7SH5

Crystal structure of CYP142A3 from Mycobacterium ulcerans bound to Cholest-4-en-3-one

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Cytochrome P450 142A3	polymer	402	45362.5	4	UniProt (A0PUV7)	Mycobacterium ulcerans	Cyp142A3
2	E, M, S, Z (A, B, C, D)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	AA, F, N, T (D, A, B, C)	(8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE	non-polymer		384.6	4	Chemie (K2B) PubChem (16401110) PubChem (44135458) PubChem (91477) PubChem (1768412) PubChem (1768414) PubChem (1768413) PubChem (51421552) PubChem (56846550) PubChem (51521445) PubChem (2752865) PubChem (1551110) PubChem (440) PubChem (7091685) PubChem (124427152) PubChem (7163287) PubChem (7002052) PubChem (7002053) PubChem (7059410) PubChem (7091686) PubChem (7543587) PubChem (7543628) PubChem (11869372) PubChem (11869370) PubChem (11907761) PubChem (9821466) PubChem (12284315) PubChem (11395010) PubChem (11869371) PubChem (11869373) PubChem (11875865) PubChem (11875866) PubChem (11887412) PubChem (11907762) PubChem (12120345) PubChem (12284307) PubChem (12284308) PubChem (12284314) PubChem (124903274) PubChem (124903275) PubChem (129448949) PubChem (134458030) PubChem (142330808) PubChem (143806473) PubChem (146165635) PubChem (162992313) PubChem (171669540)
4	BA, CA, DA, EA, G... (D, A, B, C)	SODIUM ION	non-polymer		23.0	13	Chemie (NA) PubChem (923)
5	FA, K, L, P, Q... (D, A, B, C)	ACETATE ION	non-polymer		59.0	7	Chemie (ACT) PubChem (175)
6	GA, HA, IA, JA (A, B, C, D)	water	water		18.0	1642	Chemie (HOH)

Sequence modifications

A, B, C, D: 3 - 402 (UniProt: A0PUV7)

PDB	External Database	Details
Met 1	-	initiating methionine
Ala 2	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	181449.9
Non-Polymers*	Number of molecules	28
	Total formula weight	4716.7
All*	Total formula weight	186166.5

*Water molecules are not included.