4K9C

CRYSTAL STRUCTURE OF probable sugar kinase protein from Rhizobium etli CFN 42 complexed with N-(HYDROXYMETHYL)BENZAMIDE and 4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-CARBOXYLIC ACID

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	sugar kinase	polymer	352	38850.0	2	UniProt (Q2KDX6) Pfam (PF00294) In PDB	Rhizobium etli
2	A, B	ADENOSINE	non-polymer		267.2	2	Chemie (ADN)
3	A, B	4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid	non-polymer		193.2	2	Chemie (C29)
4	A, B	DIMETHYL SULFOXIDE	non-polymer		78.1	4	Chemie (DMS)
5	A, B	N-(hydroxymethyl)benzamide	non-polymer		151.2	2	Chemie (1Q8)
6	A, B	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
7		water	water		18.0	423	Chemie (HOH)

Sequence modifications

A, B: -1 - 328 (UniProt: Q2KDX6)

PDB	External Database	Details
Mse -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
Gly -14	-	expression tag
Val -13	-	expression tag
Asp -12	-	expression tag
Leu -11	-	expression tag
Gly -10	-	expression tag
Thr -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	77700.0
Non-Polymers*	Number of molecules	12
	Total formula weight	1613.9
All*	Total formula weight	79313.9

*Water molecules are not included.