Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1W85

The crystal structure of pyruvate dehydrogenase E1 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	6
Details	BINDING SITE FOR RESIDUE K B1325

Chain	Residue
B	HOH2069
B	ILE112
B	THR113
B	ALA160
B	ASP163
B	ASP165

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG B1326

Chain	Residue
A	HOH2131
B	HOH2045
B	HOH2046
C	HOH2169
C	HOH2170
D	HOH2071

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG C1368

Chain	Residue
C	ASP173
C	ASN202
C	PHE204
C	TPP1370
C	HOH2173

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K D1325

Chain	Residue
D	ILE112
D	THR113
D	ALA160
D	ASP163
D	ASP165
D	HOH2087

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG E1368

Chain	Residue
E	ASP173
E	ASN202
E	TPP1370
E	HOH2079
E	HOH2087

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K F1325

Chain	Residue
F	ILE112
F	THR113
F	ALA160
F	ASP163
F	ASP165
F	HOH2060

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG F1326

Chain	Residue
E	HOH2083
E	HOH2084
F	HOH2045
G	HOH2125
G	HOH2127
H	HOH2057

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG G1368

Chain	Residue
G	ASP173
G	ASN202
G	PHE204
G	TPP1370
G	HOH2131

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K H1325

Chain	Residue
H	ILE112
H	THR113
H	ALA160
H	ASP163
H	ASP165
H	HOH2072

site_id	BC2
Number of Residues	25
Details	BINDING SITE FOR RESIDUE TDP A1370

Chain	Residue
A	TYR102
A	ARG103
A	ILE142
A	ILE143
A	ILE144
A	GLY172
A	ASP173
A	GLY174
A	GLY175
A	GLN178
A	ASN202
A	PHE204
A	ALA205
A	ILE206
A	HIS271
A	MG1368
A	HOH2163
A	HOH2222
A	HOH2223
A	HOH2224
D	GLU28
D	LEU57
D	GLU59
D	GLN81
D	PHE85

site_id	BC3
Number of Residues	26
Details	BINDING SITE FOR RESIDUE TDP C1370

Chain	Residue
C	HIS271
C	MG1368
C	HOH2173
C	HOH2279
C	HOH2280
C	HOH2281
C	HOH2282
B	GLU28
B	LEU57
B	GLU59
B	GLN81
B	PHE85
C	TYR102
C	ARG103
C	ILE142
C	ILE143
C	ILE144
C	GLY172
C	ASP173
C	GLY174
C	GLY175
C	GLN178
C	ASN202
C	PHE204
C	ALA205
C	ILE206

site_id	BC4
Number of Residues	20
Details	BINDING SITE FOR RESIDUE TDP E1370

Chain	Residue
E	TYR102
E	ARG103
E	ILE142
E	ILE144
E	GLY172
E	ASP173
E	GLY174
E	GLY175
E	GLN178
E	ASN202
E	HIS271
E	MG1368
E	HOH2087
E	HOH2136
E	HOH2137
H	GLU28
H	LEU57
H	GLU59
H	GLN81
H	PHE85

site_id	BC5
Number of Residues	25
Details	BINDING SITE FOR RESIDUE TDP G1370

Chain	Residue
F	GLU28
F	LEU57
F	GLU59
F	GLN81
F	PHE85
G	TYR102
G	ARG103
G	ILE142
G	ILE144
G	GLY172
G	ASP173
G	GLY174
G	GLY175
G	GLN178
G	ASN202
G	PHE204
G	ALA205
G	ILE206
G	HIS271
G	MG1368
G	HOH2131
G	HOH2231
G	HOH2232
G	HOH2233
G	HOH2234

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PEG A1369

Chain	Residue
A	MET160
A	PHE191
B	GLU49

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PEG C1369

Chain	Residue
C	MET160
C	PHE191
C	HOH2152
D	GLU49

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PEG G1369

Chain	Residue
G	ILE109
G	TRP110
G	GLU324

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	37
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	3
Details	Annotated By Reference To The Literature 1dtw

Chain	Residue	Details
C	HIS271
B	GLU59
B	HIS128

site_id	CSA2
Number of Residues	3
Details	Annotated By Reference To The Literature 1dtw

Chain	Residue	Details
A	HIS271
D	GLU59
D	HIS128

site_id	CSA3
Number of Residues	3
Details	Annotated By Reference To The Literature 1dtw

Chain	Residue	Details
F	GLU59
F	HIS128
G	HIS271

site_id	CSA4
Number of Residues	3
Details	Annotated By Reference To The Literature 1dtw

Chain	Residue	Details
H	GLU59
H	HIS128
E	HIS271

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
C	TYR281	electrostatic stabiliser, hydrogen bond 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	2
Details	M-CSA 106

Chain	Residue	Details
H	GLU59	proton acceptor, proton donor
H	HIS128	proton acceptor, proton donor
G	TYR281	electrostatic stabiliser, hydrogen bond donor

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)