5UCR

Crystal Structure of a Pantoate-beta-alanine Ligase from Neisseria gonorrhoeae with bound AMPPNP and Alanine

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)	Pantothenate synthetase	polymer	285	31916.3	2	UniProt (B4RKE7) Pfam (PF02569)	Neisseria gonorrhoeae	PS,Pantoate--beta-alanine ligase,Pantoate-activating enzyme
2	C, F (A, B)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	2	Chemie (ANP)
3	D, G, H (A, B)	ALANINE	non-polymer		89.1	3	Chemie (ALA)
4	E (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5	I, J (A, B)	water	water		18.0	168	Chemie (HOH)

Sequence modifications

A, B: 21 - 278 (UniProt: B4RKE7)

PDB	External Database	Details
Ala -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Met 1	-	expression tag
Gln 2	-	expression tag
Ile 3	-	expression tag
Ile 4	-	expression tag
His 5	-	expression tag
Thr 6	-	expression tag
Ile 7	-	expression tag
Arg 8	-	expression tag
Glu 9	-	expression tag
Leu 10	-	expression tag
Arg 11	-	expression tag
Thr 12	-	expression tag
Trp 13	-	expression tag
Arg 14	-	expression tag
Glu 15	-	expression tag
Asn 16	-	expression tag
Thr 17	-	expression tag
Gly 18	-	expression tag
Lys 19	-	expression tag
Val 20	-	expression tag
Gly 213	Ala 194	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	63832.5
Non-Polymers*	Number of molecules	6
	Total formula weight	1304.0
All*	Total formula weight	65136.5

*Water molecules are not included.