2GPT

Crystal structure of Arabidopsis Dehydroquinate dehydratase-shikimate dehydrogenase in complex with tartrate and shikimate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003855	molecular_function	3-dehydroquinate dehydratase activity
A	0004764	molecular_function	shikimate 3-dehydrogenase (NADP+) activity
A	0019632	biological_process	shikimate metabolic process
A	0050661	molecular_function	NADP binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SO4 A 1402

Chain	Residue
A	ILE382
A	HOH5125
A	PRO383
A	HIS384
A	LYS385
A	GLU386
A	GLY462
A	GLY463
A	HOH5062
A	HOH5081

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 1403

Chain	Residue
A	TRP158
A	PRO332
A	PRO527
A	HOH4996

---

site_id	AC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE TLA A 4988

Chain	Residue
A	ARG155
A	HIS214
A	LYS241
A	MET271
A	ARG279
A	ALA301
A	GLN304
A	HOH5038
A	HOH5066
A	HOH5075
A	HOH5210

---

site_id	AC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE SKM A 4733

Chain	Residue
A	ILE328
A	SER336
A	SER338
A	SER379
A	THR381
A	LYS385
A	ASN406
A	ASP423
A	TYR550
A	GLN578
A	GLN582
A	HOH5028

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	217
Details	Region: {"description":"3-dehydroquinate dehydratase"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"Proton acceptor; for 3-dehydroquinate dehydratase activity","evidences":[{"source":"PubMed","id":"16784230","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Active site: {"description":"Schiff-base intermediate with substrate; for 3-dehydroquinate dehydratase activity","evidences":[{"source":"PubMed","id":"16784230","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Active site: {"description":"For shikimate dehydrogenase activity","evidences":[{"source":"PubMed","id":"16784230","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	7
Details	Binding site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"journal article","publicationDate":"2007","firstPage":"2153","lastPage":"2160","volume":"7","journal":"Cryst. Growth Des.","title":"The DHQ-dehydroshikimate-SDH-shikimate-NADP(H) complex: Insights into metabolite transfer in the shikimate pathway.","authors":["Singh S.A.","Christendat D."],"citationCrossReferences":[{"database":"DOI","id":"10.1021/cg7007107"}]}},{"source":"PDB","id":"2O7Q","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	9
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16784230","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2GPT","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	9
Details	Binding site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"journal article","publicationDate":"2007","firstPage":"2153","lastPage":"2160","volume":"7","journal":"Cryst. Growth Des.","title":"The DHQ-dehydroshikimate-SDH-shikimate-NADP(H) complex: Insights into metabolite transfer in the shikimate pathway.","authors":["Singh S.A.","Christendat D."],"citationCrossReferences":[{"database":"DOI","id":"10.1021/cg7007107"}]}},{"source":"PDB","id":"2O7S","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1qfe

Chain	Residue	Details
A	LYS241
A	HIS214
A	GLU159

---

site_id	CSA2
Number of Residues	1
Details	Annotated By Reference To The Literature 1qfe

Chain	Residue	Details
A	ASP414

---