4U5Q

High resolution crystal structure of reductase (R) domain of nonribosomal peptide synthetase from Mycobacterium tuberculosis

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Peptide synthetase	polymer	478	52257.0	2	UniProt (Q10896) Pfam (PF07993)	Mycobacterium tuberculosis	Probable peptide synthetase Nrp (Peptide synthase)
2	C (B)	3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL	non-polymer		458.5	1	Chemie (XPE)
3	D, E (A, B)	water	water		18.0	610	Chemie (HOH)

Sequence modifications

A, B: 2056 - 2512 (UniProt: Q10896)

PDB	External Database	Details
Met 2035	-	expression tag
Gly 2036	-	expression tag
Ser 2037	-	expression tag
Ser 2038	-	expression tag
His 2039	-	expression tag
His 2040	-	expression tag
His 2041	-	expression tag
His 2042	-	expression tag
His 2043	-	expression tag
His 2044	-	expression tag
Ser 2045	-	expression tag
Ser 2046	-	expression tag
Gly 2047	-	expression tag
Leu 2048	-	expression tag
Val 2049	-	expression tag
Pro 2050	-	expression tag
Arg 2051	-	expression tag
Gly 2052	-	expression tag
Ser 2053	-	expression tag
His 2054	-	expression tag
Met 2055	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	104514.0
Non-Polymers*	Number of molecules	1
	Total formula weight	458.5
All*	Total formula weight	104972.5

*Water molecules are not included.