8ZX0

Crystal Structure of CntL in complex with a dual-site inhibitor

This is a non-PDB format compatible entry.

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)	D-histidine 2-aminobutanoyltransferase	polymer	280	31958.1	2	UniProt (A0A0H3JXA8) UniProt (by SIFTS) (Q2FVE5)	Staphylococcus aureus subsp. aureus Mu50	Nicotianamine synthase-like enzyme,NAS
2	C, G (A, B)	(2S)-2-[2-[[(2S,3S,4R,5R)-5-(6-azanyl-2-chloranyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]ethylamino]-3-(1H-imidazol-4-yl)propanoic acid	non-polymer		498.9	2	Chemie (A1D9C)
3	D, H, I, J (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
4	E, F (A)	CYSTEINE	non-polymer		121.2	2	Chemie (CYS)
5	K (B)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
6	L, M (A, B)	water	water		18.0	109	Chemie (HOH)

Sequence modifications

A, B: 6 - 272 (UniProt: A0A0H3JXA8)

PDB	External Database	Details
Met -7	-	initiating methionine
Gly -6	-	expression tag
Ser -5	-	expression tag
Ser -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
His 2	-	expression tag
Ser 3	-	expression tag
Ser 4	-	expression tag
Gly 5	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	63916.3
Non-Polymers*	Number of molecules	9
	Total formula weight	1528.6
All*	Total formula weight	65444.8

*Water molecules are not included.