4R43

Crystal Structure Analysis of MTB PEPCK

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Phosphoenolpyruvate carboxykinase [GTP]	polymer	626	69495.3	1	UniProt (I6Y334) Pfam (PF17297) Pfam (PF00821) UniProt (by SIFTS) (P9WIH3) In PDB	Mycobacterium tuberculosis H37Rv	PEP carboxykinase, PEPCK
2	A	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	1	Chemie (GDP)
3	A	MANGANESE (II) ION	non-polymer		54.9	1	Chemie (MN)
4	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	4	Chemie (PEG)
5	A	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
6		water	water		18.0	96	Chemie (HOH)

Sequence modifications

A: 1 - 606 (UniProt: I6Y334)

PDB	External Database	Details
Met -19	-	expression tag
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	1
	Total formula weight	69495.3
Non-Polymers*	Number of molecules	7
	Total formula weight	1017.6
All*	Total formula weight	70512.8

*Water molecules are not included.