7Q04

Crystal structure of TPADO in a substrate-free state

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 (A, B, C)	Terephthalate 1,2-dioxygenase, terminal oxygenase component subunit beta 1	polymer	154	17249.4	3	UniProt (Q3C1E2) Pfam (PF13577)	Comamonas sp.	TPADO terminal oxygenase component,TER dioxygenase system,TERDOS,Terephthalate 1,2-dioxygenase small subunit 1
2	D, E, F (D, E, F)	Terephthalate 1,2-dioxygenase, terminal oxygenase component subunit alpha 2	polymer	428	48166.8	3	UniProt (Q3C1D5) Pfam (PF00355) Pfam (PF00848)	Comamonas sp.	TPADO terminal oxygenase component,TER dioxygenase system,TERDOS,Terephthalate 1,2-dioxygenase large subunit 2
3	G (H)	Lysozyme	polymer	129	14331.2	1	UniProt (P00698) Pfam (PF00062)	Gallus gallus (chicken)
4	H, J, K (D, E, F)	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	3	Chemie (FES)
5	I (D)	FE (III) ION	non-polymer		55.8	1	Chemie (FE)
6	L, M, N, O, P... (A, B, C, D, E...)	water	water		18.0	408	Chemie (HOH)

Sequence modifications

D, E, F: 1 - 413 (UniProt: Q3C1D5)

PDB	External Database	Details
Met -1	-	initiating methionine
Gly 0	-	expression tag
Glu 414	-	expression tag
Asn 415	-	expression tag
Leu 416	-	expression tag
Tyr 417	-	expression tag
Phe 418	-	expression tag
Gln 419	-	expression tag
Gly 420	-	expression tag
His 421	-	expression tag
His 422	-	expression tag
His 423	-	expression tag
His 424	-	expression tag
His 425	-	expression tag
His 426	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	7
	Total formula weight	210579.7
Non-Polymers*	Number of molecules	4
	Total formula weight	583.3
All*	Total formula weight	211163.0

*Water molecules are not included.