4P1B

CRYSTAL STRUCTURE OF THE TOLUENE 4-MONOOXYGENASE HYDROXYLASE-FERREDOXIN C7S E16C C84A C85A VARIANT ELECTRON-TRANSFER COMPLEX

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D (A, D)	Toluene-4-monooxygenase system protein A	polymer	490	57089.9	2	UniProt (Q00456) Pfam (PF02332)	Pseudomonas mendocina	Toluene-4-monooxygenase hydroxylase subunit, T4moH
2	B, E (B, E)	Toluene-4-monooxygenase system protein E	polymer	305	35930.4	2	UniProt (Q00460) Pfam (PF02332)	Pseudomonas mendocina	T4moE
3	C, F (C, F)	Toluene-4-monooxygenase system protein B	polymer	82	9340.7	2	UniProt (Q00457) Pfam (PF06234)	Pseudomonas mendocina	T4moB
4	G, H (H, I)	Toluene-4-monooxygenase system ferredoxin subunit	polymer	111	12099.3	2	UniProt (Q00458) Pfam (PF00355)	Pseudomonas mendocina	Toluene-4-monooxygenase system protein C, T4moC
5	I, J, P, Q (A, D)	FE (III) ION	non-polymer		55.8	4	Chemie (FE)
6	K, L, M, O, S... (A, B, D)	ACETATE ION	non-polymer		59.0	7	Chemie (ACT)
7	N (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
8	R (D)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
9	V, W (H, I)	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	2	Chemie (FES)
10	AA, BA, CA, DA, EA... (D, E, F, H, I...)	water	water		18.0	1917	Chemie (HOH)

Sequence modifications

A, D: 2 - 491 (UniProt: Q00456)

PDB	External Database	Details
Trp 336	Leu 336	see remark 999
Tyr 337	Asp 337	see remark 999

H, I: 2 - 112 (UniProt: Q00458)

PDB	External Database	Details
Ser 7	Cys 7	engineered mutation
Cys 16	Glu 16	engineered mutation
Ala 84	Cys 84	engineered mutation
Ala 85	Cys 85	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	228920.6
Non-Polymers*	Number of molecules	15
	Total formula weight	1117.4
All*	Total formula weight	230038.0

*Water molecules are not included.