4FSH

Crystal Structure of Shikimate Dehydrogenase (aroE) Clinical Variant v2356 from Helicobacter pylori in Complex with Shikimate

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)	Shikimate dehydrogenase	polymer	271	30337.3	2	UniProt (P56119) Pfam (PF08501)	Helicobacter pylori
2	C (A)	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID	non-polymer		174.2	1	Chemie (SKM) PubChem (16758061) PubChem (1094) PubChem (8742) PubChem (21626190) PubChem (40970370) PubChem (42626655) PubChem (24202011) PubChem (49867941) PubChem (59081897) PubChem (69027491) PubChem (7076075) PubChem (10986763) PubChem (11332752) PubChem (11789701) PubChem (12315498) PubChem (12315501)
3	D, E (A, B)	water	water		18.0	41	Chemie (HOH)

Sequence modifications

A, B: 1 - 263 (UniProt: P56119)

PDB	External Database	Details
Lys 32	Glu 32	conflict
Gly 34	Arg 34	conflict
Arg 40	His 40	conflict
Asn 52	Ser 52	conflict
Ala 87	Gly 87	conflict
Ser 88	Ala 88	conflict
Ile 89	Val 89	conflict
His 115	Gln 115	conflict
Gln 116	Lys 116	conflict
Ser 126	Ala 126	conflict
Gly 136	Glu 136	conflict
Lys 143	Gln 143	conflict
Pro 151	Ser 151	conflict
Asn 185	His 185	conflict
Ala 202	Gly 202	conflict
Ala 218	Ser 218	conflict
Ile 225	Thr 225	conflict
Ser 239	Ala 239	conflict
Leu 264	-	expression tag
Glu 265	-	expression tag
His 266	-	expression tag
His 267	-	expression tag
His 268	-	expression tag
His 269	-	expression tag
His 270	-	expression tag
His 271	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	60674.6
Non-Polymers*	Number of molecules	1
	Total formula weight	174.2
All*	Total formula weight	60848.8

*Water molecules are not included.