6QAF

Crystal structure of human Arginase-1 at pH 9.0 in complex with CB-1158/INCB001158

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Arginase-1	polymer	342	36951.2	2	UniProt (P05089) Pfam (PF00491)	Homo sapiens (Human)	Liver-type arginase,Type I arginase
2	C, D, G, H (A, B)	MANGANESE (II) ION	non-polymer		54.9	4	Chemie (MN)
3	E, I (A, B)	[(~{E})-3-[(3~{S},4~{R})-4-azanyl-1-[(2~{S})-2-azanylpropanoyl]-4-carboxy-pyrrolidin-3-yl]prop-1-enyl]-tris(oxidanyl)boranium	non-polymer		302.1	2	Chemie (XC3)
4	F, J (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
5	K, L (A, B)	water	water		18.0	376	Chemie (HOH)

Sequence modifications

A, B: 1 - 322 (UniProt: P05089)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	73902.5
Non-Polymers*	Number of molecules	8
	Total formula weight	870.0
All*	Total formula weight	74772.4

*Water molecules are not included.