4Q3R

Crystal structure of Schistosoma mansoni arginase in complex with inhibitor ABHDP

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	polymer	385	42283.3	2	UniProt (Q6WVP6) Pfam (PF00491)	Schistosoma mansoni (Blood fluke)
2	C, D (C, D)	Arginase	polymer	385	42267.3	2	UniProt (Q6WVP6) Pfam (PF00491)	Schistosoma mansoni (Blood fluke)
3	AA, E, F, IA, JA... (C, A, D, B)	MANGANESE (II) ION	non-polymer		54.9	8	Chemie (MN)
4	BA, CA, EA, G, H... (C, A, D, B)	CESIUM ION	non-polymer		132.9	11	Chemie (CS)
5	DA, J, U, V (C, A, B)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
6	FA, K, LA, W (C, A, D, B)	(R)-2-amino-6-borono-2-(1-(3,4-dichlorobenzyl)piperidin-4-yl)hexanoic acid	non-polymer		434.1	4	Chemie (XA2)
7	GA, HA, L, M, X... (C, A, B)	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
8	N (A)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
9	MA, NA, OA, PA (A, B, C, D)	water	water		18.0	627	Chemie (HOH)

Sequence modifications

A, B: 1 - 364 (UniProt: Q6WVP6)

PDB	External Database	Details
Met -20	-	expression tag
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag

C, D: 1 - 364 (UniProt: Q6WVP6)

PDB	External Database	Details
Met -20	-	expression tag
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	169101.2
Non-Polymers*	Number of molecules	34
	Total formula weight	4482.6
All*	Total formula weight	173583.7

*Water molecules are not included.