4HEA

Crystal structure of the entire respiratory complex I from Thermus thermophilus

Functional Information from GO Data

Chain	GOid	namespace	contents
1	0005886	cellular_component	plasma membrane
1	0008137	molecular_function	NADH dehydrogenase (ubiquinone) activity
1	0010181	molecular_function	FMN binding
1	0045271	cellular_component	respiratory chain complex I
1	0046872	molecular_function	metal ion binding
1	0048038	molecular_function	quinone binding
1	0051287	molecular_function	NAD binding
1	0051539	molecular_function	4 iron, 4 sulfur cluster binding
1	1902600	biological_process	proton transmembrane transport
2	0003954	molecular_function	NADH dehydrogenase activity
2	0005886	cellular_component	plasma membrane
2	0016491	molecular_function	oxidoreductase activity
2	0045271	cellular_component	respiratory chain complex I
2	0046872	molecular_function	metal ion binding
2	0048038	molecular_function	quinone binding
2	0051537	molecular_function	2 iron, 2 sulfur cluster binding
3	0003954	molecular_function	NADH dehydrogenase activity
3	0005886	cellular_component	plasma membrane
3	0008137	molecular_function	NADH dehydrogenase (ubiquinone) activity
3	0016020	cellular_component	membrane
3	0016491	molecular_function	oxidoreductase activity
3	0016651	molecular_function	oxidoreductase activity, acting on NAD(P)H
3	0042773	biological_process	ATP synthesis coupled electron transport
3	0043546	molecular_function	molybdopterin cofactor binding
3	0045333	biological_process	cellular respiration
3	0046872	molecular_function	metal ion binding
3	0048038	molecular_function	quinone binding
3	0051536	molecular_function	iron-sulfur cluster binding
3	0051537	molecular_function	2 iron, 2 sulfur cluster binding
3	0051539	molecular_function	4 iron, 4 sulfur cluster binding
3	1902600	biological_process	proton transmembrane transport
4	0005886	cellular_component	plasma membrane
4	0016651	molecular_function	oxidoreductase activity, acting on NAD(P)H
4	0048038	molecular_function	quinone binding
4	0050136	molecular_function	NADH:ubiquinone reductase (non-electrogenic) activity
4	0051287	molecular_function	NAD binding
5	0005886	cellular_component	plasma membrane
5	0008137	molecular_function	NADH dehydrogenase (ubiquinone) activity
5	0016651	molecular_function	oxidoreductase activity, acting on NAD(P)H
5	0048038	molecular_function	quinone binding
5	0050136	molecular_function	NADH:ubiquinone reductase (non-electrogenic) activity
5	1902600	biological_process	proton transmembrane transport
6	0005506	molecular_function	iron ion binding
6	0005886	cellular_component	plasma membrane
6	0008137	molecular_function	NADH dehydrogenase (ubiquinone) activity
6	0009060	biological_process	aerobic respiration
6	0015990	biological_process	electron transport coupled proton transport
6	0046872	molecular_function	metal ion binding
6	0048038	molecular_function	quinone binding
6	0050136	molecular_function	NADH:ubiquinone reductase (non-electrogenic) activity
6	0051536	molecular_function	iron-sulfur cluster binding
6	0051539	molecular_function	4 iron, 4 sulfur cluster binding
7	0005886	cellular_component	plasma membrane
7	0008199	molecular_function	ferric iron binding
7	0016226	biological_process	iron-sulfur cluster assembly
7	0048038	molecular_function	quinone binding
9	0003954	molecular_function	NADH dehydrogenase activity
9	0005506	molecular_function	iron ion binding
9	0005886	cellular_component	plasma membrane
9	0009060	biological_process	aerobic respiration
9	0016020	cellular_component	membrane
9	0016651	molecular_function	oxidoreductase activity, acting on NAD(P)H
9	0046872	molecular_function	metal ion binding
9	0048038	molecular_function	quinone binding
9	0050136	molecular_function	NADH:ubiquinone reductase (non-electrogenic) activity
9	0051539	molecular_function	4 iron, 4 sulfur cluster binding
A	0005886	cellular_component	plasma membrane
A	0008137	molecular_function	NADH dehydrogenase (ubiquinone) activity
A	0016651	molecular_function	oxidoreductase activity, acting on NAD(P)H
A	0030964	cellular_component	NADH dehydrogenase complex
A	0048038	molecular_function	quinone binding
A	0050136	molecular_function	NADH:ubiquinone reductase (non-electrogenic) activity
A	1902600	biological_process	proton transmembrane transport
B	0005886	cellular_component	plasma membrane
B	0008137	molecular_function	NADH dehydrogenase (ubiquinone) activity
B	0010181	molecular_function	FMN binding
B	0045271	cellular_component	respiratory chain complex I
B	0046872	molecular_function	metal ion binding
B	0048038	molecular_function	quinone binding
B	0051287	molecular_function	NAD binding
B	0051539	molecular_function	4 iron, 4 sulfur cluster binding
B	1902600	biological_process	proton transmembrane transport
C	0003954	molecular_function	NADH dehydrogenase activity
C	0005886	cellular_component	plasma membrane
C	0016491	molecular_function	oxidoreductase activity
C	0045271	cellular_component	respiratory chain complex I
C	0046872	molecular_function	metal ion binding
C	0048038	molecular_function	quinone binding
C	0051537	molecular_function	2 iron, 2 sulfur cluster binding
D	0003954	molecular_function	NADH dehydrogenase activity
D	0005886	cellular_component	plasma membrane
D	0008137	molecular_function	NADH dehydrogenase (ubiquinone) activity
D	0016020	cellular_component	membrane
D	0016491	molecular_function	oxidoreductase activity
D	0016651	molecular_function	oxidoreductase activity, acting on NAD(P)H
D	0042773	biological_process	ATP synthesis coupled electron transport
D	0043546	molecular_function	molybdopterin cofactor binding
D	0045333	biological_process	cellular respiration
D	0046872	molecular_function	metal ion binding
D	0048038	molecular_function	quinone binding
D	0051536	molecular_function	iron-sulfur cluster binding
D	0051537	molecular_function	2 iron, 2 sulfur cluster binding
D	0051539	molecular_function	4 iron, 4 sulfur cluster binding
D	1902600	biological_process	proton transmembrane transport
E	0005886	cellular_component	plasma membrane
E	0016651	molecular_function	oxidoreductase activity, acting on NAD(P)H
E	0048038	molecular_function	quinone binding
E	0050136	molecular_function	NADH:ubiquinone reductase (non-electrogenic) activity
E	0051287	molecular_function	NAD binding
F	0005886	cellular_component	plasma membrane
F	0008137	molecular_function	NADH dehydrogenase (ubiquinone) activity
F	0016651	molecular_function	oxidoreductase activity, acting on NAD(P)H
F	0048038	molecular_function	quinone binding
F	0050136	molecular_function	NADH:ubiquinone reductase (non-electrogenic) activity
F	1902600	biological_process	proton transmembrane transport
G	0005506	molecular_function	iron ion binding
G	0005886	cellular_component	plasma membrane
G	0008137	molecular_function	NADH dehydrogenase (ubiquinone) activity
G	0009060	biological_process	aerobic respiration
G	0015990	biological_process	electron transport coupled proton transport
G	0046872	molecular_function	metal ion binding
G	0048038	molecular_function	quinone binding
G	0050136	molecular_function	NADH:ubiquinone reductase (non-electrogenic) activity
G	0051536	molecular_function	iron-sulfur cluster binding
G	0051539	molecular_function	4 iron, 4 sulfur cluster binding
H	0003954	molecular_function	NADH dehydrogenase activity
H	0005886	cellular_component	plasma membrane
H	0009060	biological_process	aerobic respiration
H	0016020	cellular_component	membrane
H	0016655	molecular_function	oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
H	0048038	molecular_function	quinone binding
I	0005886	cellular_component	plasma membrane
I	0008199	molecular_function	ferric iron binding
I	0016226	biological_process	iron-sulfur cluster assembly
I	0048038	molecular_function	quinone binding
J	0005886	cellular_component	plasma membrane
J	0008137	molecular_function	NADH dehydrogenase (ubiquinone) activity
J	0048038	molecular_function	quinone binding
J	1902600	biological_process	proton transmembrane transport
K	0005886	cellular_component	plasma membrane
K	0016651	molecular_function	oxidoreductase activity, acting on NAD(P)H
K	0030964	cellular_component	NADH dehydrogenase complex
K	0042773	biological_process	ATP synthesis coupled electron transport
K	0048038	molecular_function	quinone binding
K	0050136	molecular_function	NADH:ubiquinone reductase (non-electrogenic) activity
L	0003954	molecular_function	NADH dehydrogenase activity
L	0005886	cellular_component	plasma membrane
L	0008137	molecular_function	NADH dehydrogenase (ubiquinone) activity
L	0015990	biological_process	electron transport coupled proton transport
L	0042773	biological_process	ATP synthesis coupled electron transport
L	0048038	molecular_function	quinone binding
M	0003954	molecular_function	NADH dehydrogenase activity
M	0005886	cellular_component	plasma membrane
M	0008137	molecular_function	NADH dehydrogenase (ubiquinone) activity
M	0009060	biological_process	aerobic respiration
M	0015990	biological_process	electron transport coupled proton transport
M	0042773	biological_process	ATP synthesis coupled electron transport
M	0045271	cellular_component	respiratory chain complex I
M	0048038	molecular_function	quinone binding
M	0048039	molecular_function	ubiquinone binding
N	0005886	cellular_component	plasma membrane
N	0008137	molecular_function	NADH dehydrogenase (ubiquinone) activity
N	0042773	biological_process	ATP synthesis coupled electron transport
N	0048038	molecular_function	quinone binding
N	0050136	molecular_function	NADH:ubiquinone reductase (non-electrogenic) activity
N	1902600	biological_process	proton transmembrane transport
O	0003954	molecular_function	NADH dehydrogenase activity
O	0005506	molecular_function	iron ion binding
O	0005886	cellular_component	plasma membrane
O	0009060	biological_process	aerobic respiration
O	0016020	cellular_component	membrane
O	0016651	molecular_function	oxidoreductase activity, acting on NAD(P)H
O	0046872	molecular_function	metal ion binding
O	0048038	molecular_function	quinone binding
O	0050136	molecular_function	NADH:ubiquinone reductase (non-electrogenic) activity
O	0051539	molecular_function	4 iron, 4 sulfur cluster binding
P	0005886	cellular_component	plasma membrane
P	0008137	molecular_function	NADH dehydrogenase (ubiquinone) activity
P	0016651	molecular_function	oxidoreductase activity, acting on NAD(P)H
P	0030964	cellular_component	NADH dehydrogenase complex
P	0048038	molecular_function	quinone binding
P	0050136	molecular_function	NADH:ubiquinone reductase (non-electrogenic) activity
P	1902600	biological_process	proton transmembrane transport
Q	0003954	molecular_function	NADH dehydrogenase activity
Q	0005886	cellular_component	plasma membrane
Q	0009060	biological_process	aerobic respiration
Q	0016020	cellular_component	membrane
Q	0016655	molecular_function	oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
Q	0048038	molecular_function	quinone binding
R	0005886	cellular_component	plasma membrane
R	0008137	molecular_function	NADH dehydrogenase (ubiquinone) activity
R	0048038	molecular_function	quinone binding
R	1902600	biological_process	proton transmembrane transport
S	0005886	cellular_component	plasma membrane
S	0016651	molecular_function	oxidoreductase activity, acting on NAD(P)H
S	0030964	cellular_component	NADH dehydrogenase complex
S	0042773	biological_process	ATP synthesis coupled electron transport
S	0048038	molecular_function	quinone binding
S	0050136	molecular_function	NADH:ubiquinone reductase (non-electrogenic) activity
T	0003954	molecular_function	NADH dehydrogenase activity
T	0005886	cellular_component	plasma membrane
T	0008137	molecular_function	NADH dehydrogenase (ubiquinone) activity
T	0015990	biological_process	electron transport coupled proton transport
T	0042773	biological_process	ATP synthesis coupled electron transport
T	0048038	molecular_function	quinone binding
U	0003954	molecular_function	NADH dehydrogenase activity
U	0005886	cellular_component	plasma membrane
U	0008137	molecular_function	NADH dehydrogenase (ubiquinone) activity
U	0009060	biological_process	aerobic respiration
U	0015990	biological_process	electron transport coupled proton transport
U	0042773	biological_process	ATP synthesis coupled electron transport
U	0045271	cellular_component	respiratory chain complex I
U	0048038	molecular_function	quinone binding
U	0048039	molecular_function	ubiquinone binding
V	0005886	cellular_component	plasma membrane
V	0008137	molecular_function	NADH dehydrogenase (ubiquinone) activity
V	0042773	biological_process	ATP synthesis coupled electron transport
V	0048038	molecular_function	quinone binding
V	0050136	molecular_function	NADH:ubiquinone reductase (non-electrogenic) activity
V	1902600	biological_process	proton transmembrane transport

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SF4 1 501

Chain	Residue
1	ILE181
1	CYS400
1	LEU402
1	PRO199
1	SER352
1	CYS353
1	GLY354
1	LYS355
1	CYS356
1	CYS359
1	SER398

---

site_id	AC2
Number of Residues	17
Details	BINDING SITE FOR RESIDUE FMN 1 502

Chain	Residue
1	GLY64
1	ARG65
1	GLY66
1	ALA68
1	LYS75
1	ASN92
1	ASP94
1	SER96
1	TYR180
1	GLY183
1	GLU184
1	ILE218
1	ASN219
1	ASN220
1	THR223
1	PRO401
1	LEU402

---

site_id	AC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE FES 2 201

Chain	Residue
2	CYS83
2	THR85
2	SER87
2	CYS88
2	CYS124
2	LEU125
2	GLY126
2	SER127
2	CYS128

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SF4 3 801

Chain	Residue
3	HIS115
3	ASP118
3	CYS119
3	CYS122
3	CYS128
3	ARG180
3	GLY233

---

site_id	AC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SF4 3 802

Chain	Residue
3	CYS181
3	ILE182
3	CYS184
3	ARG186
3	CYS187
3	PHE202
3	CYS230
3	VAL232
3	ALA234

---

site_id	AC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SF4 3 803

Chain	Residue
3	CYS256
3	LEU258
3	CYS259
3	VAL261
3	GLY262
3	CYS263
3	CYS291
3	GLY294

---

site_id	AC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE FES 3 804

Chain	Residue
3	LEU32
3	CYS34
3	SER35
3	GLY43
3	ALA44
3	CYS45
3	ARG46
3	MET47
3	CYS48
3	CYS83

---

site_id	AC8
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SF4 6 201

Chain	Residue
4	ARG84
4	HIS169
6	ALA44
6	CYS45
6	CYS46
6	GLY82
6	ARG83
6	ALA110
6	CYS111
6	CYS140
6	PRO141

---

site_id	AC9
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SF4 9 201

Chain	Residue
9	HIS41
9	CYS63
9	PRO64
9	ILE68
9	CYS98
9	ILE99
9	PHE100
9	CYS101
9	GLY102
9	CYS104

---

site_id	BC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SF4 9 202

Chain	Residue
9	PRO109
9	THR110
9	ALA112
9	ILE113
9	CYS53
9	ILE54
9	GLY55
9	CYS56
9	SER57
9	CYS59
9	CYS108

---

site_id	BC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SF4 B 501

Chain	Residue
B	ILE181
B	PRO199
B	SER352
B	CYS353
B	GLY354
B	LYS355
B	CYS356
B	CYS359
B	SER398
B	CYS400
B	LEU402

---

site_id	BC3
Number of Residues	17
Details	BINDING SITE FOR RESIDUE FMN B 502

Chain	Residue
B	GLY64
B	ARG65
B	GLY66
B	ALA68
B	LYS75
B	ASN92
B	ASP94
B	SER96
B	TYR180
B	GLY183
B	GLU184
B	ILE218
B	ASN219
B	ASN220
B	THR223
B	PRO401
B	LEU402

---

site_id	BC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE FES C 201

Chain	Residue
C	CYS83
C	THR85
C	SER87
C	CYS88
C	CYS124
C	LEU125
C	GLY126
C	SER127
C	CYS128

---

site_id	BC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SF4 D 801

Chain	Residue
D	HIS115
D	ASP118
D	CYS119
D	CYS122
D	CYS128
D	LEU130
D	GLN131
D	VAL232
D	GLY233

---

site_id	BC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SF4 D 802

Chain	Residue
D	CYS181
D	ILE182
D	CYS184
D	ARG186
D	CYS187
D	PHE202
D	CYS230
D	VAL232
D	ALA234
D	LEU235

---

site_id	BC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SF4 D 803

Chain	Residue
D	CYS256
D	LEU258
D	CYS259
D	VAL261
D	GLY262
D	CYS263
D	CYS291
D	PRO407
D	ILE408

---

site_id	BC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE FES D 804

Chain	Residue
D	LEU32
D	CYS34
D	SER35
D	GLY43
D	ALA44
D	CYS45
D	ARG46
D	MET47
D	CYS48
D	CYS83

---

site_id	BC9
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SF4 G 201

Chain	Residue
E	ARG84
E	HIS169
G	ALA44
G	CYS45
G	CYS46
G	GLY82
G	ARG83
G	ALA110
G	CYS111
G	CYS140
G	PRO141

---

site_id	CC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SF4 O 201

Chain	Residue
O	HIS41
O	CYS63
O	PRO64
O	ILE68
O	CYS98
O	ILE99
O	PHE100
O	CYS101
O	GLY102
O	CYS104

---

site_id	CC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SF4 O 202

Chain	Residue
O	CYS53
O	ILE54
O	GLY55
O	CYS56
O	SER57
O	CYS59
O	CYS108
O	PRO109
O	THR110
O	ALA112
O	ILE113

---

Functional Information from PROSITE/UniProt

site_id	PS00198
Number of Residues	12
Details	4FE4S_FER_1 4Fe-4S ferredoxin-type iron-sulfur binding region signature. CiGCSlCAaACP

Chain	Residue	Details
9	CYS53-PRO64
9	CYS98-PRO109

---

site_id	PS00535
Number of Residues	12
Details	COMPLEX1_49K Respiratory chain NADH dehydrogenase 49 Kd subunit signature. LHTGfEKTmEhR

Chain	Residue	Details
4	LEU62-ARG73

---

site_id	PS00542
Number of Residues	22
Details	COMPLEX1_30K Respiratory chain NADH dehydrogenase 30 Kd subunit signature. EREvyDLFgivfegHpdlRkIL

Chain	Residue	Details
5	GLU115-LEU136

---

site_id	PS00641
Number of Residues	18
Details	COMPLEX1_75K_1 Respiratory-chain NADH dehydrogenase 75 Kd subunit signature 1. PlfCSekhlspiGaCRmC

Chain	Residue	Details
3	PRO31-CYS48

---

site_id	PS00642
Number of Residues	13
Details	COMPLEX1_75K_2 Respiratory-chain NADH dehydrogenase 75 Kd subunit signature 2. CPtCDkGGaCeLQ

Chain	Residue	Details
3	CYS119-GLN131

---

site_id	PS00643
Number of Residues	11
Details	COMPLEX1_75K_3 Respiratory-chain NADH dehydrogenase 75 Kd subunit signature 3. RCIhCkRCVrY

Chain	Residue	Details
3	ARG180-TYR190

---

site_id	PS00644
Number of Residues	16
Details	COMPLEX1_51K_1 Respiratory-chain NADH dehydrogenase 51 Kd subunit signature 1. GAGAYICGEETALMNS

Chain	Residue	Details
1	GLY176-SER191

---

site_id	PS00645
Number of Residues	12
Details	COMPLEX1_51K_2 Respiratory-chain NADH dehydrogenase 51 Kd subunit signature 2. ESCGkCtPCReG

Chain	Residue	Details
1	GLU351-GLY362

---

site_id	PS00667
Number of Residues	16
Details	COMPLEX1_ND1_1 Respiratory-chain NADH dehydrogenase subunit 1 signature 1. GLLQpLaDAIKSIfKE

Chain	Residue	Details
Q	GLY55-GLU70

---

site_id	PS00668
Number of Residues	14
Details	COMPLEX1_ND1_2 Respiratory-chain NADH dehydrogenase subunit 1 signature 2. PFDLPEAEqeLVg.G

Chain	Residue	Details
Q	PRO218-GLY231

---

site_id	PS01099
Number of Residues	19
Details	COMPLEX1_24K Respiratory-chain NADH dehydrogenase 24 Kd subunit signature. DglFSvqkveCLGsChtAP

Chain	Residue	Details
2	ASP114-PRO132

---

site_id	PS01150
Number of Residues	17
Details	COMPLEX1_20K Respiratory-chain NADH dehydrogenase 20 Kd subunit signature. NvDSVVPVDVYvPgCPP

Chain	Residue	Details
6	ASN126-PRO142

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	360
Details	TRANSMEM: Helical => ECO:0000255

Chain	Residue	Details
H	TRP11-MET31
Q	TRP11-MET31
Q	PHE80-ILE100
Q	LEU120-GLY140
Q	ALA157-VAL177
Q	HIS192-ALA212
Q	PHE252-LEU272
Q	GLU273-ILE293
Q	TRP310-LEU330
Q	TYR336-PRO356
V	LEU104-TRP124
H	PHE80-ILE100
V	PHE137-ALA157
V	TYR172-PHE192
V	PRO204-LEU224
V	PRO230-ALA250
V	LEU257-ASN277
V	ALA280-SER300
V	LEU322-PHE342
V	VAL360-LEU380
V	ALA400-LEU420
T	PHE397-ALA417
H	LEU120-GLY140
T	VAL441-LEU461
T	GLY492-PHE512
T	GLY584-MET604
H	ALA157-VAL177
H	HIS192-ALA212
H	PHE252-LEU272
H	GLU273-ILE293
H	TRP310-LEU330
H	TYR336-PRO356

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01184, ECO:0000269|PubMed:16469879

Chain	Residue	Details
3	HIS115
B	ASN92
B	TYR180
B	ILE218
B	CYS353
B	CYS356
B	CYS359
B	CYS400
D	HIS115
1	TYR180
1	ILE218
1	CYS353
1	CYS356
1	CYS359
1	CYS400
B	LYS75

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01184

Chain	Residue	Details
3	CYS119
3	CYS122
3	CYS128
D	CYS119
D	CYS122
D	CYS128

---