Structure of PDB 1qjf Chain A

Receptor sequence

>1qjfA (length=328) Species: 227321 (Aspergillus nidulans FGSC A4)

VSKANVPKIDVSPLFGDDQAAKMRVAQQIDAASRDTGFFYAVNHGINVQR
LSQKTKEFHMSITPEEKWDLAIRAYNKEHQDQVRAGYYLSIPGKKAVESF
CYLNPNFTPDHPRIQAKTPTHEVNVWPDETKHPGFQDFAEQYYWDVFGLS
SALLKGYALALGKEENFFARHFKPDDTLASVVLIRYPYLDPYPEAAIKTA
ADGTKLSFEWHEDVSLITVLYQSNVQNLQVETAAGYQDIEADDTGYLINC
GSYMAHLTNNYYKAPIHRVKWVNAERQSLPFFVNLGYDSVIDPFDPREPN
GKSDREPLSYGDYLQNGLVSLINKNGQT

3D structure

• PDB: 1qjf The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction
• Chain: A
• Resolution: 1.4 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): L186 F211 H214 D216 H270
• Catalytic site (residue number reindexed from 1): L183 F208 H211 D213 H267
• Enzyme Commision number: 1.21.3.1: isopenicillin-N synthase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ACS	A	R87 S183 I187 Y189 F211 H214 D216 L231 H270 S281 F285	R84 S180 I184 Y186 F208 H211 D213 L228 H267 S278 F282
BS02	FE2	A	H214 D216 H270	H211 D213 H267

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

External links

• PDB: RCSB:1qjf, PDBe:1qjf, PDBj:1qjf
• PDBsum: 1qjf
• PubMed: 10537113
• UniProt: P05326|IPNA_EMENI Isopenicillin N synthase (Gene Name=ipnA)