6CFO

HUMAN PYRUVATE DEHYDROGENASE E1 COMPONENT COMPLEX WITH COVALENT TDP ADDUCT ACETYL PHOSPHINATE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004738	molecular_function	pyruvate dehydrogenase activity
A	0004739	molecular_function	pyruvate dehydrogenase (acetyl-transferring) activity
A	0005515	molecular_function	protein binding
A	0005634	cellular_component	nucleus
A	0005730	cellular_component	nucleolus
A	0005739	cellular_component	mitochondrion
A	0005759	cellular_component	mitochondrial matrix
A	0006006	biological_process	glucose metabolic process
A	0006086	biological_process	acetyl-CoA biosynthetic process from pyruvate
A	0006090	biological_process	pyruvate metabolic process
A	0006099	biological_process	tricarboxylic acid cycle
A	0016491	molecular_function	oxidoreductase activity
A	0016624	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor
A	0034604	molecular_function	pyruvate dehydrogenase (NAD+) activity
A	0043231	cellular_component	intracellular membrane-bounded organelle
A	0045254	cellular_component	pyruvate dehydrogenase complex
A	1902494	cellular_component	catalytic complex
B	0003824	molecular_function	catalytic activity
B	0004739	molecular_function	pyruvate dehydrogenase (acetyl-transferring) activity
B	0005515	molecular_function	protein binding
B	0005634	cellular_component	nucleus
B	0005654	cellular_component	nucleoplasm
B	0005739	cellular_component	mitochondrion
B	0005759	cellular_component	mitochondrial matrix
B	0006006	biological_process	glucose metabolic process
B	0006086	biological_process	acetyl-CoA biosynthetic process from pyruvate
B	0006099	biological_process	tricarboxylic acid cycle
B	0016491	molecular_function	oxidoreductase activity
B	0034604	molecular_function	pyruvate dehydrogenase (NAD+) activity
B	0045254	cellular_component	pyruvate dehydrogenase complex
C	0004738	molecular_function	pyruvate dehydrogenase activity
C	0004739	molecular_function	pyruvate dehydrogenase (acetyl-transferring) activity
C	0005515	molecular_function	protein binding
C	0005634	cellular_component	nucleus
C	0005730	cellular_component	nucleolus
C	0005739	cellular_component	mitochondrion
C	0005759	cellular_component	mitochondrial matrix
C	0006006	biological_process	glucose metabolic process
C	0006086	biological_process	acetyl-CoA biosynthetic process from pyruvate
C	0006090	biological_process	pyruvate metabolic process
C	0006099	biological_process	tricarboxylic acid cycle
C	0016491	molecular_function	oxidoreductase activity
C	0016624	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor
C	0034604	molecular_function	pyruvate dehydrogenase (NAD+) activity
C	0043231	cellular_component	intracellular membrane-bounded organelle
C	0045254	cellular_component	pyruvate dehydrogenase complex
C	1902494	cellular_component	catalytic complex
D	0003824	molecular_function	catalytic activity
D	0004739	molecular_function	pyruvate dehydrogenase (acetyl-transferring) activity
D	0005515	molecular_function	protein binding
D	0005634	cellular_component	nucleus
D	0005654	cellular_component	nucleoplasm
D	0005739	cellular_component	mitochondrion
D	0005759	cellular_component	mitochondrial matrix
D	0006006	biological_process	glucose metabolic process
D	0006086	biological_process	acetyl-CoA biosynthetic process from pyruvate
D	0006099	biological_process	tricarboxylic acid cycle
D	0016491	molecular_function	oxidoreductase activity
D	0034604	molecular_function	pyruvate dehydrogenase (NAD+) activity
D	0045254	cellular_component	pyruvate dehydrogenase complex

Functional Information from PDB Data

site_id	AC1
Number of Residues	25
Details	binding site for residue A5X A 401

Chain	Residue
A	PHE61
A	ALA169
A	ASN196
A	TYR198
A	GLY199
A	HIS263
A	MG402
A	HOH509
A	HOH527
A	HOH541
D	GLU28
A	HIS63
D	ILE57
D	GLU59
D	MET81
D	PHE85
D	GLN88
D	HIS128
A	TYR89
A	ARG90
A	GLY136
A	VAL138
A	GLY166
A	ASP167
A	GLY168

---

site_id	AC2
Number of Residues	5
Details	binding site for residue MG A 402

Chain	Residue
A	ASP167
A	ASN196
A	TYR198
A	A5X401
A	HOH527

---

site_id	AC3
Number of Residues	24
Details	binding site for residue A5X C 401

Chain	Residue
B	GLU28
B	ILE57
B	GLU59
B	MET81
B	PHE85
B	GLN88
B	HIS128
C	PHE61
C	HIS63
C	TYR89
C	ARG90
C	GLY136
C	VAL138
C	GLY166
C	ASP167
C	GLY168
C	ALA169
C	ASN196
C	TYR198
C	GLY199
C	HIS263
C	MG402
C	HOH511
C	HOH556

---

site_id	AC4
Number of Residues	5
Details	binding site for residue MG C 402

Chain	Residue
C	ASP167
C	ASN196
C	TYR198
C	A5X401
C	HOH505

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269|PubMed:12651851

Chain	Residue	Details
B	GLU59
D	GLU59
A	LYS284
C	LYS34
C	LYS215
C	LYS284

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	SITE: Important for interaction with DLAT => ECO:0000269|PubMed:20160912

Chain	Residue	Details
B	ASP289
D	ASP289

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	MOD_RES: Phosphotyrosine => ECO:0000250|UniProtKB:Q9D051

Chain	Residue	Details
B	TYR37
D	TYR37
C	LYS248
C	LYS356

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:Q9D051

Chain	Residue	Details
B	LYS324
D	LYS324

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P35486

Chain	Residue	Details
A	SER266
C	SER266

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	MOD_RES: Phosphoserine; by PDK1, PDK2, PDK3 and PDK4 => ECO:0000269|PubMed:11486000, ECO:0000269|PubMed:19081061

Chain	Residue	Details
A	SER271
C	SER271

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	MOD_RES: Phosphotyrosine => ECO:0000250|UniProtKB:P35486

Chain	Residue	Details
A	TYR272
C	TYR272

---

site_id	SWS_FT_FI8
Number of Residues	2
Details	MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861

Chain	Residue	Details
A	LYS292
C	LYS292

---

site_id	SWS_FT_FI9
Number of Residues	2
Details	MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P35486

Chain	Residue	Details
A	LYS307
C	LYS307

---