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 (A)	Phosphoenolpyruvate carboxykinase [GTP]	polymer	626	69495.3	1	UniProt (I6Y334) Pfam (PF17297) Pfam (PF00821) UniProt (by SIFTS) (P9WIH3)	Mycobacterium tuberculosis H37Rv	PEP carboxykinase, PEPCK
2	B (A)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	1	Chemie (GDP) PubChem (136073927) PubChem (135398619) PubChem (135402030) PubChem (135431654) PubChem (135566337) PubChem (135760556) PubChem (136026707) PubChem (136053418) PubChem (136663964) PubChem (136664748) PubChem (136759848) PubChem (136759849) PubChem (136759850) PubChem (136836636) PubChem (136847074) PubChem (172898537)
3	C (A)	MANGANESE (II) ION	non-polymer		54.9	1	Chemie (MN) PubChem (27854)
4	D, E, F, G (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	4	Chemie (PEG) PubChem (8117)
5	H (A)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4) PubChem (1061)
6	I (A)	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.