2HK9

Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Shikimate dehydrogenase	polymer	275	30942.0	4	UniProt (O67049) Pfam (PF08501) Pfam (PF01488) Pfam (PF18317)	Aquifex aeolicus
2	E (A)	2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE	non-polymer		507.2	1	Chemie (ATR) PubChem (46936366) PubChem (1813) PubChem (165230) PubChem (15942680)
3	F, H, J, L (A, B, C, D)	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID	non-polymer		174.2	4	Chemie (SKM) PubChem (1094) PubChem (8742) PubChem (7076075) PubChem (10986763) PubChem (11332752) PubChem (11789701) PubChem (12315498) PubChem (12315501) PubChem (16758061) PubChem (21626190) PubChem (40970370) PubChem (42626655) PubChem (24202011) PubChem (49867941) PubChem (59081897) PubChem (69027491)
4	G, I, K (B, C, D)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	3	Chemie (NAP) PubChem (5885) PubChem (46936685) PubChem (4412) PubChem (90473931) PubChem (91972139) PubChem (145946263) PubChem (153311489) PubChem (174001641) PubChem (71717786) PubChem (165382010)
5	M, N, O, P (A, B, C, D)	water	water		18.0	204	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 269 (UniProt: O67049)

PDB	External Database	Details
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Glu 195	Lys 195	SEE REMARK 999
Leu 233	Phe 233	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	123768.1
Non-Polymers*	Number of molecules	8
	Total formula weight	3434.0
All*	Total formula weight	127202.1

*Water molecules are not included.