6cy8 Chain B (length=370) Species: 717774 (Marinomonas mediterranea MMB-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNFEWTHEQAELFEHALRFGKELGFPRDNWNALGDFGYFGLPIPEKYAKD
GSGFDILTTIKIIEGLGQSCTDTGLLFAGAAHTFACSMPILEHGSETLKH
QLLPDLATKIAANAISEASAGSDISNLATTAQKEGDYYVLNGGKSYVTNG
SIADYYVVYATTNKKHGYLGQTAFVVPRNTPGISVGNDYHKLGLRSAPLN
QVFFDNCTIHKDYALGREGQGARIFAASMDWERCCLFAIFVGAMQRDLNQ
CIEYANTRMQGDKTISRFQAVSHRIADMGVRLESARLMLYYAAWQKSQDV
DNTKAVAMSKLAISEAFVQSGIDSIRVHGALGYLDEGRVNNSIKDALGSV
LFSGTSDIQRELICNRLGLL
Ligand information
Ligand IDPNS
InChIInChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1
InChIKeyJDMUPRLRUUMCTL-VIFPVBQESA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)(CO[P](O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS
ACDLabs 10.04O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O
OpenEye OEToolkits 1.5.0CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O
OpenEye OEToolkits 1.5.0CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O
CACTVS 3.341CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCS
FormulaC11 H23 N2 O7 P S
Name4'-PHOSPHOPANTETHEINE
ChEMBL
DrugBankDB03912
ZINC
PDB chain6cy8 Chain A Residue 100 [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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PDB6cy8 Insights into Thiotemplated Pyrrole Biosynthesis Gained from the Crystal Structure of Flavin-Dependent Oxidase in Complex with Carrier Protein.
Resolution2.729 Å
Binding residue
(original residue number in PDB)		S132 F235 A236 R243 S363 G364
Binding residue
(residue number reindexed from 1)		S122 F225 A226 R233 S353 G354
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) I125 S126 E242 N375
Catalytic site (residue number reindexed from 1) I115 S116 E232 N365
Enzyme Commision number 1.3.8.1: short-chain acyl-CoA dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003995 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:0050660 flavin adenine dinucleotide binding

View graph for
Molecular Function
External links
PDB RCSB:6cy8, PDBe:6cy8, PDBj:6cy8
PDBsum6cy8
PubMed30620182
UniProtF2K077

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