2ZDY

Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0004672	molecular_function	protein kinase activity
A	0004740	molecular_function	pyruvate dehydrogenase (acetyl-transferring) kinase activity
A	0005515	molecular_function	protein binding
A	0005524	molecular_function	ATP binding
A	0005739	cellular_component	mitochondrion
A	0005759	cellular_component	mitochondrial matrix
A	0006885	biological_process	regulation of pH
A	0008286	biological_process	insulin receptor signaling pathway
A	0009267	biological_process	cellular response to starvation
A	0010510	biological_process	regulation of pyruvate decarboxylation to acetyl-CoA
A	0010565	biological_process	regulation of ketone metabolic process
A	0010906	biological_process	regulation of glucose metabolic process
A	0016301	molecular_function	kinase activity
A	0016740	molecular_function	transferase activity
A	0033554	biological_process	cellular response to stress
A	0042304	biological_process	regulation of fatty acid biosynthetic process
A	0042593	biological_process	glucose homeostasis
A	0042594	biological_process	response to starvation
A	0045124	biological_process	regulation of bone resorption
A	0046320	biological_process	regulation of fatty acid oxidation
A	0071398	biological_process	cellular response to fatty acid
B	0000166	molecular_function	nucleotide binding
B	0004672	molecular_function	protein kinase activity
B	0004740	molecular_function	pyruvate dehydrogenase (acetyl-transferring) kinase activity
B	0005515	molecular_function	protein binding
B	0005524	molecular_function	ATP binding
B	0005739	cellular_component	mitochondrion
B	0005759	cellular_component	mitochondrial matrix
B	0006885	biological_process	regulation of pH
B	0008286	biological_process	insulin receptor signaling pathway
B	0009267	biological_process	cellular response to starvation
B	0010510	biological_process	regulation of pyruvate decarboxylation to acetyl-CoA
B	0010565	biological_process	regulation of ketone metabolic process
B	0010906	biological_process	regulation of glucose metabolic process
B	0016301	molecular_function	kinase activity
B	0016740	molecular_function	transferase activity
B	0033554	biological_process	cellular response to stress
B	0042304	biological_process	regulation of fatty acid biosynthetic process
B	0042593	biological_process	glucose homeostasis
B	0042594	biological_process	response to starvation
B	0045124	biological_process	regulation of bone resorption
B	0046320	biological_process	regulation of fatty acid oxidation
B	0071398	biological_process	cellular response to fatty acid

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG A 500

Chain	Residue
A	GLU254
A	ASN258
A	ADP501
A	HOH676

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site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG B1500

Chain	Residue
B	GLU254
B	ASN258
B	ADP1501

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site_id	AC3
Number of Residues	19
Details	BINDING SITE FOR RESIDUE ADP A 501

Chain	Residue
A	ALA262
A	ASP293
A	VAL298
A	LEU306
A	SER312
A	THR313
A	ALA328
A	GLY329
A	PHE330
A	GLY331
A	GLY333
A	LEU334
A	THR358
A	MG500
A	HOH602
A	HOH604
A	HOH676
A	ASN258
A	ARG261

---

site_id	AC4
Number of Residues	17
Details	BINDING SITE FOR RESIDUE ADP B1501

Chain	Residue
B	ASN258
B	ARG261
B	ALA262
B	ASP293
B	VAL298
B	LEU306
B	SER312
B	THR313
B	GLY329
B	PHE330
B	GLY331
B	GLY333
B	LEU334
B	THR358
B	MG1500
B	HOH1503
B	HOH1510

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EPE A 600

Chain	Residue
A	ASP160
A	ARG338
A	LYS342
A	LYS374
B	TRP395

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	28
Details	Binding site: {"evidences":[{"source":"PubMed","id":"18658136","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	5
Details	Site: {"description":"Interaction with the other subunit in the homodimer"}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1jm6

Chain	Residue	Details
A	GLU254
A	HIS250

---

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1jm6

Chain	Residue	Details
B	GLU254
B	HIS250

---