4O9G

Crystal structure of the H51N mutant of the 3,4-ketoisomerase QdtA from Thermoanaerobacterium thermosaccharolyticum in complex with TDP-4-keto-6-deoxyglucose

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	QdtA	polymer	144	17141.8	2	UniProt (Q6TFC5) Pfam (PF05523) In PDB	Thermoanaerobacterium thermosaccharolyticum	3,4-ketoisomerase
2	A, B	dTDP-4-keto-6-deoxyglucose	non-polymer		546.3	2	Chemie (T46)
3	B	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4	B	(2S)-1-[3-[(2S)-2-oxidanylpropoxy]-2-[[(2S)-2-oxidanylpropoxy]methyl]-2-[[(2R)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol	non-polymer		368.5	1	Chemie (4TD)
5		water	water		18.0	173	Chemie (HOH)

Sequence modifications

A, B: 1 - 136 (UniProt: Q6TFC5)

PDB	External Database	Details
Asn 51	His 51	engineered mutation
Ser 52	Ala 52	SEE REMARK 999
Leu 94	Phe 94	SEE REMARK 999
Val 95	Leu 95	SEE REMARK 999
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	2
	Total formula weight	34283.6
Non-Polymers*	Number of molecules	4
	Total formula weight	1523.2
All*	Total formula weight	35806.7

*Water molecules are not included.