Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3HYV

3-D X-Ray structure of the sulfide:quinone oxidoreductase from the hyperthermophilic bacterium Aquifex aeolicus

Replaces: 3H27

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
A	0016020	cellular_component	membrane
A	0016491	molecular_function	oxidoreductase activity
A	0019646	biological_process	aerobic electron transport chain
A	0042802	molecular_function	identical protein binding
A	0048038	molecular_function	quinone binding
A	0070224	molecular_function	sulfide:quinone oxidoreductase activity
B	0000166	molecular_function	nucleotide binding
B	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
B	0016020	cellular_component	membrane
B	0016491	molecular_function	oxidoreductase activity
B	0019646	biological_process	aerobic electron transport chain
B	0042802	molecular_function	identical protein binding
B	0048038	molecular_function	quinone binding
B	0070224	molecular_function	sulfide:quinone oxidoreductase activity
C	0000166	molecular_function	nucleotide binding
C	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
C	0016020	cellular_component	membrane
C	0016491	molecular_function	oxidoreductase activity
C	0019646	biological_process	aerobic electron transport chain
C	0042802	molecular_function	identical protein binding
C	0048038	molecular_function	quinone binding
C	0070224	molecular_function	sulfide:quinone oxidoreductase activity
D	0000166	molecular_function	nucleotide binding
D	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
D	0016020	cellular_component	membrane
D	0016491	molecular_function	oxidoreductase activity
D	0019646	biological_process	aerobic electron transport chain
D	0042802	molecular_function	identical protein binding
D	0048038	molecular_function	quinone binding
D	0070224	molecular_function	sulfide:quinone oxidoreductase activity
E	0000166	molecular_function	nucleotide binding
E	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
E	0016020	cellular_component	membrane
E	0016491	molecular_function	oxidoreductase activity
E	0019646	biological_process	aerobic electron transport chain
E	0042802	molecular_function	identical protein binding
E	0048038	molecular_function	quinone binding
E	0070224	molecular_function	sulfide:quinone oxidoreductase activity
F	0000166	molecular_function	nucleotide binding
F	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
F	0016020	cellular_component	membrane
F	0016491	molecular_function	oxidoreductase activity
F	0019646	biological_process	aerobic electron transport chain
F	0042802	molecular_function	identical protein binding
F	0048038	molecular_function	quinone binding
F	0070224	molecular_function	sulfide:quinone oxidoreductase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	36
Details	BINDING SITE FOR RESIDUE FAD A 441

Chain	Residue
A	ILE8
A	THR42
A	PRO43
A	LYS77
A	ALA78
A	ALA104
A	THR105
A	GLY106
A	ILE123
A	CYS124
A	PRO159
A	GLY9
A	GLY293
A	VAL294
A	LYS312
A	THR313
A	GLY314
A	ILE317
A	LYS382
A	SO4433
A	HOH437
A	HOH440
A	GLY10
A	HOH447
A	HOH449
A	HOH459
A	HOH485
A	HOH529
A	H2S700
A	PS9800
A	GLY11
A	VAL12
A	GLY13
A	SER34
A	ASP35
A	ARG36

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE LMT A 600

Chain	Residue
A	TRP377
A	PHE381
A	VAL406
A	SO4434
B	LMT600

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE H2S A 700

Chain	Residue
A	CYS124
A	FAD441

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PS9 A 800

Chain	Residue
A	CSS156
A	PHE157
A	GLY158
A	PRO159
A	CYS347
A	ILE348
A	FAD441

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MES A 900

Chain	Residue
A	HIS168
A	TYR169
A	LYS172
A	ASP354
A	HOH483
C	SO4431

site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 431

Chain	Residue
A	ARG369
E	LYS172

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 432

Chain	Residue
A	TRP391
A	ARG394
A	ASN395
B	SER401

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 433

Chain	Residue
A	LYS77
A	LYS108
A	PRO257
A	GLU258
A	VAL259
A	FAD441

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 434

Chain	Residue
A	GLY375
A	LYS376
A	TRP377
A	LMT600

site_id	BC1
Number of Residues	35
Details	BINDING SITE FOR RESIDUE FAD B 441

Chain	Residue
B	HOH459
B	HOH471
B	HOH492
B	HOH493
B	H2S700
B	HOH705
B	HOH769
B	PS9800
B	ILE8
B	GLY9
B	GLY10
B	GLY11
B	VAL12
B	GLY13
B	SER34
B	ASP35
B	ARG36
B	THR42
B	PRO43
B	LYS77
B	ALA78
B	ALA104
B	THR105
B	GLY106
B	ILE123
B	CYS124
B	PRO159
B	GLY293
B	VAL294
B	LYS312
B	THR313
B	GLY314
B	ILE317
B	LYS382
B	SO4433

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE LMT B 600

Chain	Residue
A	LMT600
B	LYS373
B	TRP377
B	PHE381
B	SO4434

site_id	BC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE H2S B 700

Chain	Residue
B	CYS124
B	FAD441

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PS9 B 800

Chain	Residue
B	CSS156
B	GLY158
B	CYS347
B	ALA349
B	FAD441

site_id	BC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE MES B 900

Chain	Residue
B	HIS168
B	TYR169
B	LYS172
B	ARG213
B	GLU353
B	ASP354
B	SO4435
B	HOH661

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 431

Chain	Residue
B	ARG369
D	LYS172
D	MES900

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 432

Chain	Residue
A	SER401
B	TRP391
B	ARG394
B	ASN395

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 433

Chain	Residue
B	LYS77
B	PRO257
B	GLU258
B	VAL259
B	FAD441

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 434

Chain	Residue
B	GLY375
B	LYS376
B	TRP377
B	LMT600

site_id	CC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 435

Chain	Residue
B	LYS172
B	MES900
F	ARG369

site_id	CC2
Number of Residues	30
Details	BINDING SITE FOR RESIDUE FAD C 441

Chain	Residue
C	GLY9
C	GLY10
C	GLY11
C	VAL12
C	GLY13
C	SER34
C	ASP35
C	ARG36
C	THR42
C	PRO43
C	LYS77
C	ALA78
C	ALA104
C	THR105
C	GLY106
C	ILE123
C	CYS124
C	PRO159
C	GLY293
C	VAL294
C	THR313
C	GLY314
C	ILE317
C	LYS382
C	SO4433
C	HOH438
C	HOH599
C	HOH682
C	H2S700
C	HOH802

site_id	CC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE LMT C 600

Chain	Residue
C	LYS373
C	PHE381
C	VAL406
C	LEU407
C	SO4434
D	LMT600

site_id	CC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE H2S C 700

Chain	Residue
C	CYS124
C	FAD441

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PS9 C 800

Chain	Residue
C	CSS156
C	GLY158
C	PRO159
C	ILE348

site_id	CC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE MES C 900

Chain	Residue
C	HIS168
C	TYR169
C	LYS172
C	ARG213
C	GLU353
C	ASP354
C	LYS376
C	HOH475
C	HOH486
E	SO4435

site_id	CC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 431

Chain	Residue
A	LYS172
A	MES900
C	ARG369

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 432

Chain	Residue
C	TRP391
C	ARG394
C	ASN395
D	SER401

site_id	CC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 C 433

Chain	Residue
C	LYS77
C	LYS108
C	PRO257
C	GLU258
C	VAL259
C	FAD441
C	HOH456

site_id	DC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 434

Chain	Residue
C	GLY375
C	LYS376
C	TRP377
C	LMT600
C	HOH625

site_id	DC2
Number of Residues	27
Details	BINDING SITE FOR RESIDUE FAD D 441

Chain	Residue
D	GLY9
D	GLY10
D	GLY11
D	VAL12
D	GLY13
D	SER34
D	ASP35
D	ARG36
D	THR42
D	PRO43
D	LYS77
D	ALA78
D	THR105
D	GLY106
D	ILE123
D	CYS124
D	PRO159
D	GLY293
D	VAL294
D	LYS312
D	THR313
D	GLY314
D	LYS382
D	HOH455
D	HOH461
D	H2S700
D	HOH803

site_id	DC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE LMT D 600

Chain	Residue
C	PHE381
C	LMT600
D	LYS373
D	PHE381
D	SO4434

site_id	DC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE H2S D 700

Chain	Residue
D	CYS124
D	FAD441

site_id	DC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PS9 D 800

Chain	Residue
D	CSS156
D	PHE157
D	GLY158
D	PS9802

site_id	DC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PS9 D 802

Chain	Residue
D	CYS347
D	PS9800

site_id	DC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MES D 900

Chain	Residue
B	SO4431
D	HIS168
D	LYS172
D	ARG213
D	GLU353
D	ASP354
D	HOH452

site_id	DC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 432

Chain	Residue
C	SER401
D	TRP391
D	ARG394
D	ASN395

site_id	DC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 D 433

Chain	Residue
D	LYS77
D	LYS108
D	PRO257
D	GLU258
D	VAL259

site_id	EC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 434

Chain	Residue
D	GLY375
D	LYS376
D	TRP377
D	LMT600

site_id	EC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 E 435

Chain	Residue
C	LYS172
C	MES900
E	ARG369

site_id	EC3
Number of Residues	33
Details	BINDING SITE FOR RESIDUE FAD E 441

Chain	Residue
E	ILE8
E	GLY9
E	GLY10
E	GLY11
E	VAL12
E	GLY13
E	SER34
E	ASP35
E	ARG36
E	THR42
E	PRO43
E	LYS77
E	ALA78
E	THR105
E	GLY106
E	ILE123
E	CYS124
E	PRO159
E	GLY293
E	VAL294
E	LYS312
E	THR313
E	GLY314
E	ILE317
E	CYS347
E	LYS382
E	SO4433
E	HOH448
E	HOH461
E	HOH481
E	H2S700
E	HOH792
E	PS9800

site_id	EC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE LMT E 600

Chain	Residue
E	LYS373
E	TRP377
E	LEU411
E	SO4434
F	LMT600

site_id	EC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE H2S E 700

Chain	Residue
E	CYS124
E	FAD441

site_id	EC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PS9 E 800

Chain	Residue
E	CSS156
E	PHE157
E	GLY158
E	PRO159
E	CYS347
E	FAD441

site_id	EC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MES E 900

Chain	Residue
E	HIS168
E	TYR169
E	LYS172
E	GLU353
E	ASP354

site_id	EC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 432

Chain	Residue
E	TRP391
E	ARG394
E	ASN395
F	SER401

site_id	EC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 E 433

Chain	Residue
E	LYS77
E	LYS108
E	PRO257
E	GLU258
E	VAL259
E	FAD441

site_id	FC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 434

Chain	Residue
E	GLY375
E	LYS376
E	TRP377
E	LMT600

site_id	FC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 E 431

Chain	Residue
E	SER401
F	TRP391
F	ASN395

site_id	FC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 F 431

Chain	Residue
D	ARG369
F	LYS172
F	MES900

site_id	FC4
Number of Residues	31
Details	BINDING SITE FOR RESIDUE FAD F 441

Chain	Residue
F	GLY9
F	GLY10
F	GLY11
F	VAL12
F	GLY13
F	SER34
F	ASP35
F	ARG36
F	THR42
F	PRO43
F	LYS77
F	ALA78
F	THR105
F	GLY106
F	ILE123
F	CYS124
F	PRO159
F	GLY293
F	VAL294
F	LYS312
F	THR313
F	GLY314
F	ILE317
F	LYS382
F	SO4433
F	HOH453
F	HOH512
F	HOH689
F	HOH690
F	H2S700
F	PS9800

site_id	FC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE LMT F 600

Chain	Residue
E	LMT600
F	LYS373
F	TRP377
F	SO4434

site_id	FC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE H2S F 700

Chain	Residue
F	CYS124
F	FAD441

site_id	FC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PS9 F 800

Chain	Residue
F	CSS156
F	GLY158
F	PRO159
F	CYS347
F	FAD441

site_id	FC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MES F 900

Chain	Residue
F	HIS168
F	TYR169
F	LYS172
F	ARG213
F	GLU353
F	ASP354
F	SO4431

site_id	FC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 F 433

Chain	Residue
F	LYS77
F	LYS108
F	PRO257
F	GLU258
F	VAL259
F	FAD441

site_id	GC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 F 434

Chain	Residue
F	GLY375
F	LYS376
F	TRP377
F	LMT600

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	Active site: {"description":"Cysteine persulfide intermediate","evidences":[{"source":"UniProtKB","id":"Q7ZAG8","evidenceCode":"ECO:0000250"},{"source":"PubMed","id":"19487671","evidenceCode":"ECO:0000303"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	72
Details	Binding site: {"evidences":[{"source":"PubMed","id":"19487671","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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