4WPU

Crystal Structure of E83A mutant of Mtb PEPCK in complex with PEP and GDP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Phosphoenolpyruvate carboxykinase [GTP]	polymer	622	68988.7	1	UniProt (A5TYT6) Pfam (PF17297) Pfam (PF00821)	Mycobacterium tuberculosis	PEPCK
2	B (A)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	1	Chemie (GDP)
3	C (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	D (A)	PHOSPHOENOLPYRUVATE	non-polymer		168.0	1	Chemie (PEP)
5	E (A)	water	water		18.0	360	Chemie (HOH)

Sequence modifications

A: 1 - 606 (UniProt: A5TYT6)

PDB	External Database	Details
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
Ala -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Ala 83	Glu 83	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	68988.7
Non-Polymers*	Number of molecules	3
	Total formula weight	703.3
All*	Total formula weight	69692.0

*Water molecules are not included.