7OZX

Structure of human galactokinase 1 bound with azepan-1-yl(2,6-difluorophenyl)methanone

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 (A, B, C, D)	Galactokinase	polymer	399	43103.0	4	UniProt (P51570) Pfam (PF10509) Pfam (PF00288) Pfam (PF08544)	Homo sapiens (Human)	Galactose kinase
2	E, G, J (A, B, C)	beta-D-galactopyranose	non-polymer		180.2	3	Chemie (GAL)
3	F, H, K (A, B, C)	2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one	non-polymer		350.4	3	Chemie (HFK)
4	I, L (B, C)	(azepan-1-yl)(2,6-difluorophenyl)methanone	non-polymer		239.3	2	Chemie (WLJ)
5	M, N, O, P (A, B, C, D)	water	water		18.0	621	Chemie (HOH)

Sequence modifications

A, B, C, D: 2 - 392 (UniProt: P51570)

PDB	External Database	Details
Met -6	-	initiating methionine
Ala -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
Ala 252	Lys 252	engineered mutation
Ala 253	Glu 253	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	172411.9
Non-Polymers*	Number of molecules	8
	Total formula weight	2070.2
All*	Total formula weight	174482.1

*Water molecules are not included.