1AI2

ISOCITRATE DEHYDROGENASE COMPLEXED WITH ISOCITRATE, NADP+, AND CALCIUM (FLASH-COOLED)

Replaces:  1IKB

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	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006097	biological_process	glyoxylate cycle
A	0006099	biological_process	tricarboxylic acid cycle
A	0006979	biological_process	response to oxidative stress
A	0016491	molecular_function	oxidoreductase activity
A	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
A	0022900	biological_process	electron transport chain
A	0046872	molecular_function	metal ion binding
A	0051287	molecular_function	NAD binding
A	0097216	molecular_function	guanosine tetraphosphate binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	21
Details	BINDING SITE FOR RESIDUE NAP A 417

Chain	Residue
A	ILE37
A	THR341
A	ALA342
A	PRO343
A	TYR345
A	VAL351
A	ASN352
A	TYR391
A	ASP392
A	ARG395
A	ICA418
A	LYS58
A	HOH470
A	HOH491
A	LYS100
A	LEU103
A	THR104
A	ALA337
A	THR338
A	HIS339
A	GLY340

---

site_id	AC2
Number of Residues	14
Details	BINDING SITE FOR RESIDUE ICA A 418

Chain	Residue
A	SER113
A	ASN115
A	ARG119
A	ARG129
A	ARG153
A	TYR160
A	LYS230
A	ILE233
A	ASP283
A	ASP307
A	ASP311
A	NAP417
A	HOH458
A	HOH459

---

Functional Information from PROSITE/UniProt

site_id	PS00470
Number of Residues	20
Details	IDH_IMDH Isocitrate and isopropylmalate dehydrogenases signature. NLNGDYiSDalAaqv.GGIGI

Chain	Residue	Details
A	ASN303-ILE322

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11284679","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"2682654","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"7761851","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1AI2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HJ6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IDE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4AJ3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4AJR","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10623532","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"2204109","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1AI3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1CW1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1CW7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P8F","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1PB1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4AJ3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4AJA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4AJB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4AJS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4BNP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5ICD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"8ICD","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10623532","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"2204109","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1AI3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1CW7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P8F","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1PB1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4AJ3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4AJA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4AJB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4AJS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4BNP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5ICD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"8ICD","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10623532","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1CW1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1CW4","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11284679","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"2682654","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"7761851","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1AI2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1BL5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HJ6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IDE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ISO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4AJ3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4AJR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"9ICD","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11284679","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"2682654","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"7761851","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1AI2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1BL5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HJ6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IDE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4AJ3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4AJR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"9ICD","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11284679","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"2682654","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"7761851","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1AI2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"9ICD","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	2
Details	Site: {"description":"Critical for catalysis","evidences":[{"source":"PubMed","id":"7761851","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"7819221","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	2
Details	Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"PubMed","id":"21151122","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI10
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"2204109","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"3112144","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI11
Number of Residues	1
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"18723842","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	1
Details	Annotated By Reference To The Literature 1a05

Chain	Residue	Details
A	TYR160

---

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1a05

Chain	Residue	Details
A	ASP283
A	LYS230

---

site_id	MCSA1
Number of Residues	4
Details	M-CSA 7

Chain	Residue	Details
A	TYR160	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor, proton relay
A	LYS230	electrostatic stabiliser, proton acceptor, proton donor, proton relay
A	ASP283	electrostatic stabiliser, proton acceptor, proton donor
A	ASP307	metal ligand

---