5TDV

Intermediate O2 diiron complex in the Q228A variant of Toluene 4-moonoxygenase (T4moHD)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, E (A, D)	Toluene-4-monooxygenase system protein A	polymer	500	58099.2	2	UniProt (Q00456) Pfam (PF02332)	Pseudomonas mendocina	Toluene-4-monooxygenase hydroxylase subunit,T4moH
2	B, F (B, F)	Toluene-4-monooxygenase system protein E	polymer	327	38410.2	2	UniProt (Q00460) Pfam (PF02332)	Pseudomonas mendocina	T4moE
3	C, G (C, G)	Toluene-4-monooxygenase system protein B	polymer	84	9601.0	2	UniProt (Q00457) Pfam (PF06234)	Pseudomonas mendocina	T4moB
4	D, H (E, H)	Toluene-4-monooxygenase system protein D	polymer	103	11642.1	2	UniProt (Q00459) Pfam (PF02406)	Pseudomonas mendocina	T4mo effector protein D,T4moD,Toluene-4-monooxygenase effector protein
5	I, L (A, D)	PEROXIDE ION	non-polymer		32.0	2	Chemie (PER)
6	J, K, M, N (A, D)	FE (III) ION	non-polymer		55.8	4	Chemie (FE)
7	O, P, Q, R, S... (A, B, C, E, D...)	water	water		18.0	1509	Chemie (HOH)

Sequence modifications

A, D: 1 - 500 (UniProt: Q00456)

PDB	External Database	Details
Ala 228	Gln 228	engineered mutation
Trp 336	Leu 336	conflict
Tyr 337	Asp 337	conflict
Asp 382	Asn 382	conflict
Asp 465	Glu 465	conflict

B, F: 0 - 326 (UniProt: Q00460)

PDB	External Database	Details
Tyr 239	Trp 240	conflict

E, H: 0 - 102 (UniProt: Q00459)

PDB	External Database	Details
Gln 5	Asp 6	conflict

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	235505.1
Non-Polymers*	Number of molecules	6
	Total formula weight	287.4
All*	Total formula weight	235792.4

*Water molecules are not included.