9HWF

Isopenicillin N synthase N252E variant in complex with Fe and IPN after O2 exposure

Functional Information from PROSITE/UniProt

site_id	PS00185
Number of Residues	10
Details	IPNS_1 Isopenicillin N synthase signature 1. KkAveSfCYL

Chain	Residue	Details
A	LYS97-LEU106

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site_id	PS00186
Number of Residues	14
Details	IPNS_2 Isopenicillin N synthase signature 2. LIeCGSymAhlTnN

Chain	Residue	Details
A	LEU250-ASN263

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	112
Details	Domain: {"description":"Fe2OG dioxygenase","evidences":[{"source":"PROSITE-ProRule","id":"PRU00805","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	5
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10537113","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"28703303","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9194566","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1BK0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QJE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2BJS","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10537113","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"28703303","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9194566","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1QJE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2BJS","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10537113","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9194566","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1QJE","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00805","evidenceCode":"ECO:0000255"},{"source":"PDB","id":"1BK0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1BLZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HB1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HB2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HB3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HB4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1OBN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1OC1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ODM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ODN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QIQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QJE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QJF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1UZW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1W03","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1W04","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1W05","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1W06","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1W3V","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1W3X","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2BU9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2IVI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2IVJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2JB4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2VAU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2VBB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2VBD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2VBP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2VCM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2VE1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WO7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2Y60","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2Y6F","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ZKU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ZOI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4BB3","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00805","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	Site: {"description":"Transition state stabilizer","evidences":[{"source":"PDB","id":"1QJE","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 145

Chain	Residue	Details
A	PHE211	polar/non-polar interaction, steric role
A	HIS214	metal ligand
A	ASP216	metal ligand
A	HIS270	metal ligand

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