Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3DVA

Snapshots of catalysis in the E1 subunit of the pyruvate dehydrogenase multi-enzyme complex

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	0004742	molecular_function	dihydrolipoyllysine-residue acetyltransferase activity
I	0005515	molecular_function	protein binding
I	0005737	cellular_component	cytoplasm
I	0016407	molecular_function	acetyltransferase activity
I	0016740	molecular_function	transferase activity
I	0016746	molecular_function	acyltransferase activity
I	0031405	molecular_function	lipoic acid binding
J	0004742	molecular_function	dihydrolipoyllysine-residue acetyltransferase activity
J	0005515	molecular_function	protein binding
J	0005737	cellular_component	cytoplasm
J	0016407	molecular_function	acetyltransferase activity
J	0016740	molecular_function	transferase activity
J	0016746	molecular_function	acyltransferase activity
J	0031405	molecular_function	lipoic acid binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A1368

Chain	Residue
A	ASP173
A	ASN202
A	PHE204
A	TPW1370
A	HOH1410

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K B1325

Chain	Residue
B	ASP165
B	HOH1363
B	ILE112
B	THR113
B	ALA160
B	ASP163

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG A1326

Chain	Residue
A	HOH1421
B	HOH1335
C	HOH1420
C	HOH1483

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

Chain	Residue
C	ASP173
C	ASN202
C	PHE204
C	TPW1370
C	HOH1432

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	HOH1474

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG G 369

Chain	Residue
G	ASP173
G	ASN202
G	PHE204
G	TPW1370
G	HOH1407

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG E 369

Chain	Residue
E	GLY172
E	ASP173
E	GLN200
E	ASN202
E	PHE204
E	TPW1370

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG E 370

Chain	Residue
E	HOH1466
F	HOH1358
G	HOH1410
H	HOH1480
H	HOH1481

site_id	AC9
Number of Residues	25
Details	BINDING SITE FOR RESIDUE TPW 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	ARG267
A	HIS271
A	MG1368
A	HOH1410
A	HOH1412
A	HOH1463
A	HOH1482
A	HOH1493
D	GLU28
D	LEU57
D	GLU59
D	GLN81
D	PHE85

site_id	BC1
Number of Residues	26
Details	BINDING SITE FOR RESIDUE TPW 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	ALA206
C	HIS271
C	MG1368
C	HOH1382
C	HOH1394
C	HOH1413
C	HOH1432
C	HOH1444
C	HOH1455

site_id	BC2
Number of Residues	23
Details	BINDING SITE FOR RESIDUE TPW E1370

Chain	Residue
E	GLY174
E	GLY175
E	GLN178
E	ASN202
E	PHE204
E	ALA205
E	ALA206
E	HIS271
E	MG369
E	HOH1458
E	HOH1478
E	HOH1496
H	GLU28
H	LEU57
H	GLU59
H	GLN81
H	PHE85
E	TYR102
E	ARG103
E	ILE142
E	ILE144
E	GLY172
E	ASP173

site_id	BC3
Number of Residues	25
Details	BINDING SITE FOR RESIDUE TPW 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	ALA206
G	HIS271
G	MG369
G	HOH1407
G	HOH1408
G	HOH1411
G	HOH1459
G	HOH1461

Functional Information from PROSITE/UniProt

site_id	PS00189
Number of Residues	30
Details	LIPOYL 2-oxo acid dehydrogenases acyltransferase component lipoyl binding site. GdeVnedDVLceVQNdKAVveIpspvkGkV

Chain	Residue	Details
I	GLY27-VAL56

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
A	HIS271

site_id	CSA10
Number of Residues	2
Details	Annotated By Reference To The Literature 1dtw

Chain	Residue	Details
D	GLU59
D	HIS128

site_id	CSA11
Number of Residues	2
Details	Annotated By Reference To The Literature 1dtw

Chain	Residue	Details
F	GLU59
F	HIS128

site_id	CSA12
Number of Residues	2
Details	Annotated By Reference To The Literature 1dtw

Chain	Residue	Details
H	GLU59
H	HIS128

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

Chain	Residue	Details
C	HIS271

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

Chain	Residue	Details
E	HIS271

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

Chain	Residue	Details
G	HIS271

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

Chain	Residue	Details
B	GLU59

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

Chain	Residue	Details
D	GLU59

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

Chain	Residue	Details
F	GLU59

site_id	CSA8
Number of Residues	1
Details	Annotated By Reference To The Literature 1dtw

Chain	Residue	Details
H	GLU59

site_id	CSA9
Number of Residues	2
Details	Annotated By Reference To The Literature 1dtw

Chain	Residue	Details
B	GLU59
B	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
A	TYR281	electrostatic stabiliser, hydrogen bond 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)