6G58

Structure of the alanine racemase from Staphylococcus aureus in complex with a pyridoxal 5' phosphate-derivative

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Alanine racemase 1	polymer	404	45285.8	2	UniProt (P63479) Pfam (PF01168) Pfam (PF00842) In PDB	Staphylococcus aureus
2	A, B	(6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate	non-polymer		271.2	2	Chemie (EOW)
3	A, B	SODIUM ION	non-polymer		23.0	6	Chemie (NA)
4	A, B	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	8	Chemie (MPD)
5	A, B	ACETATE ION	non-polymer		59.0	6	Chemie (ACT)
6	B	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
7	B	(4R)-2-METHYLPENTANE-2,4-DIOL	non-polymer		118.2	1	Chemie (MRD)
8	B	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
9		water	water		18.0	482	Chemie (HOH)

Sequence modifications

A, B: 2 - 382 (UniProt: P63479)

PDB	External Database	Details
Met -21	-	initiating methionine
Ala -20	-	expression tag
Ser -19	-	expression tag
Trp -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
Pro -15	-	expression tag
Gln -14	-	expression tag
Phe -13	-	expression tag
Glu -12	-	expression tag
Lys -11	-	expression tag
Gly -10	-	expression tag
Ala -9	-	expression tag
Val -8	-	expression tag
Thr -7	-	expression tag
Ser -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Lys -3	-	expression tag
Lys -2	-	expression tag
Ala -1	-	expression tag
Gly 0	-	expression tag
Phe 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	90571.6
Non-Polymers*	Number of molecules	25
	Total formula weight	2225.7
All*	Total formula weight	92797.3

*Water molecules are not included.