2HK9

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

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004764	molecular_function	shikimate 3-dehydrogenase (NADP+) activity
A	0005829	cellular_component	cytosol
A	0008652	biological_process	amino acid biosynthetic process
A	0009073	biological_process	aromatic amino acid family biosynthetic process
A	0009423	biological_process	chorismate biosynthetic process
A	0016491	molecular_function	oxidoreductase activity
A	0019632	biological_process	shikimate metabolic process
A	0050661	molecular_function	NADP binding
B	0004764	molecular_function	shikimate 3-dehydrogenase (NADP+) activity
B	0005829	cellular_component	cytosol
B	0008652	biological_process	amino acid biosynthetic process
B	0009073	biological_process	aromatic amino acid family biosynthetic process
B	0009423	biological_process	chorismate biosynthetic process
B	0016491	molecular_function	oxidoreductase activity
B	0019632	biological_process	shikimate metabolic process
B	0050661	molecular_function	NADP binding
C	0004764	molecular_function	shikimate 3-dehydrogenase (NADP+) activity
C	0005829	cellular_component	cytosol
C	0008652	biological_process	amino acid biosynthetic process
C	0009073	biological_process	aromatic amino acid family biosynthetic process
C	0009423	biological_process	chorismate biosynthetic process
C	0016491	molecular_function	oxidoreductase activity
C	0019632	biological_process	shikimate metabolic process
C	0050661	molecular_function	NADP binding
D	0004764	molecular_function	shikimate 3-dehydrogenase (NADP+) activity
D	0005829	cellular_component	cytosol
D	0008652	biological_process	amino acid biosynthetic process
D	0009073	biological_process	aromatic amino acid family biosynthetic process
D	0009423	biological_process	chorismate biosynthetic process
D	0016491	molecular_function	oxidoreductase activity
D	0019632	biological_process	shikimate metabolic process
D	0050661	molecular_function	NADP binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	15
Details	BINDING SITE FOR RESIDUE ATR A 1101

Chain	Residue
A	VAL67
A	THR187
A	THR188
A	SER189
A	VAL190
A	HOH1123
A	HOH1147
A	ALA131
A	GLY132
A	GLY133
A	ALA134
A	ASN153
A	ARG154
A	THR155
A	LYS158

---

site_id	AC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SKM A 1102

Chain	Residue
A	SER19
A	SER21
A	ASN64
A	THR66
A	LYS70
A	ASN91
A	ASP106
A	TYR216
A	LEU239
A	GLN242

---

site_id	AC3
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NAP B 1201

Chain	Residue
B	VAL67
B	LYS70
B	ASP106
B	GLY130
B	ALA131
B	GLY132
B	GLY133
B	ALA134
B	ASN153
B	ARG154
B	THR155
B	LYS158
B	THR187
B	THR188
B	SER189
B	VAL190
B	LEU192
B	ILE214
B	GLY235
B	MET238
B	LEU239
B	GLN242
B	SKM1202
B	HOH1239
B	HOH1245

---

site_id	AC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SKM B 1202

Chain	Residue
B	SER19
B	SER21
B	ASN64
B	THR66
B	LYS70
B	ASN91
B	ASP106
B	TYR216
B	LEU239
B	GLN242
B	NAP1201

---

site_id	AC5
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NAP C 1301

Chain	Residue
C	VAL67
C	LYS70
C	ASP106
C	GLY130
C	ALA131
C	GLY132
C	GLY133
C	ALA134
C	ASN153
C	ARG154
C	THR155
C	LYS158
C	THR187
C	THR188
C	SER189
C	VAL190
C	ILE214
C	GLY235
C	MET238
C	LEU239
C	SKM1302
C	HOH1341
C	HOH1348
C	HOH1350
C	HOH1351

---

site_id	AC6
Number of Residues	12
Details	BINDING SITE FOR RESIDUE SKM C 1302

Chain	Residue
C	SER19
C	SER21
C	ASN64
C	THR66
C	LYS70
C	ASN91
C	ASP106
C	TYR216
C	LEU239
C	GLN242
C	NAP1301
C	HOH1341

---

site_id	AC7
Number of Residues	27
Details	BINDING SITE FOR RESIDUE NAP D 1401

Chain	Residue
D	VAL67
D	LYS70
D	ASP106
D	GLY130
D	ALA131
D	GLY132
D	GLY133
D	ALA134
D	ASN153
D	ARG154
D	THR155
D	LYS158
D	THR187
D	THR188
D	SER189
D	VAL190
D	ILE214
D	GLY235
D	MET238
D	LEU239
D	SKM1402
D	HOH1438
D	HOH1441
D	HOH1442
D	HOH1443
D	HOH1447
A	ASP82

---

site_id	AC8
Number of Residues	12
Details	BINDING SITE FOR RESIDUE SKM D 1402

Chain	Residue
D	SER19
D	SER21
D	ASN64
D	THR66
D	LYS70
D	ASN91
D	ASP106
D	TYR216
D	LEU239
D	GLN242
D	NAP1401
D	HOH1442

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"HAMAP-Rule","id":"MF_00222","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"17649975","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	52
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00222","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"17649975","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00222","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	20
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00222","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"17649975","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

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

Chain	Residue	Details
A	ASN97

---

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

Chain	Residue	Details
B	ASN97

---

site_id	CSA3
Number of Residues	1
Details	Annotated By Reference To The Literature 1nvt

Chain	Residue	Details
C	ASN97

---

site_id	CSA4
Number of Residues	1
Details	Annotated By Reference To The Literature 1nvt

Chain	Residue	Details
D	ASN97

---