4DEC

Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate (UDP) and phosphoglyceric acid (PGA)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	GLUCOSYL-3-PHOSPHOGLYCERATE SYNTHASE (GpgS)	polymer	344	36582.7	1	UniProt (O05309) Pfam (PF00535) UniProt (by SIFTS) (P9WMW9)	Mycobacterium tuberculosis
2	B (A)	URIDINE-5'-DIPHOSPHATE	non-polymer		404.2	1	Chemie (UDP) PubChem (1158) PubChem (6031) PubChem (25323044) PubChem (25323048) PubChem (44298965) PubChem (53486216) PubChem (60098857) PubChem (57448939) PubChem (3084486) PubChem (91746160) PubChem (6101632) PubChem (92332560) PubChem (92332561) PubChem (92332562) PubChem (92332563) PubChem (93088131) PubChem (93630083) PubChem (6604175) PubChem (11811538) PubChem (12049241)
3	C (A)	MANGANESE (II) ION	non-polymer		54.9	1	Chemie (MN) PubChem (27854)
4	D (A)	3-PHOSPHOGLYCERIC ACID	non-polymer		186.1	1	Chemie (3PG)
5	E, G (A)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4) PubChem (1061)
6	F (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL) PubChem (753)
7	H (A)	water	water		18.0	217	Chemie (HOH)

Sequence modifications

A: 1 - 324 (UniProt: O05309)

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	36582.7
Non-Polymers*	Number of molecules	6
	Total formula weight	927.2
All*	Total formula weight	37509.8

*Water molecules are not included.