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	Shikimate dehydrogenase	polymer	275	30942.0	4	UniProt (O67049) Pfam (PF08501) Pfam (PF01488) Pfam (PF18317) In PDB	Aquifex aeolicus
2	A	2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE	non-polymer		507.2	1	Chemie (ATR)
3	A, B, C, D	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID	non-polymer		174.2	4	Chemie (SKM)
4	B, C, D	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	3	Chemie (NAP)
5		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.