Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3EYA

Structural basis for membrane binding and catalytic activation of the peripheral membrane enzyme pyruvate oxidase from Escherichia coli

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0000287	molecular_function	magnesium ion binding
A	0003824	molecular_function	catalytic activity
A	0005829	cellular_component	cytosol
A	0005886	cellular_component	plasma membrane
A	0006090	biological_process	pyruvate metabolic process
A	0008289	molecular_function	lipid binding
A	0016491	molecular_function	oxidoreductase activity
A	0019752	biological_process	carboxylic acid metabolic process
A	0030976	molecular_function	thiamine pyrophosphate binding
A	0032991	cellular_component	protein-containing complex
A	0042802	molecular_function	identical protein binding
A	0042867	biological_process	pyruvate catabolic process
A	0046872	molecular_function	metal ion binding
A	0048039	molecular_function	ubiquinone binding
A	0050660	molecular_function	flavin adenine dinucleotide binding
A	0052737	molecular_function	pyruvate dehydrogenase (quinone) activity
B	0000166	molecular_function	nucleotide binding
B	0000287	molecular_function	magnesium ion binding
B	0003824	molecular_function	catalytic activity
B	0005829	cellular_component	cytosol
B	0005886	cellular_component	plasma membrane
B	0006090	biological_process	pyruvate metabolic process
B	0008289	molecular_function	lipid binding
B	0016491	molecular_function	oxidoreductase activity
B	0019752	biological_process	carboxylic acid metabolic process
B	0030976	molecular_function	thiamine pyrophosphate binding
B	0032991	cellular_component	protein-containing complex
B	0042802	molecular_function	identical protein binding
B	0042867	biological_process	pyruvate catabolic process
B	0046872	molecular_function	metal ion binding
B	0048039	molecular_function	ubiquinone binding
B	0050660	molecular_function	flavin adenine dinucleotide binding
B	0052737	molecular_function	pyruvate dehydrogenase (quinone) activity
C	0000166	molecular_function	nucleotide binding
C	0000287	molecular_function	magnesium ion binding
C	0003824	molecular_function	catalytic activity
C	0005829	cellular_component	cytosol
C	0005886	cellular_component	plasma membrane
C	0006090	biological_process	pyruvate metabolic process
C	0008289	molecular_function	lipid binding
C	0016491	molecular_function	oxidoreductase activity
C	0019752	biological_process	carboxylic acid metabolic process
C	0030976	molecular_function	thiamine pyrophosphate binding
C	0032991	cellular_component	protein-containing complex
C	0042802	molecular_function	identical protein binding
C	0042867	biological_process	pyruvate catabolic process
C	0046872	molecular_function	metal ion binding
C	0048039	molecular_function	ubiquinone binding
C	0050660	molecular_function	flavin adenine dinucleotide binding
C	0052737	molecular_function	pyruvate dehydrogenase (quinone) activity
D	0000166	molecular_function	nucleotide binding
D	0000287	molecular_function	magnesium ion binding
D	0003824	molecular_function	catalytic activity
D	0005829	cellular_component	cytosol
D	0005886	cellular_component	plasma membrane
D	0006090	biological_process	pyruvate metabolic process
D	0008289	molecular_function	lipid binding
D	0016491	molecular_function	oxidoreductase activity
D	0019752	biological_process	carboxylic acid metabolic process
D	0030976	molecular_function	thiamine pyrophosphate binding
D	0032991	cellular_component	protein-containing complex
D	0042802	molecular_function	identical protein binding
D	0042867	biological_process	pyruvate catabolic process
D	0046872	molecular_function	metal ion binding
D	0048039	molecular_function	ubiquinone binding
D	0050660	molecular_function	flavin adenine dinucleotide binding
D	0052737	molecular_function	pyruvate dehydrogenase (quinone) activity
E	0000166	molecular_function	nucleotide binding
E	0000287	molecular_function	magnesium ion binding
E	0003824	molecular_function	catalytic activity
E	0005829	cellular_component	cytosol
E	0005886	cellular_component	plasma membrane
E	0006090	biological_process	pyruvate metabolic process
E	0008289	molecular_function	lipid binding
E	0016491	molecular_function	oxidoreductase activity
E	0019752	biological_process	carboxylic acid metabolic process
E	0030976	molecular_function	thiamine pyrophosphate binding
E	0032991	cellular_component	protein-containing complex
E	0042802	molecular_function	identical protein binding
E	0042867	biological_process	pyruvate catabolic process
E	0046872	molecular_function	metal ion binding
E	0048039	molecular_function	ubiquinone binding
E	0050660	molecular_function	flavin adenine dinucleotide binding
E	0052737	molecular_function	pyruvate dehydrogenase (quinone) activity
F	0000166	molecular_function	nucleotide binding
F	0000287	molecular_function	magnesium ion binding
F	0003824	molecular_function	catalytic activity
F	0005829	cellular_component	cytosol
F	0005886	cellular_component	plasma membrane
F	0006090	biological_process	pyruvate metabolic process
F	0008289	molecular_function	lipid binding
F	0016491	molecular_function	oxidoreductase activity
F	0019752	biological_process	carboxylic acid metabolic process
F	0030976	molecular_function	thiamine pyrophosphate binding
F	0032991	cellular_component	protein-containing complex
F	0042802	molecular_function	identical protein binding
F	0042867	biological_process	pyruvate catabolic process
F	0046872	molecular_function	metal ion binding
F	0048039	molecular_function	ubiquinone binding
F	0050660	molecular_function	flavin adenine dinucleotide binding
F	0052737	molecular_function	pyruvate dehydrogenase (quinone) activity
G	0000166	molecular_function	nucleotide binding
G	0000287	molecular_function	magnesium ion binding
G	0003824	molecular_function	catalytic activity
G	0005829	cellular_component	cytosol
G	0005886	cellular_component	plasma membrane
G	0006090	biological_process	pyruvate metabolic process
G	0008289	molecular_function	lipid binding
G	0016491	molecular_function	oxidoreductase activity
G	0019752	biological_process	carboxylic acid metabolic process
G	0030976	molecular_function	thiamine pyrophosphate binding
G	0032991	cellular_component	protein-containing complex
G	0042802	molecular_function	identical protein binding
G	0042867	biological_process	pyruvate catabolic process
G	0046872	molecular_function	metal ion binding
G	0048039	molecular_function	ubiquinone binding
G	0050660	molecular_function	flavin adenine dinucleotide binding
G	0052737	molecular_function	pyruvate dehydrogenase (quinone) activity
H	0000166	molecular_function	nucleotide binding
H	0000287	molecular_function	magnesium ion binding
H	0003824	molecular_function	catalytic activity
H	0005829	cellular_component	cytosol
H	0005886	cellular_component	plasma membrane
H	0006090	biological_process	pyruvate metabolic process
H	0008289	molecular_function	lipid binding
H	0016491	molecular_function	oxidoreductase activity
H	0019752	biological_process	carboxylic acid metabolic process
H	0030976	molecular_function	thiamine pyrophosphate binding
H	0032991	cellular_component	protein-containing complex
H	0042802	molecular_function	identical protein binding
H	0042867	biological_process	pyruvate catabolic process
H	0046872	molecular_function	metal ion binding
H	0048039	molecular_function	ubiquinone binding
H	0050660	molecular_function	flavin adenine dinucleotide binding
H	0052737	molecular_function	pyruvate dehydrogenase (quinone) activity
I	0000166	molecular_function	nucleotide binding
I	0000287	molecular_function	magnesium ion binding
I	0003824	molecular_function	catalytic activity
I	0005829	cellular_component	cytosol
I	0005886	cellular_component	plasma membrane
I	0006090	biological_process	pyruvate metabolic process
I	0008289	molecular_function	lipid binding
I	0016491	molecular_function	oxidoreductase activity
I	0019752	biological_process	carboxylic acid metabolic process
I	0030976	molecular_function	thiamine pyrophosphate binding
I	0032991	cellular_component	protein-containing complex
I	0042802	molecular_function	identical protein binding
I	0042867	biological_process	pyruvate catabolic process
I	0046872	molecular_function	metal ion binding
I	0048039	molecular_function	ubiquinone binding
I	0050660	molecular_function	flavin adenine dinucleotide binding
I	0052737	molecular_function	pyruvate dehydrogenase (quinone) activity
J	0000166	molecular_function	nucleotide binding
J	0000287	molecular_function	magnesium ion binding
J	0003824	molecular_function	catalytic activity
J	0005829	cellular_component	cytosol
J	0005886	cellular_component	plasma membrane
J	0006090	biological_process	pyruvate metabolic process
J	0008289	molecular_function	lipid binding
J	0016491	molecular_function	oxidoreductase activity
J	0019752	biological_process	carboxylic acid metabolic process
J	0030976	molecular_function	thiamine pyrophosphate binding
J	0032991	cellular_component	protein-containing complex
J	0042802	molecular_function	identical protein binding
J	0042867	biological_process	pyruvate catabolic process
J	0046872	molecular_function	metal ion binding
J	0048039	molecular_function	ubiquinone binding
J	0050660	molecular_function	flavin adenine dinucleotide binding
J	0052737	molecular_function	pyruvate dehydrogenase (quinone) activity
K	0000166	molecular_function	nucleotide binding
K	0000287	molecular_function	magnesium ion binding
K	0003824	molecular_function	catalytic activity
K	0005829	cellular_component	cytosol
K	0005886	cellular_component	plasma membrane
K	0006090	biological_process	pyruvate metabolic process
K	0008289	molecular_function	lipid binding
K	0016491	molecular_function	oxidoreductase activity
K	0019752	biological_process	carboxylic acid metabolic process
K	0030976	molecular_function	thiamine pyrophosphate binding
K	0032991	cellular_component	protein-containing complex
K	0042802	molecular_function	identical protein binding
K	0042867	biological_process	pyruvate catabolic process
K	0046872	molecular_function	metal ion binding
K	0048039	molecular_function	ubiquinone binding
K	0050660	molecular_function	flavin adenine dinucleotide binding
K	0052737	molecular_function	pyruvate dehydrogenase (quinone) activity
L	0000166	molecular_function	nucleotide binding
L	0000287	molecular_function	magnesium ion binding
L	0003824	molecular_function	catalytic activity
L	0005829	cellular_component	cytosol
L	0005886	cellular_component	plasma membrane
L	0006090	biological_process	pyruvate metabolic process
L	0008289	molecular_function	lipid binding
L	0016491	molecular_function	oxidoreductase activity
L	0019752	biological_process	carboxylic acid metabolic process
L	0030976	molecular_function	thiamine pyrophosphate binding
L	0032991	cellular_component	protein-containing complex
L	0042802	molecular_function	identical protein binding
L	0042867	biological_process	pyruvate catabolic process
L	0046872	molecular_function	metal ion binding
L	0048039	molecular_function	ubiquinone binding
L	0050660	molecular_function	flavin adenine dinucleotide binding
L	0052737	molecular_function	pyruvate dehydrogenase (quinone) activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	24
Details	BINDING SITE FOR RESIDUE TPP A 611

Chain	Residue
A	GLY381
A	ASN460
A	VAL462
A	LEU463
A	GLY464
A	PHE465
A	MG613
A	HOH674
B	THR25
B	GLU50
B	SER73
A	THR382
B	GLY77
B	HIS80
B	GLN113
B	PO4614
L	HOH653
A	PRO383
A	GLY406
A	MET408
A	GLY432
A	ASP433
A	GLY434
A	GLY435

site_id	AC2
Number of Residues	22
Details	BINDING SITE FOR RESIDUE TPP B 611

Chain	Residue
A	THR25
A	GLU50
A	SER73
A	HIS80
A	GLN113
A	PO4614
B	GLY381
B	THR382
B	PRO383
B	GLY406
B	MET408
B	GLY432
B	ASP433
B	GLY434
B	GLY435
B	ASN460
B	VAL462
B	LEU463
B	GLY464
B	PHE465
B	MG613
L	HOH763

site_id	AC3
Number of Residues	22
Details	BINDING SITE FOR RESIDUE TPP C 611

Chain	Residue
C	GLY381
C	THR382
C	PRO383
C	GLY406
C	MET408
C	GLY432
C	ASP433
C	GLY434
C	GLY435
C	ASN460
C	VAL462
C	LEU463
C	GLY464
C	PHE465
C	MG613
D	THR25
D	GLU50
D	SER73
D	HIS80
D	GLN113
D	PO4615
L	HOH773

site_id	AC4
Number of Residues	23
Details	BINDING SITE FOR RESIDUE TPP D 611

Chain	Residue
A	HOH772
C	THR25
C	GLU50
C	SER73
C	HIS80
C	GLN113
C	PO4614
D	GLY381
D	THR382
D	PRO383
D	GLY406
D	MET408
D	GLY432
D	ASP433
D	GLY434
D	GLY435
D	ASN460
D	VAL462
D	LEU463
D	GLY464
D	PHE465
D	VAL466
D	MG613

site_id	AC5
Number of Residues	21
Details	BINDING SITE FOR RESIDUE TPP E 611

Chain	Residue
E	GLY435
E	MET438
E	ASN460
E	VAL462
E	LEU463
E	GLY464
E	MG613
F	THR25
F	GLU50
F	SER73
F	HIS80
F	GLN113
F	PO4614
E	GLY381
E	THR382
E	PRO383
E	GLY406
E	MET408
E	GLY432
E	ASP433
E	GLY434

site_id	AC6
Number of Residues	21
Details	BINDING SITE FOR RESIDUE TPP F 611

Chain	Residue
A	HOH671
E	THR25
E	GLU50
E	SER73
E	HIS80
E	GLN113
E	PO4614
F	GLY381
F	THR382
F	PRO383
F	GLY406
F	MET408
F	GLY432
F	ASP433
F	GLY434
F	GLY435
F	ASN460
F	VAL462
F	LEU463
F	GLY464
F	MG613

site_id	AC7
Number of Residues	21
Details	BINDING SITE FOR RESIDUE TPP G 611

Chain	Residue
A	HOH779
G	GLY381
G	THR382
G	PRO383
G	GLY406
G	MET408
G	GLY432
G	ASP433
G	GLY434
G	GLY435
G	ASN460
G	VAL462
G	LEU463
G	GLY464
G	MG613
H	THR25
H	GLU50
H	SER73
H	HIS80
H	GLN113
H	PO4615

site_id	AC8
Number of Residues	23
Details	BINDING SITE FOR RESIDUE TPP H 611

Chain	Residue
A	HOH715
G	THR25
G	GLU50
G	SER73
G	GLY77
G	HIS80
G	GLN113
G	PO4615
H	GLY381
H	THR382
H	PRO383
H	GLY406
H	MET408
H	GLY432
H	ASP433
H	GLY434
H	GLY435
H	ASN460
H	VAL462
H	LEU463
H	GLY464
H	MG613
H	HOH651

site_id	AC9
Number of Residues	23
Details	BINDING SITE FOR RESIDUE TPP I 611

Chain	Residue
A	HOH702
I	GLY381
I	THR382
I	PRO383
I	GLY406
I	MET408
I	GLY432
I	ASP433
I	GLY434
I	GLY435
I	ASN460
I	VAL462
I	LEU463
I	GLY464
I	PHE465
I	MG613
J	THR25
J	GLU50
J	SER73
J	GLY77
J	HIS80
J	GLN113
J	PO4614

site_id	BC1
Number of Residues	23
Details	BINDING SITE FOR RESIDUE TPP J 611

Chain	Residue
A	HOH794
I	THR25
I	GLU50
I	SER73
I	GLY77
I	HIS80
I	GLN113
I	PO4615
J	GLY381
J	THR382
J	PRO383
J	GLY406
J	MET408
J	GLY432
J	ASP433
J	GLY434
J	GLY435
J	ASN460
J	VAL462
J	LEU463
J	GLY464
J	PHE465
J	MG613

site_id	BC2
Number of Residues	25
Details	BINDING SITE FOR RESIDUE TPP K 611

Chain	Residue
A	HOH628
K	GLY381
K	THR382
K	PRO383
K	GLY406
K	MET408
K	GLY432
K	ASP433
K	GLY434
K	GLY435
K	ASN460
K	VAL462
K	LEU463
K	GLY464
K	PHE465
K	MG613
L	THR25
L	GLU50
L	SER73
L	PRO76
L	GLY77
L	HIS80
L	GLN113
L	PO4616
L	HOH652

site_id	BC3
Number of Residues	23
Details	BINDING SITE FOR RESIDUE TPP L 611

Chain	Residue
A	HOH624
K	THR25
K	GLU50
K	SER73
K	GLY77
K	HIS80
K	GLN113
K	PO4614
L	GLY381
L	THR382
L	PRO383
L	GLY406
L	MET408
L	GLY432
L	ASP433
L	GLY434
L	GLY435
L	ASN460
L	VAL462
L	LEU463
L	GLY464
L	PHE465
L	MG613

site_id	BC4
Number of Residues	31
Details	BINDING SITE FOR RESIDUE FAD A 612

Chain	Residue
A	HIS92
A	ARG152
A	GLY209
A	SER210
A	GLY211
A	ALA233
A	LEU234
A	ARG235
A	GLY236
A	THR251
A	GLY252
A	LEU253
A	ILE254
A	GLY273
A	THR274
A	GLN275
A	PHE276
A	TYR278
A	ASP292
A	ILE293
A	ASN294
A	SER297
A	GLY310
A	ASP311
A	ILE312
A	PHE403
A	ASN404
A	HOH629
A	HOH824
A	HOH868
B	PHE112

site_id	BC5
Number of Residues	28
Details	BINDING SITE FOR RESIDUE FAD B 612

Chain	Residue
A	PHE112
B	HIS92
B	GLY209
B	SER210
B	GLY211
B	ALA233
B	LEU234
B	ARG235
B	GLY236
B	THR251
B	GLY252
B	LEU253
B	ILE254
B	GLY273
B	THR274
B	GLN275
B	PHE276
B	TYR278
B	ASP292
B	ILE293
B	ASN294
B	SER297
B	GLY310
B	ASP311
B	ILE312
B	PHE403
B	ASN404
B	HOH1252

site_id	BC6
Number of Residues	31
Details	BINDING SITE FOR RESIDUE FAD C 612

Chain	Residue
C	HIS92
C	ARG152
C	GLY209
C	SER210
C	GLY211
C	ALA233
C	LEU234
C	ARG235
C	GLY236
C	THR251
C	GLY252
C	LEU253
C	ILE254
C	GLY273
C	THR274
C	GLN275
C	PHE276
C	TYR278
C	ASP292
C	ILE293
C	ASN294
C	SER297
C	GLY310
C	ASP311
C	ILE312
C	PHE403
C	ASN404
C	HOH623
C	HOH631
C	HOH653
D	PHE112

site_id	BC7
Number of Residues	30
Details	BINDING SITE FOR RESIDUE FAD D 612

Chain	Residue
A	HOH652
C	PHE112
D	HIS92
D	GLY209
D	SER210
D	GLY211
D	ALA233
D	LEU234
D	ARG235
D	GLY236
D	THR251
D	GLY252
D	LEU253
D	ILE254
D	GLY273
D	THR274
D	GLN275
D	PHE276
D	TYR278
D	ASP292
D	ILE293
D	ASN294
D	SER297
D	GLY310
D	ASP311
D	ILE312
D	PHE403
D	ASN404
D	HOH677
D	HOH688

site_id	BC8
Number of Residues	28
Details	BINDING SITE FOR RESIDUE FAD E 612

Chain	Residue
E	HIS92
E	GLY209
E	SER210
E	GLY211
E	ALA233
E	LEU234
E	ARG235
E	THR251
E	GLY252
E	LEU253
E	ILE254
E	GLY273
E	THR274
E	GLN275
E	PHE276
E	PRO277
E	TYR278
E	ASP292
E	ILE293
E	ASN294
E	SER297
E	GLY310
E	ASP311
E	ILE312
E	PHE403
E	ASN404
F	PHE112
L	HOH798

site_id	BC9
Number of Residues	29
Details	BINDING SITE FOR RESIDUE FAD F 612

Chain	Residue
A	HOH677
E	PHE112
F	HIS92
F	GLY209
F	SER210
F	GLY211
F	ALA233
F	LEU234
F	ARG235
F	GLY236
F	THR251
F	GLY252
F	LEU253
F	ILE254
F	GLY273
F	THR274
F	GLN275
F	PHE276
F	PRO277
F	TYR278
F	ASP292
F	ILE293
F	ASN294
F	SER297
F	GLY310
F	ASP311
F	ILE312
F	PHE403
F	ASN404

site_id	CC1
Number of Residues	29
Details	BINDING SITE FOR RESIDUE FAD G 612

Chain	Residue
G	HIS92
G	ARG152
G	GLY209
G	SER210
G	GLY211
G	ALA233
G	LEU234
G	ARG235
G	GLY236
G	THR251
G	GLY252
G	LEU253
G	ILE254
G	GLY273
G	THR274
G	GLN275
G	PHE276
G	TYR278
G	ASP292
G	ILE293
G	ASN294
G	SER297
G	GLY310
G	ASP311
G	ILE312
G	PHE403
G	ASN404
G	HOH650
H	PHE112

site_id	CC2
Number of Residues	28
Details	BINDING SITE FOR RESIDUE FAD H 612

Chain	Residue
G	PHE112
H	HIS92
H	GLY209
H	SER210
H	GLY211
H	ALA233
H	LEU234
H	ARG235
H	GLY236
H	THR251
H	GLY252
H	LEU253
H	ILE254
H	GLY273
H	THR274
H	GLN275
H	PHE276
H	TYR278
H	ASP292
H	ILE293
H	ASN294
H	SER297
H	GLY310
H	ASP311
H	ILE312
H	PHE403
H	ASN404
L	HOH632

site_id	CC3
Number of Residues	30
Details	BINDING SITE FOR RESIDUE FAD I 612

Chain	Residue
A	HOH646
I	HIS92
I	ARG152
I	GLY209
I	SER210
I	GLY211
I	ALA233
I	LEU234
I	ARG235
I	GLY236
I	THR251
I	GLY252
I	LEU253
I	ILE254
I	GLY273
I	THR274
I	GLN275
I	PHE276
I	TYR278
I	ASP292
I	ILE293
I	ASN294
I	SER297
I	GLY310
I	ASP311
I	ILE312
I	PHE403
I	ASN404
I	HOH632
J	PHE112

site_id	CC4
Number of Residues	30
Details	BINDING SITE FOR RESIDUE FAD J 612

Chain	Residue
I	PHE112
J	HIS92
J	GLY209
J	SER210
J	GLY211
J	ALA233
J	LEU234
J	ARG235
J	GLY236
J	THR251
J	GLY252
J	LEU253
J	ILE254
J	GLY273
J	THR274
J	GLN275
J	PHE276
J	TYR278
J	ASP292
J	ILE293
J	ASN294
J	SER297
J	GLY310
J	ASP311
J	ILE312
J	PHE403
J	ASN404
J	HOH824
J	HOH1319
L	HOH732

site_id	CC5
Number of Residues	29
Details	BINDING SITE FOR RESIDUE FAD K 612

Chain	Residue
A	HOH710
K	HIS92
K	ARG152
K	GLY209
K	SER210
K	GLY211
K	ALA233
K	LEU234
K	ARG235
K	GLY236
K	THR251
K	GLY252
K	LEU253
K	ILE254
K	GLY273
K	THR274
K	GLN275
K	PHE276
K	TYR278
K	ASP292
K	ILE293
K	ASN294
K	SER297
K	GLY310
K	ASP311
K	ILE312
K	PHE403
K	ASN404
L	PHE112

site_id	CC6
Number of Residues	30
Details	BINDING SITE FOR RESIDUE FAD L 612

Chain	Residue
K	PHE112
L	HIS92
L	ARG152
L	GLY209
L	SER210
L	GLY211
L	ALA233
L	LEU234
L	ARG235
L	GLY236
L	THR251
L	GLY252
L	LEU253
L	ILE254
L	GLY273
L	THR274
L	GLN275
L	PHE276
L	TYR278
L	ASP292
L	ILE293
L	ASN294
L	SER297
L	GLY310
L	ASP311
L	ILE312
L	VAL380
L	PHE403
L	ASN404
L	HOH983

site_id	CC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG A 613

Chain	Residue
A	ASP433
A	ASN460
A	VAL462
A	TPP611

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG B 613

Chain	Residue
B	ASP433
B	ASN460
B	VAL462
B	TPP611

site_id	CC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG C 613

Chain	Residue
C	ASP433
C	ASN460
C	VAL462
C	TPP611

site_id	DC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG D 613

Chain	Residue
D	ASP433
D	ASN460
D	VAL462
D	TPP611

site_id	DC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG E 613

Chain	Residue
E	ASP433
E	ASN460
E	VAL462
E	TPP611

site_id	DC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG F 613

Chain	Residue
F	ASP433
F	ASN460
F	VAL462
F	TPP611

site_id	DC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG G 613

Chain	Residue
G	ASP433
G	ASN460
G	VAL462
G	TPP611

site_id	DC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG H 613

Chain	Residue
H	ASP433
H	ASN460
H	VAL462
H	TPP611
H	HOH651

site_id	DC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG I 613

Chain	Residue
I	ASP433
I	ASN460
I	VAL462
I	TPP611

site_id	DC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG J 613

Chain	Residue
J	ASP433
J	ASN460
J	VAL462
J	TPP611

site_id	DC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG K 613

Chain	Residue
K	ASP433
K	ASN460
K	VAL462
K	TPP611

site_id	DC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG L 613

Chain	Residue
L	ASP433
L	ASN460
L	VAL462
L	TPP611

site_id	EC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PO4 H 614

Chain	Residue
H	HIS239
H	GLY395

site_id	EC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PO4 L 614

Chain	Residue
L	GLU238
L	HIS239
L	GLY395

site_id	EC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PO4 L 615

Chain	Residue
L	SER367
L	HIS368
L	ASP372
L	ARG397

site_id	EC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PO4 I 614

Chain	Residue
I	THR173
I	MET174
I	HIS175

site_id	EC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PO4 G 614

Chain	Residue
G	THR173
G	MET174
G	HIS175

site_id	EC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PO4 D 614

Chain	Residue
D	THR173
D	MET174
D	HIS175

site_id	EC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 L 616

Chain	Residue
K	TPP611
L	GLY26
L	ASP27
L	SER28
L	GLN113
L	HOH652

site_id	EC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 A 614

Chain	Residue
A	GLY26
A	ASP27
A	SER28
A	SER73
A	GLN113
B	TPP611

site_id	EC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 H 615

Chain	Residue
G	TPP611
H	GLY26
H	ASP27
H	SER28
H	GLN113
H	HOH635

site_id	FC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 B 614

Chain	Residue
A	TPP611
B	GLY26
B	ASP27
B	SER28
B	SER73
B	GLN113
L	HOH653

site_id	FC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 G 615

Chain	Residue
G	GLY26
G	ASP27
G	SER28
G	SER73
G	GLN113
G	HOH641
H	TPP611

site_id	FC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 F 614

Chain	Residue
E	TPP611
F	GLY26
F	ASP27
F	SER28
F	GLN113

site_id	FC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 E 614

Chain	Residue
E	GLY26
E	ASP27
E	SER28
E	GLN113
F	TPP611
L	HOH858

site_id	FC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 K 614

Chain	Residue
K	GLY26
K	ASP27
K	SER28
K	GLN113
K	HOH618
L	TPP611

site_id	FC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 C 614

Chain	Residue
C	GLY26
C	ASP27
C	SER28
C	SER73
C	GLN113
D	TPP611
L	HOH826

site_id	FC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 D 615

Chain	Residue
C	TPP611
D	GLY26
D	ASP27
D	SER28
D	GLN113
L	HOH736

site_id	FC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 J 614

Chain	Residue
I	TPP611
J	GLY26
J	ASP27
J	SER28
J	SER73
J	GLN113
L	HOH738

site_id	FC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 I 615

Chain	Residue
I	GLY26
I	ASP27
I	SER28
I	GLN113
I	HOH618
J	TPP611

site_id	GC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 D 616

Chain	Residue
D	GLU241
D	TYR339
D	ARG343
D	LEU391
L	HOH823

site_id	GC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PO4 B 615

Chain	Residue
B	GLU238
B	HIS239
B	GLY395
B	ARG398

site_id	GC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 D 617

Chain	Residue
D	SER367
D	HIS368
D	ARG397
D	HOH639
D	HOH685

site_id	GC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PO4 A 615

Chain	Residue
A	LEU150
A	ASN151
A	GLN181
D	ILE293

site_id	GC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PO4 G 616

Chain	Residue
G	HIS239
G	GLY395
G	ARG398

site_id	GC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PO4 A 616

Chain	Residue
A	GLU241
A	ARG343
A	LEU391
L	HOH790

site_id	GC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PO4 A 617

Chain	Residue
A	GLU492
A	ILE496
A	THR497

site_id	GC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PO4 A 618

Chain	Residue
A	THR173
A	MET174
A	HIS175

site_id	GC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PO4 A 619

Chain	Residue
A	LYS313
A	ARG317

site_id	HC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PO4 F 615

Chain	Residue
F	HIS239
F	GLY395
F	ARG398

site_id	HC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PO4 L 617

Chain	Residue
A	SER353
A	GLU354
L	GLU324
L	GLU325

site_id	HC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PO4 L 618

Chain	Residue
L	GLY252
L	GLY255
L	PHE256
L	PHE260

site_id	HC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 D 618

Chain	Residue
D	GLY252
D	GLY255
D	PHE256
D	SER257
D	ALA533

site_id	HC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PO4 E 615

Chain	Residue
E	SER367
E	HIS368
E	ARG397

site_id	HC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PO4 D 619

Chain	Residue
D	HIS239
D	GLY395

site_id	HC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PO4 B 616

Chain	Residue
B	ASN151
B	GLN181

site_id	HC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE PO4 C 615

Chain	Residue
C	GLU106

site_id	HC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PO4 D 620

Chain	Residue
D	ILE293
D	ASN294
D	HOH643

Functional Information from PROSITE/UniProt

site_id	PS00187
Number of Residues	20
Details	TPP_ENZYMES Thiamine pyrophosphate enzymes signature. LGaqatePerqvVaMcGDGG

Chain	Residue	Details
A	LEU416-GLY435

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1810
Details	Region: {"description":"Pyr domain","evidences":[{"source":"HAMAP-Rule","id":"MF_00850","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"18988747","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	1812
Details	Region: {"description":"FAD-binding domain","evidences":[{"source":"HAMAP-Rule","id":"MF_00850","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"18988747","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	222
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00850","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"18988747","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3EY9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3EYA","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	84
Details	Binding site: {"evidences":[{"source":"PubMed","id":"18988747","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3EY9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3EYA","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	8
Details	Site: {"description":"Moves into active site upon enzyme activation, plays a role in electron transfer","evidences":[{"source":"HAMAP-Rule","id":"MF_00850","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"18988747","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 275

Chain	Residue	Details
A	GLU50	activator, hydrogen bond acceptor, hydrogen bond donor, increase acidity, promote heterolysis, proton acceptor, proton donor
A	PHE112	electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser
A	GLN113	hydrogen bond acceptor, promote heterolysis
A	VAL380	electrostatic destabiliser, promote heterolysis, radical stabiliser, steric role, van der waals interaction
A	PHE465	electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser, steric role

site_id	MCSA10
Number of Residues	5
Details	M-CSA 275

Chain	Residue	Details
J	GLU50	activator, hydrogen bond acceptor, hydrogen bond donor, increase acidity, promote heterolysis, proton acceptor, proton donor
J	PHE112	electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser
J	GLN113	hydrogen bond acceptor, promote heterolysis
J	VAL380	electrostatic destabiliser, promote heterolysis, radical stabiliser, steric role, van der waals interaction
J	PHE465	electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser, steric role

site_id	MCSA11
Number of Residues	5
Details	M-CSA 275

Chain	Residue	Details
K	GLU50	activator, hydrogen bond acceptor, hydrogen bond donor, increase acidity, promote heterolysis, proton acceptor, proton donor
K	PHE112	electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser
K	GLN113	hydrogen bond acceptor, promote heterolysis
K	VAL380	electrostatic destabiliser, promote heterolysis, radical stabiliser, steric role, van der waals interaction
K	PHE465	electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser, steric role

site_id	MCSA12
Number of Residues	5
Details	M-CSA 275

Chain	Residue	Details
L	GLU50	activator, hydrogen bond acceptor, hydrogen bond donor, increase acidity, promote heterolysis, proton acceptor, proton donor
L	PHE112	electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser
L	GLN113	hydrogen bond acceptor, promote heterolysis
L	VAL380	electrostatic destabiliser, promote heterolysis, radical stabiliser, steric role, van der waals interaction
L	PHE465	electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser, steric role

site_id	MCSA2
Number of Residues	5
Details	M-CSA 275

Chain	Residue	Details
B	GLU50	activator, hydrogen bond acceptor, hydrogen bond donor, increase acidity, promote heterolysis, proton acceptor, proton donor
B	PHE112	electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser
B	GLN113	hydrogen bond acceptor, promote heterolysis
B	VAL380	electrostatic destabiliser, promote heterolysis, radical stabiliser, steric role, van der waals interaction
B	PHE465	electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser, steric role

site_id	MCSA3
Number of Residues	5
Details	M-CSA 275

Chain	Residue	Details
C	GLU50	activator, hydrogen bond acceptor, hydrogen bond donor, increase acidity, promote heterolysis, proton acceptor, proton donor
C	PHE112	electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser
C	GLN113	hydrogen bond acceptor, promote heterolysis
C	VAL380	electrostatic destabiliser, promote heterolysis, radical stabiliser, steric role, van der waals interaction
C	PHE465	electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser, steric role

site_id	MCSA4
Number of Residues	5
Details	M-CSA 275

Chain	Residue	Details
D	GLU50	activator, hydrogen bond acceptor, hydrogen bond donor, increase acidity, promote heterolysis, proton acceptor, proton donor
D	PHE112	electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser
D	GLN113	hydrogen bond acceptor, promote heterolysis
D	VAL380	electrostatic destabiliser, promote heterolysis, radical stabiliser, steric role, van der waals interaction
D	PHE465	electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser, steric role

site_id	MCSA5
Number of Residues	4
Details	M-CSA 275

Chain	Residue	Details
E	GLU50	activator, hydrogen bond acceptor, hydrogen bond donor, increase acidity, promote heterolysis, proton acceptor, proton donor
E	PHE112	electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser
E	GLN113	hydrogen bond acceptor, promote heterolysis
E	VAL380	electrostatic destabiliser, promote heterolysis, radical stabiliser, steric role, van der waals interaction

site_id	MCSA6
Number of Residues	4
Details	M-CSA 275

Chain	Residue	Details
F	GLU50	activator, hydrogen bond acceptor, hydrogen bond donor, increase acidity, promote heterolysis, proton acceptor, proton donor
F	PHE112	electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser
F	GLN113	hydrogen bond acceptor, promote heterolysis
F	VAL380	electrostatic destabiliser, promote heterolysis, radical stabiliser, steric role, van der waals interaction

site_id	MCSA7
Number of Residues	4
Details	M-CSA 275

Chain	Residue	Details
G	GLU50	activator, hydrogen bond acceptor, hydrogen bond donor, increase acidity, promote heterolysis, proton acceptor, proton donor
G	PHE112	electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser
G	GLN113	hydrogen bond acceptor, promote heterolysis
G	VAL380	electrostatic destabiliser, promote heterolysis, radical stabiliser, steric role, van der waals interaction

site_id	MCSA8
Number of Residues	4
Details	M-CSA 275

Chain	Residue	Details
H	GLU50	activator, hydrogen bond acceptor, hydrogen bond donor, increase acidity, promote heterolysis, proton acceptor, proton donor
H	PHE112	electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser
H	GLN113	hydrogen bond acceptor, promote heterolysis
H	VAL380	electrostatic destabiliser, promote heterolysis, radical stabiliser, steric role, van der waals interaction

site_id	MCSA9
Number of Residues	5
Details	M-CSA 275

Chain	Residue	Details
I	GLU50	activator, hydrogen bond acceptor, hydrogen bond donor, increase acidity, promote heterolysis, proton acceptor, proton donor
I	PHE112	electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser
I	GLN113	hydrogen bond acceptor, promote heterolysis
I	VAL380	electrostatic destabiliser, promote heterolysis, radical stabiliser, steric role, van der waals interaction
I	PHE465	electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser, steric role

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