Structure of PDB 8py7 Chain A Binding Site BS03
Receptor Information
>8py7 Chain A (length=329) Species:
227321
(Aspergillus nidulans FGSC A4) [
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SVSKANVPKIDVSPLFGDDQAAKMRVAQQIDAASRDTGFFYAVNHGINVQ
RLSQKTKEFHMSITPEEKWDLAIRAYNKEHQDQVRAGYYLSIPGKKAVES
FCYLNPNFTPDHPRIQAKTPTHEVNVWPDETKHPGFQDFAEQYYWDVFGL
SSALLKGYALALGKEENFFARHFKPDDTLASVVLIRYPYLDPYPEAAIKT
AADGTKLSFEWHEDVSLITVLYQSNVQNLQVETAAGYQDIEADDTGYLIN
CGSYMAHLTNNYYKAPIHRVKWVNAERQSLPFFVNLGYDSVIDPFDPREP
NGKSDREPLSYGDYLQNGLVSLINKNGQT
Ligand information
Ligand ID
FE
InChI
InChI=1S/Fe/q+3
InChIKey
VTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0
[Fe+3]
Formula
Fe
Name
FE (III) ION
ChEMBL
DrugBank
DB13949
ZINC
PDB chain
8py7 Chain A Residue 405 [
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Receptor-Ligand Complex Structure
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Structure summary
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PDB
8py7
Isopenicillin N synthase in complex with Fe, ACdV and O2 after 1s O2 exposure
Resolution
1.49 Å
Binding residue
(original residue number in PDB)
H214 D216 H270
Binding residue
(residue number reindexed from 1)
H212 D214 H268
Annotation score
1
External links
PDB
RCSB:8py7
,
PDBe:8py7
,
PDBj:8py7
PDBsum
8py7
PubMed
UniProt
P05326
|IPNA_EMENI Isopenicillin N synthase (Gene Name=ipnA)
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