3OKF

2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (aroB) from Vibrio cholerae

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)	3-dehydroquinate synthase	polymer	390	42424.8	2	UniProt (C3NUY1) Pfam (PF01761) UniProt (by SIFTS) (Q9KNV2)	Vibrio cholerae O1 biovar eltor
2	C, L (A, B)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
3	D, E, F, M (A, B)	PHOSPHATE ION	non-polymer		95.0	4	Chemie (PO4)
4	G, H, I, J, N... (A, B)	CHLORIDE ION	non-polymer		35.5	7	Chemie (CL)
5	K (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
6	Q, R (A, B)	water	water		18.0	167	Chemie (HOH)

Sequence modifications

A, B: 1 - 366 (UniProt: C3NUY1)

PDB	External Database	Details
Met -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
Gly -14	-	expression tag
Val -13	-	expression tag
Asp -12	-	expression tag
Leu -11	-	expression tag
Gly -10	-	expression tag
Thr -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	84849.5
Non-Polymers*	Number of molecules	14
	Total formula weight	1977.9
All*	Total formula weight	86827.4

*Water molecules are not included.