1W88

The crystal structure of pyruvate dehydrogenase E1(D180N,E183Q) bound to the peripheral subunit binding domain of E2

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004739	molecular_function	pyruvate dehydrogenase (acetyl-transferring) activity
A	0005515	molecular_function	protein binding
A	0009083	biological_process	branched-chain amino acid catabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0016624	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor
B	0004739	molecular_function	pyruvate dehydrogenase (acetyl-transferring) activity
B	0005515	molecular_function	protein binding
B	0016491	molecular_function	oxidoreductase activity
C	0004739	molecular_function	pyruvate dehydrogenase (acetyl-transferring) activity
C	0005515	molecular_function	protein binding
C	0009083	biological_process	branched-chain amino acid catabolic process
C	0016491	molecular_function	oxidoreductase activity
C	0016624	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor
D	0004739	molecular_function	pyruvate dehydrogenase (acetyl-transferring) activity
D	0005515	molecular_function	protein binding
D	0016491	molecular_function	oxidoreductase activity
E	0004739	molecular_function	pyruvate dehydrogenase (acetyl-transferring) activity
E	0005515	molecular_function	protein binding
E	0009083	biological_process	branched-chain amino acid catabolic process
E	0016491	molecular_function	oxidoreductase activity
E	0016624	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor
F	0004739	molecular_function	pyruvate dehydrogenase (acetyl-transferring) activity
F	0005515	molecular_function	protein binding
F	0016491	molecular_function	oxidoreductase activity
G	0004739	molecular_function	pyruvate dehydrogenase (acetyl-transferring) activity
G	0005515	molecular_function	protein binding
G	0009083	biological_process	branched-chain amino acid catabolic process
G	0016491	molecular_function	oxidoreductase activity
G	0016624	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor
H	0004739	molecular_function	pyruvate dehydrogenase (acetyl-transferring) activity
H	0005515	molecular_function	protein binding
H	0016491	molecular_function	oxidoreductase activity
I	0016746	molecular_function	acyltransferase activity
J	0016746	molecular_function	acyltransferase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG A1368

Chain	Residue
A	ASP173
A	ASN202
A	PHE204
A	TPP1370

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG C1368

Chain	Residue
C	ASP173
C	ASN202
C	PHE204
C	TPP1370
C	HOH2095

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG E1368

Chain	Residue
E	ASP173
E	GLN200
E	ASN202
E	TPP1370

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG G1368

Chain	Residue
G	ASP173
G	ASN202
G	TPP1370

---

site_id	AC5
Number of Residues	20
Details	BINDING SITE FOR RESIDUE TDP A1370

Chain	Residue
A	TYR102
A	ARG103
A	ILE142
A	ILE144
A	GLY172
A	ASP173
A	GLY174
A	GLY175
A	GLN178
A	ASN202
A	PHE204
A	ALA205
A	ILE206
A	MG1368
A	HOH2096
D	GLU28
D	LEU57
D	GLU59
D	GLN81
D	PHE85

---

site_id	AC6
Number of Residues	23
Details	BINDING SITE FOR RESIDUE TDP C1370

Chain	Residue
B	GLU28
B	LEU57
B	GLU59
B	GLN81
B	PHE85
C	TYR102
C	ARG103
C	ILE142
C	ILE144
C	GLY172
C	ASP173
C	GLY174
C	GLY175
C	GLN178
C	ASN202
C	PHE204
C	ALA205
C	ILE206
C	ARG267
C	MG1368
C	HOH2095
C	HOH2167
C	HOH2168

---

site_id	AC7
Number of Residues	12
Details	BINDING SITE FOR RESIDUE TDP E1370

Chain	Residue
E	TYR102
E	ARG103
E	ILE144
E	GLY172
E	ASP173
E	GLY174
E	GLY175
E	ASN202
E	MG1368
H	GLU28
H	GLU59
H	PHE85

---

site_id	AC8
Number of Residues	12
Details	BINDING SITE FOR RESIDUE TDP G1370

Chain	Residue
F	GLU28
G	TYR102
G	ARG103
G	ILE142
G	ILE143
G	ILE144
G	GLY172
G	ASP173
G	GLY174
G	GLY175
G	ASN202
G	MG1368

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Binding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	74
Details	Domain: {"description":"Peripheral subunit-binding (PSBD)","evidences":[{"source":"PROSITE-ProRule","id":"PRU01170","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

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

Chain	Residue	Details
F	GLU59

---

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

Chain	Residue	Details
H	GLU59

---

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

Chain	Residue	Details
B	GLU59

---

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

Chain	Residue	Details
D	GLU59

---

site_id	CSA5
Number of Residues	2
Details	Annotated By Reference To The Literature 1dtw

Chain	Residue	Details
F	GLU59
F	HIS128

---

site_id	CSA6
Number of Residues	2
Details	Annotated By Reference To The Literature 1dtw

Chain	Residue	Details
B	GLU59
B	HIS128

---

site_id	CSA7
Number of Residues	2
Details	Annotated By Reference To The Literature 1dtw

Chain	Residue	Details
D	GLU59
D	HIS128

---

site_id	MCSA1
Number of Residues	2
Details	M-CSA 106

Chain	Residue	Details
B	GLU59	proton acceptor, proton donor
B	HIS128	proton acceptor, proton donor

---

site_id	MCSA2
Number of Residues	2
Details	M-CSA 106

Chain	Residue	Details
D	GLU59	proton acceptor, proton donor
D	HIS128	proton acceptor, proton donor

---

site_id	MCSA3
Number of Residues	2
Details	M-CSA 106

Chain	Residue	Details
F	GLU59	proton acceptor, proton donor
F	HIS128	proton acceptor, proton donor

---

site_id	MCSA4
Number of Residues	1
Details	M-CSA 106

Chain	Residue	Details
H	GLU59	proton acceptor, proton donor

---