5BRE

Crystal structure of Trypanosoma cruzi glucokinase in complex with inhibitor CBZ-GlcN

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)	Glucokinase 1, putative	polymer	381	42226.6	2	UniProt (Q4E4E1) Pfam (PF02685)	Trypanosoma cruzi (strain CL Brener)
2	C, D (A, B)	2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-D-glucopyranose	non-polymer		313.3	2	Chemie (4UZ) PubChem (18334294) PubChem (26967491) PubChem (26967494) PubChem (27549706) PubChem (29975418) PubChem (44119780) PubChem (40556472) PubChem (2735494) PubChem (46780169) PubChem (46837291) PubChem (94001674) PubChem (13474485) PubChem (66669987) PubChem (68384819) PubChem (70386038) PubChem (71299581) PubChem (90194603) PubChem (92274360) PubChem (95566413) PubChem (96327452) PubChem (344742) PubChem (6409684) PubChem (7173936) PubChem (7173938) PubChem (10957958) PubChem (11758791) PubChem (11888394) PubChem (11888395) PubChem (11888396) PubChem (11888397) PubChem (13474484) PubChem (13474486) PubChem (132936077) PubChem (134881001) PubChem (168358277) PubChem (168370746) PubChem (168371751) PubChem (168372530) PubChem (172641816)
3	E, F (A, B)	water	water		18.0	4	Chemie (HOH)

Sequence modifications

A, B: 1 - 367 (UniProt: Q4E4E1)

PDB	External Database	Details
Met -13	-	initiating methionine
Gly -12	-	expression tag
Arg -11	-	expression tag
Gly -10	-	expression tag
Ser -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
Gly -2	-	expression tag
Met -1	-	expression tag
Ala 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	84453.3
Non-Polymers*	Number of molecules	2
	Total formula weight	626.6
All*	Total formula weight	85079.9

*Water molecules are not included.