Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2VR0

Crystal structure of cytochrome c nitrite reductase NrfHA complex bound to the HQNO inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0042279	molecular_function	nitrite reductase (cytochrome, ammonia-forming) activity
A	0042597	cellular_component	periplasmic space
B	0042279	molecular_function	nitrite reductase (cytochrome, ammonia-forming) activity
B	0042597	cellular_component	periplasmic space
C	0005886	cellular_component	plasma membrane
C	0009055	molecular_function	electron transfer activity
C	0009061	biological_process	anaerobic respiration
C	0016020	cellular_component	membrane
C	0019333	biological_process	denitrification pathway
C	0020037	molecular_function	heme binding
C	0046872	molecular_function	metal ion binding
D	0042279	molecular_function	nitrite reductase (cytochrome, ammonia-forming) activity
D	0042597	cellular_component	periplasmic space
E	0042279	molecular_function	nitrite reductase (cytochrome, ammonia-forming) activity
E	0042597	cellular_component	periplasmic space
F	0005886	cellular_component	plasma membrane
F	0009055	molecular_function	electron transfer activity
F	0009061	biological_process	anaerobic respiration
F	0016020	cellular_component	membrane
F	0019333	biological_process	denitrification pathway
F	0020037	molecular_function	heme binding
F	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	BINDING SITE FOR RESIDUE HEM A1001

Chain	Residue
A	ARG116
A	TYR236
A	HIS298
A	ASN429
A	HEC1003
A	HOH2023
A	ALA118
A	ILE131
A	ARG133
A	CYS147
A	CYS150
A	LYS151
A	CYS232
A	HIS233

site_id	AC2
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HEM A1002

Chain	Residue
A	TYR39
A	PHE57
A	GLN60
A	TYR61
A	TYR64
A	GLY186
A	CYS187
A	CYS190
A	HIS191
A	MET196
A	LEU198
A	ARG221
A	ARG225
A	MET321
A	ILE332
A	SER333
A	HIS335
A	TRP337
A	HEC1003
C	GLU126
C	VAL127

site_id	AC3
Number of Residues	23
Details	BINDING SITE FOR RESIDUE HEM A1003

Chain	Residue
A	GLY78
A	SER79
A	ALA118
A	ARG119
A	GLY120
A	HIS121
A	TYR123
A	ALA124
A	ASP127
A	CYS150
A	ILE185
A	THR189
A	VAL228
A	CYS229
A	CYS232
A	HIS233
A	HIS320
A	TRP337
A	THR338
A	HEC1001
A	HEC1002
A	HEC1004
A	CA1007

site_id	AC4
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HEM A1004

Chain	Residue
A	THR74
A	LYS77
A	GLY78
A	GLU117
A	HIS233
A	GLU300
A	TRP304
A	HIS309
A	VAL314
A	THR315
A	CYS316
A	CYS319
A	HIS320
A	SER339
A	MET341
A	GLN369
A	ASN429
A	PHE433
A	HIS434
A	HEC1003
A	CA1007

site_id	AC5
Number of Residues	13
Details	BINDING SITE FOR RESIDUE HEM A1005

Chain	Residue
A	HIS309
A	CYS319
A	PRO340
A	MET346
A	CYS349
A	CYS352
A	HIS353
A	ARG364
B	HIS353
B	LYS356
B	HEC1005
C	ASP138
C	ARG141

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA A1006

Chain	Residue
A	GLU235
A	TYR236
A	LYS295
A	GLN297
A	HOH2014

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA A1007

Chain	Residue
A	ALA118
A	HEC1003
A	HEC1004
A	GLY78
A	GLU117

site_id	AC8
Number of Residues	18
Details	BINDING SITE FOR RESIDUE HEM B1001

Chain	Residue
B	ARG116
B	ALA118
B	PHE128
B	ILE131
B	ARG133
B	CYS147
B	CYS150
B	LYS151
B	CYS232
B	HIS233
B	TYR236
B	PHE238
B	HIS298
B	ASN429
B	HEC1003
B	HOH2008
B	HOH2040
B	HOH2041

site_id	AC9
Number of Residues	19
Details	BINDING SITE FOR RESIDUE HEM B1002

Chain	Residue
B	TYR39
B	PHE57
B	GLN60
B	TYR64
B	GLY186
B	CYS187
B	CYS190
B	HIS191
B	MET196
B	LEU198
B	ARG221
B	ARG225
B	MET321
B	TYR323
B	SER333
B	HIS335
B	TRP337
B	HEC1003
C	ALA157

site_id	BC1
Number of Residues	24
Details	BINDING SITE FOR RESIDUE HEM B1003

Chain	Residue
B	GLY78
B	SER79
B	ALA118
B	ARG119
B	GLY120
B	HIS121
B	TYR123
B	ALA124
B	ASP127
B	CYS150
B	ILE185
B	VAL228
B	CYS229
B	CYS232
B	HIS233
B	HIS320
B	MET321
B	TRP337
B	THR338
B	HEC1001
B	HEC1002
B	HEC1004
B	CA1007
B	HOH2029

site_id	BC2
Number of Residues	23
Details	BINDING SITE FOR RESIDUE HEM B1004

Chain	Residue
B	THR74
B	LYS77
B	GLY78
B	GLU117
B	ALA118
B	HIS233
B	GLU300
B	TRP304
B	HIS309
B	VAL314
B	THR315
B	CYS316
B	CYS319
B	HIS320
B	SER339
B	GLN369
B	ASN429
B	PHE433
B	HIS434
B	HEC1003
B	HEC1005
B	CA1007
B	HOH2029

site_id	BC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE HEM B1005

Chain	Residue
A	HIS353
A	LYS356
A	HEC1005
B	HIS309
B	VAL314
B	ASP318
B	PRO340
B	CYS349
B	CYS352
B	HIS353
B	ARG364
B	VAL365
B	PHE433
B	PRO436
B	HEC1004
C	MET148

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA B1006

Chain	Residue
B	GLU235
B	TYR236
B	LYS295
B	GLN297
B	HOH2016

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA B1007

Chain	Residue
B	GLY78
B	GLU117
B	ALA118
B	HEC1003
B	HEC1004

site_id	BC6
Number of Residues	13
Details	BINDING SITE FOR RESIDUE HEM C1001

Chain	Residue
C	THR37
C	CYS43
C	CYS46
C	MET49
C	ASN67
C	ASP89
C	MET92
C	ASN93
C	ALA104
C	GLY105
C	THR108
C	HEC1002
C	HQO1005

site_id	BC7
Number of Residues	18
Details	BINDING SITE FOR RESIDUE HEM C1002

Chain	Residue
C	ARG40
C	CYS43
C	MET49
C	VAL52
C	GLY53
C	HIS56
C	HIS61
C	SER65
C	CYS66
C	CYS69
C	HIS70
C	ILE102
C	ALA104
C	LYS109
C	THR137
C	GLN144
C	HIS145
C	HEC1001

site_id	BC8
Number of Residues	17
Details	BINDING SITE FOR RESIDUE HEM C1003

Chain	Residue
C	GLY60
C	HIS61
C	ASP68
C	CYS69
C	ASN115
C	CYS116
C	CYS119
C	HIS120
C	HIS140
C	VAL143
C	HEC1004
D	LYS329
F	CYS119
F	HIS120
F	MET122
F	THR123
F	HEC1003

site_id	BC9
Number of Residues	17
Details	BINDING SITE FOR RESIDUE HEM C1004

Chain	Residue
A	TYR323
A	THR324
A	ARG325
A	LYS331
A	ARG347
A	GLN351
C	CYS116
C	HIS120
C	ASN124
C	SER129
C	CYS136
C	CYS139
C	HIS140
C	HEC1003
D	ARG325
D	LYS329
F	HEC1004

site_id	CC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE HQO C1005

Chain	Residue
C	MET34
C	PHE42
C	ASN67
C	LYS82
C	ALA85
C	GLY86
C	ASP89
C	HEC1001

site_id	CC2
Number of Residues	18
Details	BINDING SITE FOR RESIDUE HEM D1001

Chain	Residue
D	TYR115
D	ARG116
D	ALA118
D	PHE128
D	ILE131
D	ARG133
D	CYS147
D	CYS150
D	LYS151
D	CYS232
D	HIS233
D	TYR236
D	HIS298
D	ASN429
D	HEC1003
D	HOH2007
D	HOH2019
D	HOH2020

site_id	CC3
Number of Residues	19
Details	BINDING SITE FOR RESIDUE HEM D1002

Chain	Residue
D	TYR39
D	PHE57
D	GLN60
D	TYR61
D	TYR64
D	GLY186
D	CYS187
D	CYS190
D	HIS191
D	MET196
D	ARG221
D	ARG225
D	MET321
D	SER333
D	HIS335
D	TRP337
D	HEC1003
F	GLU126
F	VAL127

site_id	CC4
Number of Residues	25
Details	BINDING SITE FOR RESIDUE HEM D1003

Chain	Residue
D	GLY78
D	SER79
D	ALA118
D	ARG119
D	GLY120
D	HIS121
D	TYR123
D	ALA124
D	ASP127
D	CYS150
D	LYS151
D	ILE185
D	THR189
D	VAL228
D	CYS229
D	CYS232
D	HIS233
D	HIS320
D	MET321
D	TRP337
D	THR338
D	HEC1001
D	HEC1002
D	HEC1004
D	CA1007

site_id	CC5
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HEM D1004

Chain	Residue
D	THR74
D	LYS77
D	GLY78
D	GLU117
D	HIS233
D	GLU300
D	TRP304
D	HIS309
D	VAL314
D	THR315
D	CYS316
D	CYS319
D	HIS320
D	SER339
D	GLN369
D	ASN429
D	PHE433
D	HIS434
D	HEC1003
D	HEC1005
D	CA1007

site_id	CC6
Number of Residues	12
Details	BINDING SITE FOR RESIDUE HEM D1005

Chain	Residue
D	HIS309
D	VAL314
D	MET346
D	ALA348
D	CYS349
D	CYS352
D	HIS353
D	ARG364
D	HEC1004
E	HIS353
E	LYS356
F	ARG141

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA D1006

Chain	Residue
D	GLU235
D	TYR236
D	ASP283
D	LYS295
D	GLN297

site_id	CC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA D1007

Chain	Residue
D	GLY78
D	GLU117
D	ALA118
D	HEC1003
D	HEC1004

site_id	CC9
Number of Residues	17
Details	BINDING SITE FOR RESIDUE HEM E1001

Chain	Residue
E	ARG116
E	ALA118
E	ASP127
E	ILE131
E	ARG133
E	CYS147
E	CYS150
E	LYS151
E	CYS232
E	HIS233
E	VAL234
E	TYR236
E	HIS298
E	ASN429
E	HEC1003
E	HOH2005
E	HOH2013

site_id	DC1
Number of Residues	18
Details	BINDING SITE FOR RESIDUE HEM E1002

Chain	Residue
E	TYR39
E	GLN60
E	TYR64
E	GLY186
E	CYS187
E	CYS190
E	HIS191
E	MET196
E	ARG221
E	ARG225
E	MET321
E	TYR323
E	ILE332
E	SER333
E	HIS335
E	TRP337
E	HEC1003
F	ALA157

site_id	DC2
Number of Residues	24
Details	BINDING SITE FOR RESIDUE HEM E1003

Chain	Residue
E	GLY78
E	SER79
E	ALA118
E	ARG119
E	GLY120
E	HIS121
E	ALA124
E	ASP127
E	CYS150
E	LYS151
E	ILE185
E	THR189
E	VAL228
E	CYS229
E	CYS232
E	HIS233
E	HIS320
E	MET321
E	TRP337
E	THR338
E	HEC1001
E	HEC1002
E	HEC1004
E	CA1007

site_id	DC3
Number of Residues	22
Details	BINDING SITE FOR RESIDUE HEM E1004

Chain	Residue
E	THR74
E	LYS77
E	GLY78
E	GLU117
E	GLU300
E	TRP304
E	HIS309
E	VAL314
E	THR315
E	CYS316
E	CYS319
E	HIS320
E	SER339
E	PRO340
E	MET341
E	GLN369
E	ASN429
E	PHE433
E	HIS434
E	HEC1003
E	CA1007
E	HOH2009

site_id	DC4
Number of Residues	14
Details	BINDING SITE FOR RESIDUE HEM E1005

Chain	Residue
D	HIS353
D	LYS356
E	HIS309
E	VAL314
E	ASP318
E	PRO340
E	CYS349
E	CYS352
E	HIS353
E	ARG364
E	VAL365
E	PRO436
E	HOH2014
F	MET148

site_id	DC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA E1006

Chain	Residue
E	GLU235
E	TYR236
E	LYS295
E	GLN297

site_id	DC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA E1007

Chain	Residue
E	GLY78
E	GLU117
E	ALA118
E	HEC1003
E	HEC1004

site_id	DC7
Number of Residues	15
Details	BINDING SITE FOR RESIDUE HEM F1001

Chain	Residue
F	THR37
F	CYS43
F	CYS46
F	MET49
F	CYS66
F	ASN67
F	HIS70
F	ASP89
F	MET92
F	LEU103
F	ALA104
F	GLY105
F	THR108
F	HEC1002
F	HQO1005

site_id	DC8
Number of Residues	17
Details	BINDING SITE FOR RESIDUE HEM F1002

Chain	Residue
F	ARG40
F	CYS43
F	MET49
F	VAL52
F	HIS56
F	HIS61
F	SER65
F	CYS66
F	CYS69
F	HIS70
F	ALA104
F	LYS109
F	THR137
F	VAL143
F	GLN144
F	HIS145
F	HEC1001

site_id	DC9
Number of Residues	17
Details	BINDING SITE FOR RESIDUE HEM F1003

Chain	Residue
A	LYS329
C	CYS119
C	HIS120
C	MET122
C	THR123
C	HEC1003
F	GLY60
F	HIS61
F	ASP68
F	CYS69
F	VAL112
F	ASN115
F	CYS116
F	CYS119
F	HIS120
F	HIS140
F	HOH2003

site_id	EC1
Number of Residues	15
Details	BINDING SITE FOR RESIDUE HEM F1004

Chain	Residue
A	ARG325
A	LYS329
C	HEC1004
D	TYR323
D	THR324
D	ARG325
D	LYS331
D	ARG347
D	GLN351
F	HIS120
F	ASN124
F	SER129
F	CYS136
F	CYS139
F	HIS140

site_id	EC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE HQO F1005

Chain	Residue
F	THR37
F	ASN67
F	LYS82
F	ALA85
F	GLY86
F	ASP89
F	HEC1001

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	112
Details	Region: {"description":"Interaction with NrfH","evidences":[{"source":"PubMed","id":"17139260","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2J7A","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	28
Details	Binding site: {"evidences":[{"source":"PubMed","id":"17139260","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18597779","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2J7A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2VR0","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	46
Details	Binding site: {"description":"axial binding residue","evidences":[{"source":"PubMed","id":"17139260","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18597779","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2J7A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2VR0","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	24
Details	Binding site: {"description":"covalent","evidences":[{"source":"PubMed","id":"17139260","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2J7A","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	28
Details	Binding site: {"description":"covalent","evidences":[{"source":"PubMed","id":"17139260","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18597779","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2J7A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2VR0","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	4
Details	Binding site: {"description":"covalent","evidences":[{"source":"PubMed","id":"18597779","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2VR0","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	4
Details	Site: {"description":"Interaction with NrfH","evidences":[{"source":"PubMed","id":"17139260","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2J7A","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI8
Number of Residues	36
Details	Transmembrane: {"description":"Helical; Signal-anchor for type II membrane protein","evidences":[{"evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"17139260","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18597779","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI9
Number of Residues	72
Details	Region: {"description":"Interaction with NrfA","evidences":[{"source":"PubMed","id":"17139260","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2J7A","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI10
Number of Residues	4
Details	Binding site: {"description":"axial binding residue","evidences":[{"source":"PubMed","id":"17139260","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2J7A","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI11
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"18597779","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2VR0","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI12
Number of Residues	6
Details	Site: {"description":"Interaction with NrfA","evidences":[{"source":"PubMed","id":"17139260","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2J7A","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI13
Number of Residues	125
Details	Topological domain: {"description":"Periplasmic","evidences":[{"source":"PubMed","id":"17139260","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18597779","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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