3PM5

Crystal Structure of BoxB in mixed valent state with bound benzoyl-CoA

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)	Benzoyl-CoA oxygenase component B	polymer	481	55668.2	4	UniProt (Q9AIX7)	Azoarcus evansii	Benzoyl-CoA 2,3-dioxygenase subunit B, Benzoyl-CoA dioxygenase oxygenase component
2	AA, E, G, I, T... (D, A, C)	SULFATE ION	non-polymer		96.1	7	Chemie (SO4)
3	BA, DA, F, H, N... (D, A, B, C)	FE (III) ION	non-polymer		55.8	8	Chemie (FE)
4	CA, J, K, X (D, A, C)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
5	EA, L, O, Q (D, A, B)	S-1,2-PROPANEDIOL	non-polymer		76.1	4	Chemie (PGO)
6	HA, M, R, Z (D, A, B, C)	benzoyl coenzyme A	non-polymer		871.6	4	Chemie (BYC)
7	FA, Y (D, C)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
8	GA (D)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
9	IA, JA, KA, LA (A, B, C, D)	water	water		18.0	629	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 473 (UniProt: Q9AIX7)

PDB	External Database	Details
Trp 474	-	SEE REMARK 999
Ser 475	-	SEE REMARK 999
His 476	-	SEE REMARK 999
Pro 477	-	SEE REMARK 999
Gln 478	-	SEE REMARK 999
Phe 479	-	SEE REMARK 999
Glu 480	-	SEE REMARK 999
Lys 481	-	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	222672.9
Non-Polymers*	Number of molecules	30
	Total formula weight	5386.3
All*	Total formula weight	228059.2

*Water molecules are not included.