4ZU7

X-ray structure if the QdtA 3,4-ketoisomerase from Thermoanaerobacterium thermosaccharolyticum, double mutant Y17R/R97H, in complex with TDP

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, D, E... (A, B, C, D, E...)	QdtA	polymer	144	17140.8	8	UniProt (Q6TFC5) Pfam (PF05523)	Thermoanaerobacterium thermosaccharolyticum
2	I, J, K, L, N... (A, B, C, D, E...)	THYMIDINE-5'-DIPHOSPHATE	non-polymer		402.2	8	Chemie (TYD)
3	M (D)	(2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol	non-polymer		368.5	1	Chemie (PXN)
4	R, S, T, U, V... (A, B, C, D, E...)	water	water		18.0	179	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 1 - 136 (UniProt: Q6TFC5)

PDB	External Database	Details
Arg 17	Tyr 17	engineered mutation
Ser 52	Ala 52	SEE REMARK 999
Leu 94	Phe 94	SEE REMARK 999
Val 95	Leu 95	SEE REMARK 999
His 97	Arg 97	engineered mutation
Tyr 116	Cys 116	SEE REMARK 999
Leu 137	-	expression tag
Glu 138	-	expression tag
His 139	-	expression tag
His 140	-	expression tag
His 141	-	expression tag
His 142	-	expression tag
His 143	-	expression tag
His 144	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	137126.3
Non-Polymers*	Number of molecules	9
	Total formula weight	3586.0
All*	Total formula weight	140712.3

*Water molecules are not included.