4NS3

Crystal structure of the Delta-pyrroline-5-carboxylate dehydrogenase from Mycobacterium tuberculosis bound with NAD and cobalamin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E...	Delta-1-pyrroline-5-carboxylate dehydrogenase	polymer	563	61210.7	6	UniProt (L7N4Z6) Pfam (PF00171) UniProt (by SIFTS) (O50443) In PDB	Mycobacterium tuberculosis	Pyrroline-5-carboxylate dehydrogenase RocA
2	A, B, C, D	COBALAMIN	non-polymer		1330.4	4	Chemie (B12)
3	E, F	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
4		water	water		18.0	2631	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 1 - 543 (UniProt: L7N4Z6)

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
Asp 505	Gly 505	ENGINEERED MUTATION

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	367264.1
Non-Polymers*	Number of molecules	6
	Total formula weight	6648.3
All*	Total formula weight	373912.4

*Water molecules are not included.