Structure of PDB 7psw Chain A Binding Site BS01

Receptor Information
>7psw Chain A (length=330) Species: 227321 (Aspergillus nidulans FGSC A4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSVSKANVPKIDVSPLFGDDQAAKMRVAQQIDAASRDTGFFYAVNHGINV
QRLCQKTKEFHMSITPEEKWDLAIRAYNKEHQDQVRAGYYLSIPGKKAVE
SFCYLNPNFTPDHPRIQAKTPTHEVNVWPDETKHPGFQDFAEQYYWDVFG
LSSALLKGYALALGKEENFFARHFKPDDTLASVVLIRYPYLDPYPEAAIK
TAADGTKLSFEWHEDVSLITVLYQSNVQNLQVETAAGYQDIEADDTGYLI
NCGSYMAHLTNNYYKAPIHRVKWVNAERQSLPFFVNLGYDSVIDPFDPRE
PNGKSDREPLSYGDYLQNGLVSLINKNGQT
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain7psw Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7psw Spectroscopic studies reveal details of substrate-induced conformational changes distant from the active site in isopenicillin N synthase.
Resolution1.21 Å
Binding residue
(original residue number in PDB)		H214 D216 H270
Binding residue
(residue number reindexed from 1)		H213 D215 H269
Annotation score1
Enzymatic activity
Enzyme Commision number 1.21.3.1: isopenicillin-N synthase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016216 isopenicillin-N synthase activity
GO:0016491 oxidoreductase activity
GO:0031418 L-ascorbic acid binding
GO:0046872 metal ion binding
Biological Process
GO:0009058 biosynthetic process
GO:0017000 antibiotic biosynthetic process
GO:0042318 penicillin biosynthetic process
GO:0044283 small molecule biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7psw, PDBe:7psw, PDBj:7psw
PDBsum7psw
PubMed35835215
UniProtP05326|IPNA_EMENI Isopenicillin N synthase (Gene Name=ipnA)

[Back to BioLiP]