9IA1

Crystal Structure of AgcA bound to 4-ethylguaiacol

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, A)	Cytochrome P450	polymer	401	44487.8	2	UniProt (A0A562ETV5)	Rhodococcus rhodochrous
2	C, E (B, A)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, F (B, A)	4-ethyl-2-methoxy-phenol	non-polymer		152.2	2	Chemie (A1I1N)
4	G, H (B, A)	water	water		18.0	1033	Chemie (HOH)

Sequence modifications

B, A: 26 - 424 (UniProt: A0A562ETV5)

PDB	External Database	Details
Thr 24	-	expression tag
His 25	-	expression tag
Tyr 62	His 42	conflict
Ala 78	Thr 58	conflict
Asn 79	Thr 59	conflict
Lys 421	Glu 401	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	88975.5
Non-Polymers*	Number of molecules	4
	Total formula weight	1537.4
All*	Total formula weight	90512.9

*Water molecules are not included.