5KVU

Crystal structure of isocitrate dehydrogenase-2 in complex with NADP(+) from Mycobacterium tuberculosis

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0004450	molecular_function	isocitrate dehydrogenase (NADP+) activity
A	0005576	cellular_component	extracellular region
A	0005829	cellular_component	cytosol
A	0005886	cellular_component	plasma membrane
A	0006097	biological_process	glyoxylate cycle
A	0006099	biological_process	tricarboxylic acid cycle
A	0006102	biological_process	isocitrate metabolic process
A	0009274	cellular_component	peptidoglycan-based cell wall
A	0016491	molecular_function	oxidoreductase activity
A	0042803	molecular_function	protein homodimerization activity
A	0046872	molecular_function	metal ion binding
B	0000287	molecular_function	magnesium ion binding
B	0004450	molecular_function	isocitrate dehydrogenase (NADP+) activity
B	0005576	cellular_component	extracellular region
B	0005829	cellular_component	cytosol
B	0005886	cellular_component	plasma membrane
B	0006097	biological_process	glyoxylate cycle
B	0006099	biological_process	tricarboxylic acid cycle
B	0006102	biological_process	isocitrate metabolic process
B	0009274	cellular_component	peptidoglycan-based cell wall
B	0016491	molecular_function	oxidoreductase activity
B	0042803	molecular_function	protein homodimerization activity
B	0046872	molecular_function	metal ion binding
C	0000287	molecular_function	magnesium ion binding
C	0004450	molecular_function	isocitrate dehydrogenase (NADP+) activity
C	0005576	cellular_component	extracellular region
C	0005829	cellular_component	cytosol
C	0005886	cellular_component	plasma membrane
C	0006097	biological_process	glyoxylate cycle
C	0006099	biological_process	tricarboxylic acid cycle
C	0006102	biological_process	isocitrate metabolic process
C	0009274	cellular_component	peptidoglycan-based cell wall
C	0016491	molecular_function	oxidoreductase activity
C	0042803	molecular_function	protein homodimerization activity
C	0046872	molecular_function	metal ion binding
D	0000287	molecular_function	magnesium ion binding
D	0004450	molecular_function	isocitrate dehydrogenase (NADP+) activity
D	0005576	cellular_component	extracellular region
D	0005829	cellular_component	cytosol
D	0005886	cellular_component	plasma membrane
D	0006097	biological_process	glyoxylate cycle
D	0006099	biological_process	tricarboxylic acid cycle
D	0006102	biological_process	isocitrate metabolic process
D	0009274	cellular_component	peptidoglycan-based cell wall
D	0016491	molecular_function	oxidoreductase activity
D	0042803	molecular_function	protein homodimerization activity
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	25
Details	binding site for residue NAP A 801

Chain	Residue
A	LYS84
A	ALA566
A	GLY586
A	GLY587
A	SER588
A	ALA589
A	PRO590
A	HIS592
A	ARG603
A	TRP604
A	ASP605
A	PRO86
A	ARG652
A	MLT802
A	HOH935
A	HOH943
A	HOH954
A	HOH978
A	ASN87
A	SER89
A	ASN137
A	ARG141
A	ILE350
A	ALA353
A	THR564

---

site_id	AC2
Number of Residues	8
Details	binding site for residue MLT A 802

Chain	Residue
A	SER89
A	SER134
A	ASN137
A	ARG141
A	TYR422
A	ARG550
A	ASP551
A	NAP801

---

site_id	AC3
Number of Residues	3
Details	binding site for residue EDO A 803

Chain	Residue
A	ARG526
A	ARG529
A	GLU533

---

site_id	AC4
Number of Residues	22
Details	binding site for residue NAP B 801

Chain	Residue
B	LYS84
B	PRO86
B	ASN87
B	SER89
B	ASN137
B	ILE350
B	ALA353
B	THR564
B	ALA566
B	GLY586
B	GLY587
B	SER588
B	ALA589
B	PRO590
B	HIS592
B	ARG603
B	TRP604
B	ASP605
B	ARG652
B	MLA802
B	HOH904
B	HOH949

---

site_id	AC5
Number of Residues	9
Details	binding site for residue MLA B 802

Chain	Residue
B	SER89
B	SER134
B	ASN137
B	ARG141
B	LYS257
B	TYR422
B	ARG550
B	ASP551
B	NAP801

---

site_id	AC6
Number of Residues	3
Details	binding site for residue EDO B 803

Chain	Residue
B	ILE502
B	LYS506
B	ILE521

---

site_id	AC7
Number of Residues	4
Details	binding site for residue EDO B 804

Chain	Residue
B	MET522
B	SER523
B	ARG526
B	HOH905

---

site_id	AC8
Number of Residues	26
Details	binding site for residue NAP C 801

Chain	Residue
C	HOH961
C	LYS84
C	PRO86
C	ASN87
C	ILE88
C	SER89
C	ASN137
C	ARG141
C	ILE350
C	ALA353
C	THR564
C	ALA566
C	GLY586
C	GLY587
C	SER588
C	ALA589
C	PRO590
C	HIS592
C	ARG603
C	TRP604
C	ASP605
C	SIN802
C	HOH918
C	HOH931
C	HOH940
C	HOH958

---

site_id	AC9
Number of Residues	8
Details	binding site for residue SIN C 802

Chain	Residue
C	SER89
C	ASN137
C	ARG141
C	LYS257
C	TYR422
C	ARG550
C	ASP551
C	NAP801

---

site_id	AD1
Number of Residues	6
Details	binding site for residue GOL C 803

Chain	Residue
C	VAL334
C	ASP335
C	SER336
C	TYR366
C	LYS591
C	HOH930

---

site_id	AD2
Number of Residues	3
Details	binding site for residue EDO C 804

Chain	Residue
C	GLY484
C	MET485
C	ASP540

---

site_id	AD3
Number of Residues	5
Details	binding site for residue EDO C 805

Chain	Residue
C	THR191
C	GLU500
C	LYS503
C	LYS504
C	THR507

---

site_id	AD4
Number of Residues	30
Details	binding site for residue NAP D 801

Chain	Residue
D	LYS84
D	PRO86
D	ASN87
D	ILE88
D	SER89
D	ASN137
D	ARG141
D	ILE350
D	ALA353
D	THR564
D	ALA566
D	GLY586
D	GLY587
D	SER588
D	ALA589
D	PRO590
D	LYS591
D	HIS592
D	ARG603
D	TRP604
D	ASP605
D	ARG652
D	MLA802
D	EDO804
D	HOH919
D	HOH920
D	HOH928
D	HOH938
D	HOH943
D	HOH958

---

site_id	AD5
Number of Residues	9
Details	binding site for residue MLA D 802

Chain	Residue
D	SER89
D	SER134
D	ASN137
D	ARG141
D	LYS257
D	TYR422
D	ARG550
D	ASP551
D	NAP801

---

site_id	AD6
Number of Residues	3
Details	binding site for residue GOL D 803

Chain	Residue
D	VAL334
D	SER336
D	TYR366

---

site_id	AD7
Number of Residues	6
Details	binding site for residue EDO D 804

Chain	Residue
D	ILE559
D	GLY563
D	THR564
D	SER565
D	NAP801
D	HOH943

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	36
Details	Binding site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUL-2016","submissionDatabase":"PDB data bank","title":"Structural and kinetic characterization of isocitrate dehydrogenase-2 from Mycobacterium tuberculosis.","authors":["Sacchettini J.C.","Cheng Y.S."]}},{"source":"PDB","id":"5KVU","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	24
Details	Binding site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000305","citation":{"citationType":"submission","publicationDate":"JUL-2016","submissionDatabase":"PDB data bank","title":"Structural and kinetic characterization of isocitrate dehydrogenase-2 from Mycobacterium tuberculosis.","authors":["Sacchettini J.C.","Cheng Y.S."]}},{"source":"PDB","id":"5KVU","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"P16100","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"P50216","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

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