4P1C

CRYSTAL STRUCTURE OF THE TOLUENE 4-MONOOXYGENASE HYDROXYLASE-FERREDOXIN C7S, 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	12125.3	2	UniProt (Q00458) Pfam (PF00355)	Pseudomonas mendocina	Toluene-4-monooxygenase system protein C, T4moC
5	I, J, L, M (A, D)	FE (III) ION	non-polymer		55.8	4	Chemie (FE)
6	K, N (A, D)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
7	O, P (H, I)	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	2	Chemie (FES)
8	Q, R, S, T, U... (A, B, C, D, E...)	water	water		18.0	609	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
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	228972.5
Non-Polymers*	Number of molecules	8
	Total formula weight	787.3
All*	Total formula weight	229759.8

*Water molecules are not included.