4WOU

Crystal Structure of Mtb PEPCK in complex with GDP and metals

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	69046.7	1	UniProt (A5TYT6) Pfam (PF17297) Pfam (PF00821)	Mycobacterium tuberculosis	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)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL) PubChem (753)
4	D (A)	MANGANESE (II) ION	non-polymer		54.9	1	Chemie (MN) PubChem (27854)
5	E (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
6	F (A)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4) PubChem (1061)
7	G (A)	water	water		18.0	316	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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	69046.7
Non-Polymers*	Number of molecules	5
	Total formula weight	750.6
All*	Total formula weight	69797.3

*Water molecules are not included.