7Q06

Crystal structure of TPADO in complex with 2-OH-TPA

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	Terephthalate 1,2-dioxygenase, terminal oxygenase component subunit beta 1	polymer	154	17249.4	3	UniProt (Q3C1E2) Pfam (PF13577) In PDB	Comamonas sp.	TPADO terminal oxygenase component,TER dioxygenase system,TERDOS,Terephthalate 1,2-dioxygenase small subunit 1
2	D, E, F	Terephthalate 1,2-dioxygenase, terminal oxygenase component subunit alpha 2	polymer	428	48166.8	3	UniProt (Q3C1D5) Pfam (PF00355) Pfam (PF00848) In PDB	Comamonas sp.	TPADO terminal oxygenase component,TER dioxygenase system,TERDOS,Terephthalate 1,2-dioxygenase large subunit 2
3	H	Lysozyme	polymer	129	14331.2	1	UniProt (P00698) Pfam (PF00062) In PDB	Gallus gallus
4	B, D, E, F, H	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
5	D, E, F	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	3	Chemie (FES)
6	D, F	FE (III) ION	non-polymer		55.8	2	Chemie (FE)
7	D, E, F	2-Hydroxyterephthalic acid	non-polymer		182.1	3	Chemie (8IB)
8		water	water		18.0	921	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	14
	Total formula weight	1761.9
All*	Total formula weight	212341.6

*Water molecules are not included.