Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5Z84

The structure of azide-bound cytochrome c oxidase determined using the crystals exposed to 20 mM azide solution for 4 days

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004129	molecular_function	cytochrome-c oxidase activity
A	0005739	cellular_component	mitochondrion
A	0005743	cellular_component	mitochondrial inner membrane
A	0005751	cellular_component	mitochondrial respiratory chain complex IV
A	0006119	biological_process	oxidative phosphorylation
A	0006123	biological_process	mitochondrial electron transport, cytochrome c to oxygen
A	0009060	biological_process	aerobic respiration
A	0015990	biological_process	electron transport coupled proton transport
A	0016020	cellular_component	membrane
A	0020037	molecular_function	heme binding
A	0045277	cellular_component	respiratory chain complex IV
A	0046872	molecular_function	metal ion binding
A	0070469	cellular_component	respirasome
B	0004129	molecular_function	cytochrome-c oxidase activity
B	0005507	molecular_function	copper ion binding
B	0005739	cellular_component	mitochondrion
B	0005743	cellular_component	mitochondrial inner membrane
B	0016020	cellular_component	membrane
B	0016491	molecular_function	oxidoreductase activity
B	0022900	biological_process	electron transport chain
B	0042773	biological_process	ATP synthesis coupled electron transport
B	0045277	cellular_component	respiratory chain complex IV
B	0046872	molecular_function	metal ion binding
B	0070469	cellular_component	respirasome
B	1902600	biological_process	proton transmembrane transport
C	0004129	molecular_function	cytochrome-c oxidase activity
C	0005739	cellular_component	mitochondrion
C	0005743	cellular_component	mitochondrial inner membrane
C	0006123	biological_process	mitochondrial electron transport, cytochrome c to oxygen
C	0008535	biological_process	respiratory chain complex IV assembly
C	0009055	molecular_function	electron transfer activity
C	0016020	cellular_component	membrane
C	0019646	biological_process	aerobic electron transport chain
C	0022904	biological_process	respiratory electron transport chain
C	0045277	cellular_component	respiratory chain complex IV
C	1902600	biological_process	proton transmembrane transport
D	0005751	cellular_component	mitochondrial respiratory chain complex IV
D	0006123	biological_process	mitochondrial electron transport, cytochrome c to oxygen
E	0005743	cellular_component	mitochondrial inner membrane
E	0005751	cellular_component	mitochondrial respiratory chain complex IV
E	0006123	biological_process	mitochondrial electron transport, cytochrome c to oxygen
F	0005740	cellular_component	mitochondrial envelope
F	0005751	cellular_component	mitochondrial respiratory chain complex IV
F	0006123	biological_process	mitochondrial electron transport, cytochrome c to oxygen
G	0005743	cellular_component	mitochondrial inner membrane
G	0005751	cellular_component	mitochondrial respiratory chain complex IV
H	0005739	cellular_component	mitochondrion
H	0005743	cellular_component	mitochondrial inner membrane
H	0006119	biological_process	oxidative phosphorylation
H	0045277	cellular_component	respiratory chain complex IV
I	0005739	cellular_component	mitochondrion
I	0005743	cellular_component	mitochondrial inner membrane
I	0006119	biological_process	oxidative phosphorylation
I	0045277	cellular_component	respiratory chain complex IV
J	0005746	cellular_component	mitochondrial respirasome
J	0005751	cellular_component	mitochondrial respiratory chain complex IV
J	0006123	biological_process	mitochondrial electron transport, cytochrome c to oxygen
K	0005746	cellular_component	mitochondrial respirasome
K	0006123	biological_process	mitochondrial electron transport, cytochrome c to oxygen
L	0005751	cellular_component	mitochondrial respiratory chain complex IV
L	0006123	biological_process	mitochondrial electron transport, cytochrome c to oxygen
M	0005751	cellular_component	mitochondrial respiratory chain complex IV
M	0006123	biological_process	mitochondrial electron transport, cytochrome c to oxygen
N	0004129	molecular_function	cytochrome-c oxidase activity
N	0005739	cellular_component	mitochondrion
N	0005743	cellular_component	mitochondrial inner membrane
N	0005751	cellular_component	mitochondrial respiratory chain complex IV
N	0006119	biological_process	oxidative phosphorylation
N	0006123	biological_process	mitochondrial electron transport, cytochrome c to oxygen
N	0009060	biological_process	aerobic respiration
N	0015990	biological_process	electron transport coupled proton transport
N	0016020	cellular_component	membrane
N	0020037	molecular_function	heme binding
N	0045277	cellular_component	respiratory chain complex IV
N	0046872	molecular_function	metal ion binding
N	0070469	cellular_component	respirasome
O	0004129	molecular_function	cytochrome-c oxidase activity
O	0005507	molecular_function	copper ion binding
O	0005739	cellular_component	mitochondrion
O	0005743	cellular_component	mitochondrial inner membrane
O	0016020	cellular_component	membrane
O	0016491	molecular_function	oxidoreductase activity
O	0022900	biological_process	electron transport chain
O	0042773	biological_process	ATP synthesis coupled electron transport
O	0045277	cellular_component	respiratory chain complex IV
O	0046872	molecular_function	metal ion binding
O	0070469	cellular_component	respirasome
O	1902600	biological_process	proton transmembrane transport
P	0004129	molecular_function	cytochrome-c oxidase activity
P	0005739	cellular_component	mitochondrion
P	0005743	cellular_component	mitochondrial inner membrane
P	0006123	biological_process	mitochondrial electron transport, cytochrome c to oxygen
P	0008535	biological_process	respiratory chain complex IV assembly
P	0009055	molecular_function	electron transfer activity
P	0016020	cellular_component	membrane
P	0019646	biological_process	aerobic electron transport chain
P	0022904	biological_process	respiratory electron transport chain
P	0045277	cellular_component	respiratory chain complex IV
P	1902600	biological_process	proton transmembrane transport
Q	0005751	cellular_component	mitochondrial respiratory chain complex IV
Q	0006123	biological_process	mitochondrial electron transport, cytochrome c to oxygen
R	0005743	cellular_component	mitochondrial inner membrane
R	0005751	cellular_component	mitochondrial respiratory chain complex IV
R	0006123	biological_process	mitochondrial electron transport, cytochrome c to oxygen
S	0005740	cellular_component	mitochondrial envelope
S	0005751	cellular_component	mitochondrial respiratory chain complex IV
S	0006123	biological_process	mitochondrial electron transport, cytochrome c to oxygen
T	0005743	cellular_component	mitochondrial inner membrane
T	0005751	cellular_component	mitochondrial respiratory chain complex IV
U	0005739	cellular_component	mitochondrion
U	0005743	cellular_component	mitochondrial inner membrane
U	0006119	biological_process	oxidative phosphorylation
U	0045277	cellular_component	respiratory chain complex IV
V	0005739	cellular_component	mitochondrion
V	0005743	cellular_component	mitochondrial inner membrane
V	0006119	biological_process	oxidative phosphorylation
V	0045277	cellular_component	respiratory chain complex IV
W	0005746	cellular_component	mitochondrial respirasome
W	0005751	cellular_component	mitochondrial respiratory chain complex IV
W	0006123	biological_process	mitochondrial electron transport, cytochrome c to oxygen
X	0005746	cellular_component	mitochondrial respirasome
X	0006123	biological_process	mitochondrial electron transport, cytochrome c to oxygen
Y	0005751	cellular_component	mitochondrial respiratory chain complex IV
Y	0006123	biological_process	mitochondrial electron transport, cytochrome c to oxygen
Z	0005751	cellular_component	mitochondrial respiratory chain complex IV
Z	0006123	biological_process	mitochondrial electron transport, cytochrome c to oxygen

Functional Information from PDB Data

site_id	AC1
Number of Residues	31
Details	binding site for residue HEA A 601

Chain	Residue
A	MET28
A	MET65
A	VAL70
A	ILE73
A	GLY125
A	TRP126
A	TYR371
A	PHE377
A	HIS378
A	SER382
A	MET383
A	THR31
A	VAL386
A	PHE393
A	MET417
A	PHE425
A	GLN428
A	ARG438
A	ARG439
A	TYR440
A	VAL465
A	HOH732
A	SER34
A	HOH736
A	HOH854
A	ILE37
A	ARG38
A	TYR54
A	VAL58
A	HIS61
A	ALA62

site_id	AC2
Number of Residues	35
Details	binding site for residue HEA A 602

Chain	Residue
A	TRP126
A	TRP236
A	VAL243
A	TYR244
A	ILE247
A	HIS290
A	HIS291
A	THR309
A	ILE312
A	THR316
A	GLY317
A	VAL320
A	GLY352
A	GLY355
A	ILE356
A	LEU358
A	ALA359
A	ASP364
A	HIS368
A	VAL373
A	HIS376
A	PHE377
A	VAL380
A	LEU381
A	ARG438
A	AZI606
A	AZI607
A	HOH707
A	HOH721
A	HOH726
A	HOH727
A	HOH809
B	ILE34
B	PRO69
B	ILE72

site_id	AC3
Number of Residues	5
Details	binding site for residue CU A 603

Chain	Residue
A	HIS240
A	HIS290
A	HIS291
A	AZI606
A	AZI607

site_id	AC4
Number of Residues	6
Details	binding site for residue MG A 604

Chain	Residue
A	HIS368
A	ASP369
B	GLU198
B	HOH417
B	HOH447
B	HOH509

site_id	AC5
Number of Residues	4
Details	binding site for residue NA A 605

Chain	Residue
A	GLU40
A	GLY45
A	SER441
A	HOH865

site_id	AC6
Number of Residues	8
Details	binding site for residue AZI A 606

Chain	Residue
A	TRP236
A	HIS240
A	VAL243
A	HIS290
A	HIS291
A	HEA602
A	CU603
A	AZI607

site_id	AC7
Number of Residues	7
Details	binding site for residue AZI A 607

Chain	Residue
A	HIS240
A	TYR244
A	HIS290
A	HEA602
A	CU603
A	AZI606
A	HOH809

site_id	AC8
Number of Residues	11
Details	binding site for residue TGL A 608

Chain	Residue
A	LEU433
A	HOH918
B	LEU7
B	LEU28
B	PHE32
B	SER35
B	LEU39
I	ARG43
A	ASN422
A	PHE426
A	PHE430

site_id	AC9
Number of Residues	17
Details	binding site for residue PGV A 609

Chain	Residue
A	PHE94
A	PRO95
A	ARG96
A	MET97
A	PHE148
A	HOH780
A	HOH793
C	HIS9
C	MET27
C	ASN50
C	MET54
C	TRP57
C	TRP58
C	GLU64
C	HIS71
C	GLY82
C	PEK304

site_id	AD1
Number of Residues	8
Details	binding site for residue PGV A 610

Chain	Residue
A	ASN406
A	THR408
A	TRP409
K	PHE9
K	HIS10
M	PRO12
M	GLN15
M	LEU19

site_id	AD2
Number of Residues	8
Details	binding site for residue EDO A 611

Chain	Residue
A	ARG5
A	ASN11
A	LYS13
A	ASP14
A	TRP81
A	PRO500
A	TYR502
L	ASN10

site_id	AD3
Number of Residues	5
Details	binding site for residue EDO A 612

Chain	Residue
A	ALA120
A	ALA137
A	ALA139
A	HOH709
A	HOH716

site_id	AD4
Number of Residues	9
Details	binding site for residue EDO A 613

Chain	Residue
A	HIS256
A	LYS265
A	THR490
A	ASN491
A	HOH755
A	HOH817
A	HOH853
A	HOH906
F	EDO102

site_id	AD5
Number of Residues	3
Details	binding site for residue EDO A 614

Chain	Residue
A	TRP288
A	TYR304
C	PGV309

site_id	AD6
Number of Residues	5
Details	binding site for residue EDO A 615

Chain	Residue
A	TYR260
A	TYR261
A	HIS395
A	HOH735
M	HOH217

site_id	AD7
Number of Residues	2
Details	binding site for residue EDO A 616

Chain	Residue
A	THR489
A	HOH749

site_id	AD8
Number of Residues	7
Details	binding site for residue EDO A 617

Chain	Residue
A	LYS265
A	GLU266
A	HOH730
A	HOH756
B	THR55
F	THR68
F	SER84

site_id	AD9
Number of Residues	7
Details	binding site for residue EDO A 618

Chain	Residue
A	SER335
A	ASP407
A	HOH702
A	HOH873
M	ILE1
M	HOH217
M	HOH219

site_id	AE1
Number of Residues	4
Details	binding site for residue EDO A 619

Chain	Residue
A	LEU483
A	THR484
A	VAL485
A	TRP494

site_id	AE2
Number of Residues	9
Details	binding site for residue EDO A 621

Chain	Residue
A	ASP221
A	PRO222
A	ALA223
A	EDO622
A	HOH706
A	HOH747
A	HOH748
A	HOH770
C	EDO312

site_id	AE3
Number of Residues	7
Details	binding site for residue EDO A 622

Chain	Residue
A	PRO131
A	ASP221
A	EDO621
A	HOH706
A	HOH713
A	HOH745
A	HOH866

site_id	AE4
Number of Residues	5
Details	binding site for residue EDO A 623

Chain	Residue
A	LEU136
A	ALA137
A	HOH712
A	HOH868
B	GLN103

site_id	AE5
Number of Residues	12
Details	binding site for residue CHD B 301

Chain	Residue
A	MET271
B	GLN59
B	GLU62
B	THR63
B	THR66
B	HOH431
B	HOH442
P	PEK307
T	ARG14
T	ARG17
T	PHE21
T	GLY22

site_id	AE6
Number of Residues	6
Details	binding site for residue CUA B 302

Chain	Residue
B	HIS161
B	CYS196
B	GLU198
B	CYS200
B	HIS204
B	MET207

site_id	AE7
Number of Residues	19
Details	binding site for residue PSC B 303

Chain	Residue
A	PHE321
A	HIS328
B	ILE41
B	HIS52
B	ASP57
B	TRP65
B	LEU68
B	HOH414
E	GLU6
E	THR7
E	ASP8
E	PHE11
E	ASP40
E	HOH338
E	HOH354
I	ARG10
I	ALA14
I	LEU17
I	HOH110

site_id	AE8
Number of Residues	8
Details	binding site for residue EDO B 304

Chain	Residue
A	TYR447
B	ALA2
B	GLN10
B	LEU136
B	PRO166
B	TYR193
B	HOH446
B	HOH485

site_id	AE9
Number of Residues	4
Details	binding site for residue EDO B 305

Chain	Residue
B	HIS102
B	GLU157
B	ASP158
B	HOH440

site_id	AF1
Number of Residues	8
Details	binding site for residue CHD C 301

Chain	Residue
A	HIS233
A	ASP300
A	THR301
A	TYR304
C	TRP99
C	HIS103
C	PGV309
P	LEU127

site_id	AF2
Number of Residues	7
Details	binding site for residue DMU C 302

Chain	Residue
C	MET33
C	PHE37
C	DMU311
J	SER46
J	TYR48
J	CYS49
J	TRP52

site_id	AF3
Number of Residues	19
Details	binding site for residue PEK C 304

Chain	Residue
A	HIS151
A	VAL155
A	PGV609
C	TYR181
C	TYR182
C	ALA184
C	PHE186
C	THR187
C	ILE188
C	PHE198
C	GLY202
C	PHE203
G	TRP62
G	THR68
G	PHE69
G	PHE70
G	HIS71
G	ASN76
G	HOH214

site_id	AF4
Number of Residues	21
Details	binding site for residue PGV C 305

Chain	Residue
C	MET51
C	MET54
C	TRP58
C	VAL61
C	SER65
C	THR66
C	HIS71
C	ILE210
C	PHE214
C	ARG221
C	HIS226
C	PHE227
C	HIS231
C	HIS232
C	PHE233
C	GLY234
C	CDL306
C	HOH424
C	HOH427
C	HOH434
C	HOH473

site_id	AF5
Number of Residues	14
Details	binding site for residue CDL C 306

Chain	Residue
C	MET51
C	TYR55
C	TRP58
C	ARG59
C	ILE62
C	ARG63
C	PHE67
C	THR213
C	LYS224
C	HIS226
C	PGV305
C	HOH435
C	HOH488
J	LYS8

site_id	AF6
Number of Residues	6
Details	binding site for residue CHD C 307

Chain	Residue
C	ARG156
C	GLN161
C	PHE164
C	PHE219
C	LEU223
J	PHE1

site_id	AF7
Number of Residues	15
Details	binding site for residue PEK C 308

Chain	Residue
C	LYS157
C	HIS158
C	GLN161
C	THR168
C	TYR172
C	HOH416
F	ALA1
F	EDO105
G	ARG17
G	TRP36
G	CHD101
N	SER279
N	CDL601
O	EDO305
O	HOH402

site_id	AF8
Number of Residues	12
Details	binding site for residue PGV C 309

Chain	Residue
A	ASP298
A	EDO614
C	THR95
C	TRP99
C	TYR102
C	HIS103
C	ALA107
C	CHD301
C	HOH402
H	ASN22
H	HOH214
P	DMU308

site_id	AF9
Number of Residues	5
Details	binding site for residue DMU C 310

Chain	Residue
C	TRP116
C	TRP258
C	TRP259
C	SER261
G	PGV103

site_id	AG1
Number of Residues	7
Details	binding site for residue DMU C 311

Chain	Residue
C	MET33
C	ASN38
C	SER39
C	MET40
C	THR41
C	DMU302
J	TYR45

site_id	AG2
Number of Residues	5
Details	binding site for residue EDO C 312

Chain	Residue
A	EDO621
C	GLU111
C	EDO316
C	HOH460
H	HOH226

site_id	AG3
Number of Residues	1
Details	binding site for residue EDO C 314

Chain	Residue
C	MET44

site_id	AG4
Number of Residues	4
Details	binding site for residue EDO C 315

Chain	Residue
C	HIS3
C	HOH412
C	HOH469
C	HOH481

site_id	AG5
Number of Residues	6
Details	binding site for residue EDO C 316

Chain	Residue
B	GLY177
C	GLU111
C	EDO312
C	HOH486
H	TRP68
H	TRP72

site_id	AG6
Number of Residues	4
Details	binding site for residue EDO C 317

Chain	Residue
C	LEU176
C	SER179
C	EDO318
G	TRP36

site_id	AG7
Number of Residues	3
Details	binding site for residue EDO C 318

Chain	Residue
C	LEU175
C	EDO317
C	HOH406

site_id	AG8
Number of Residues	8
Details	binding site for residue EDO C 320

Chain	Residue
C	TRP146
C	SER150
C	HIS158
C	HOH413
F	ALA1
G	ALA13
G	ARG14
G	ARG17

site_id	AG9
Number of Residues	18
Details	binding site for residue TGL D 201

Chain	Residue
A	TRP334
A	LEU342
A	VAL419
A	HOH705
B	ILE42
B	LYS49
B	HOH512
B	HOH513
B	HOH517
B	HOH533
D	ARG73
D	THR75
D	GLU77
D	TRP78
D	HOH318
D	HOH364
I	ARG16
I	HOH125

site_id	AH1
Number of Residues	9
Details	binding site for residue EDO D 202

Chain	Residue
A	ARG38
A	ALA39
A	SER455
A	PHE459
A	HOH821
D	LEU96
D	GLU99
D	TYR104
D	HOH304

site_id	AH2
Number of Residues	6
Details	binding site for residue EDO D 203

Chain	Residue
D	PRO14
D	ASP26
D	HOH340
E	ARG30
F	EDO104
F	HOH201

site_id	AH3
Number of Residues	4
Details	binding site for residue EDO D 204

Chain	Residue
D	ASP54
D	GLU55
D	GLU58
D	HOH303

site_id	AH4
Number of Residues	4
Details	binding site for residue EDO D 205

Chain	Residue
D	LEU51
D	ILE53
D	LYS56
E	EDO201

site_id	AH5
Number of Residues	3
Details	binding site for residue EDO D 206

Chain	Residue
D	LYS121
D	ASP125
D	TRP138

site_id	AH6
Number of Residues	2
Details	binding site for residue EDO D 207

Chain	Residue
D	LEU94
D	ILE97

site_id	AH7
Number of Residues	6
Details	binding site for residue EDO E 201

Chain	Residue
D	LYS56
D	EDO205
E	ASN94
E	GLY97
E	SER99
E	HOH315

site_id	AH8
Number of Residues	4
Details	binding site for residue EDO E 202

Chain	Residue
E	TYR18
E	LYS21
E	GLU28
E	HOH310

site_id	AH9
Number of Residues	4
Details	binding site for residue EDO E 203

Chain	Residue
E	ASP23
E	ILE24
E	HOH331
E	HOH356

site_id	AI1
Number of Residues	3
Details	binding site for residue EDO E 204

Chain	Residue
E	ARG53
E	ARG57
E	HOH334

site_id	AI2
Number of Residues	5
Details	binding site for residue EDO E 205

Chain	Residue
E	TYR82
E	PRO83
E	GLU102
E	HOH319
E	HOH357

site_id	AI3
Number of Residues	4
Details	binding site for residue ZN F 101

Chain	Residue
F	CYS60
F	CYS62
F	CYS82
F	CYS85

site_id	AI4
Number of Residues	9
Details	binding site for residue EDO F 102

Chain	Residue
A	THR490
A	EDO613
A	HOH791
F	SER67
F	THR68
F	VAL69
F	TRP71
F	HOH223
F	HOH254

site_id	AI5
Number of Residues	6
Details	binding site for residue EDO F 103

Chain	Residue
C	HIS231
C	HOH477
F	ASP9
F	GLU17
F	HOH215
F	HOH233

site_id	AI6
Number of Residues	7
Details	binding site for residue EDO F 104

Chain	Residue
D	EDO203
F	PHE72
F	GLN80
F	ARG81
F	HOH201
F	HOH205
F	HOH275

site_id	AI7
Number of Residues	5
Details	binding site for residue EDO F 105

Chain	Residue
C	PEK308
F	ALA1
G	ARG17
G	CHD101
S	ASP65

site_id	AI8
Number of Residues	13
Details	binding site for residue CHD G 101

Chain	Residue
C	PEK308
F	EDO105
G	ARG14
G	ARG17
G	PHE21
G	GLY22
G	HOH204
G	HOH211
N	MET271
N	TRP275
O	GLU62
O	THR63
O	THR66

site_id	AI9
Number of Residues	10
Details	binding site for residue PEK G 102

Chain	Residue
G	SER2
G	LYS5
G	HIS8
G	LEU19
N	CDL601
P	ARG80
P	LEU85
P	TRP240
P	VAL247
P	HOH489

site_id	AJ1
Number of Residues	11
Details	binding site for residue PGV G 103

Chain	Residue
C	DMU310
G	ALA1
G	HOH222
N	ASP298
P	THR95
P	TRP99
P	HIS103
P	LEU106
P	ALA107
P	CHD301
U	ASN22

site_id	AJ2
Number of Residues	5
Details	binding site for residue EDO G 104

Chain	Residue
C	PHE35
G	LYS58
G	PRO59
G	PHE60
G	SER61

site_id	AJ3
Number of Residues	7
Details	binding site for residue EDO G 105

Chain	Residue
C	GLY120
G	ALA46
G	PHE47
G	ILE48
G	LEU53
G	ARG54
G	HOH206

site_id	AJ4
Number of Residues	4
Details	binding site for residue EDO H 101

Chain	Residue
H	ARG27
H	GLN31
H	LEU34
H	ARG38

site_id	AJ5
Number of Residues	3
Details	binding site for residue EDO H 102

Chain	Residue
C	HOH410
H	GLY83
H	LYS84

site_id	AJ6
Number of Residues	3
Details	binding site for residue CHD J 101

Chain	Residue
J	TYR32
J	ARG33
J	THR37

site_id	AJ7
Number of Residues	3
Details	binding site for residue EDO J 102

Chain	Residue
F	GLY5
J	ASN3
J	HOH209

site_id	AJ8
Number of Residues	13
Details	binding site for residue TGL L 101

Chain	Residue
A	THR17
A	PHE22
A	TRP25
A	LEU113
A	PHE400
L	ILE11
L	PRO12
L	PHE13
L	SER14
L	ARG20
L	MET24
L	PHE29
L	EDO103

site_id	AJ9
Number of Residues	9
Details	binding site for residue DMU L 102

Chain	Residue
A	MET117
J	PHE55
L	SER31
L	ARG41
L	HIS42
L	LEU45
L	HOH201
L	HOH213
L	HOH229

site_id	AK1
Number of Residues	2
Details	binding site for residue EDO L 103

Chain	Residue
L	MET24
L	TGL101

site_id	AK2
Number of Residues	6
Details	binding site for residue DMU M 101

Chain	Residue
D	TRP98
M	LEU28
M	GLY31
M	TRP32
M	TYR35
M	HIS36

site_id	AK3
Number of Residues	15
Details	binding site for residue CDL N 601

Chain	Residue
C	ASN125
C	PEK308
G	SER27
G	CYS31
G	ASN34
G	HIS38
G	PEK102
N	ASP300
N	SER307
N	ILE311
O	ALA77
O	LEU78
O	ARG82
O	TYR85
P	CHD301

site_id	AK4
Number of Residues	33
Details	binding site for residue HEA N 602

Chain	Residue
N	MET28
N	THR31
N	SER34
N	ILE37
N	ARG38
N	TYR54
N	VAL58
N	HIS61
N	ALA62
N	MET65
N	VAL70
N	ILE73
N	GLY125
N	TRP126
N	TYR371
N	PHE377
N	HIS378
N	LEU381
N	SER382
N	MET383
N	VAL386
N	PHE393
N	MET417
N	PHE425
N	GLN428
N	ARG438
N	ARG439
N	TYR440
N	VAL465
N	MET468
N	HOH717
N	HOH729
N	HOH846

site_id	AK5
Number of Residues	37
Details	binding site for residue HEA N 603

Chain	Residue
N	TRP126
N	TRP236
N	VAL243
N	TYR244
N	ILE247
N	HIS290
N	HIS291
N	THR309
N	ILE312
N	ALA313
N	THR316
N	GLY317
N	VAL320
N	GLY352
N	LEU353
N	GLY355
N	ILE356
N	LEU358
N	ALA359
N	ASP364
N	HIS368
N	VAL373
N	HIS376
N	PHE377
N	VAL380
N	LEU381
N	ARG438
N	AZI607
N	AZI608
N	HOH709
N	HOH714
N	HOH722
N	HOH737
N	HOH814
O	ILE34
O	PRO69
O	LEU73

site_id	AK6
Number of Residues	5
Details	binding site for residue CU N 604

Chain	Residue
N	HIS240
N	HIS290
N	HIS291
N	AZI607
N	AZI608

site_id	AK7
Number of Residues	6
Details	binding site for residue MG N 605

Chain	Residue
N	HIS368
N	ASP369
O	GLU198
O	HOH410
O	HOH454
O	HOH498

site_id	AK8
Number of Residues	4
Details	binding site for residue NA N 606

Chain	Residue
N	GLU40
N	GLY45
N	SER441
N	HOH871

site_id	AK9
Number of Residues	9
Details	binding site for residue AZI N 607

Chain	Residue
N	TRP236
N	GLY239
N	HIS240
N	VAL243
N	HIS290
N	HIS291
N	HEA603
N	CU604
N	AZI608

site_id	AL1
Number of Residues	7
Details	binding site for residue AZI N 608

Chain	Residue
N	HIS240
N	TYR244
N	HIS290
N	HEA603
N	CU604
N	AZI607
N	HOH814

site_id	AL2
Number of Residues	19
Details	binding site for residue PGV N 609

Chain	Residue
N	PHE94
N	PRO95
N	ARG96
N	MET97
N	HOH774
N	HOH794
P	HIS9
P	GLY20
P	THR28
P	LEU31
P	ASN50
P	TRP57
P	TRP58
P	GLU64
P	HIS71
P	LEU79
P	GLY82
P	SER89
T	PEK102

site_id	AL3
Number of Residues	11
Details	binding site for residue TGL N 610

Chain	Residue
N	ASN422
N	PHE426
N	PHE430
N	LEU433
N	HOH905
O	LEU7
O	LEU28
O	SER35
O	HOH424
Q	TGL201
V	ARG43

site_id	AL4
Number of Residues	9
Details	binding site for residue EDO N 612

Chain	Residue
N	TYR19
N	MET71
N	PRO72
N	LEU105
N	SER156
N	SER157
N	HOH704
N	HOH798
N	HOH873

site_id	AL5
Number of Residues	7
Details	binding site for residue EDO N 613

Chain	Residue
N	PRO131
N	ASP221
N	HOH710
N	HOH730
N	HOH743
N	HOH767
N	HOH782

site_id	AL6
Number of Residues	5
Details	binding site for residue EDO N 614

Chain	Residue
N	ALA137
N	HIS138
N	ALA139
N	HOH705
N	HOH706

site_id	AL7
Number of Residues	8
Details	binding site for residue EDO N 615

Chain	Residue
N	HIS256
N	LYS265
N	THR490
N	ASN491
N	HOH778
N	HOH812
N	HOH832
S	EDO102

site_id	AL8
Number of Residues	5
Details	binding site for residue EDO N 616

Chain	Residue
N	TYR260
N	TYR261
N	HIS395
N	TRP494
N	HOH732

site_id	AL9
Number of Residues	9
Details	binding site for residue EDO N 617

Chain	Residue
N	LEU483
N	THR484
N	VAL485
N	TRP494
N	GLY497
N	CYS498
N	HOH803
N	HOH829
Q	TYR11

site_id	AM1
Number of Residues	8
Details	binding site for residue EDO N 618

Chain	Residue
N	ASN496
N	PHE505
N	GLU507
N	HOH701
N	HOH702
S	ILE57
S	TRP73
S	HOH246

site_id	AM2
Number of Residues	3
Details	binding site for residue EDO N 619

Chain	Residue
N	THR489
N	HOH723
N	HOH891

site_id	AM3
Number of Residues	6
Details	binding site for residue EDO N 620

Chain	Residue
N	GLU507
P	THR5
S	PRO30
S	ASN32
S	LEU96
S	HOH243

site_id	AM4
Number of Residues	8
Details	binding site for residue EDO N 621

Chain	Residue
N	THR509
N	TYR510
N	VAL511
N	HOH738
N	HOH864
S	ASN32
S	LEU34
S	PRO36

site_id	AM5
Number of Residues	3
Details	binding site for residue EDO N 622

Chain	Residue
N	LYS265
N	HOH707
S	SER84

site_id	AM6
Number of Residues	6
Details	binding site for residue CUA O 301

Chain	Residue
O	HIS161
O	CYS196
O	GLU198
O	CYS200
O	HIS204
O	MET207

site_id	AM7
Number of Residues	10
Details	binding site for residue PSC O 302

Chain	Residue
N	PHE321
N	ALA325
O	ILE41
O	HIS52
O	MET56
O	ASP57
O	TRP65
R	GLU6
R	ASP8
V	ARG10

site_id	AM8
Number of Residues	7
Details	binding site for residue EDO O 303

Chain	Residue
N	TYR447
O	ALA2
O	GLN10
O	PRO166
O	TYR193
O	HOH418
O	HOH464

site_id	AM9
Number of Residues	3
Details	binding site for residue EDO O 304

Chain	Residue
O	HOH413
O	HOH475
O	HOH501

site_id	AN1
Number of Residues	3
Details	binding site for residue EDO O 305

Chain	Residue
C	PEK308
O	ILE67
O	HOH402

site_id	AN2
Number of Residues	9
Details	binding site for residue CHD P 301

Chain	Residue
G	PGV103
N	HIS233
N	ASP300
N	THR301
N	TYR304
N	CDL601
N	HOH807
P	TRP99
P	HIS103

site_id	AN3
Number of Residues	20
Details	binding site for residue PGV P 303

Chain	Residue
P	MET54
P	TRP58
P	VAL61
P	SER65
P	THR66
P	HIS207
P	ILE210
P	PHE214
P	ARG221
P	HIS226
P	PHE227
P	THR228
P	HIS231
P	HIS232
P	PHE233
P	GLY234
P	HOH415
P	HOH433
P	HOH435
P	HOH475

site_id	AN4
Number of Residues	12
Details	binding site for residue CDL P 304

Chain	Residue
P	MET51
P	LEU52
P	TYR55
P	ARG59
P	ILE62
P	ARG63
P	PHE67
P	PHE220
P	LYS224
P	HIS226
P	HOH427
W	LEU31

site_id	AN5
Number of Residues	6
Details	binding site for residue CHD P 305

Chain	Residue
P	ARG156
P	GLN161
P	PHE164
P	PHE219
P	LEU223
W	PHE1

site_id	AN6
Number of Residues	8
Details	binding site for residue DMU P 306

Chain	Residue
N	LEU110
P	MET33
P	PHE37
P	DMU309
W	SER46
W	TYR48
W	CYS49
W	TRP52

site_id	AN7
Number of Residues	11
Details	binding site for residue PEK P 307

Chain	Residue
A	SER279
B	CHD301
P	LYS157
P	HIS158
P	GLN161
P	TYR172
S	ALA1
T	ARG17
T	GLY22
T	LEU23
T	CDL103

site_id	AN8
Number of Residues	5
Details	binding site for residue DMU P 308

Chain	Residue
C	PGV309
P	TRP116
P	TRP258
P	TRP259
P	SER261

site_id	AN9
Number of Residues	7
Details	binding site for residue DMU P 309

Chain	Residue
P	MET33
P	ASN38
P	SER39
P	THR41
P	ILE45
P	DMU306
W	TYR45

site_id	AO1
Number of Residues	8
Details	binding site for residue EDO P 310

Chain	Residue
P	TRP146
P	SER150
P	HIS158
P	HOH425
S	ALA1
S	SER2
T	ALA13
T	ARG17

site_id	AO2
Number of Residues	6
Details	binding site for residue EDO P 311

Chain	Residue
O	GLY177
P	GLU111
P	HOH416
P	HOH430
P	HOH464
U	HOH222

site_id	AO3
Number of Residues	3
Details	binding site for residue EDO P 312

Chain	Residue
P	HIS3
P	HIS70
P	HOH439

site_id	AO4
Number of Residues	6
Details	binding site for residue EDO P 313

Chain	Residue
P	ASN12
P	PRO13
P	HOH423
W	GLY17
W	LEU18
W	PRO19

site_id	AO5
Number of Residues	16
Details	binding site for residue TGL Q 201

Chain	Residue
N	TRP334
N	PHE414
N	ALA415
N	TGL610
N	HOH734
O	LEU39
O	ILE42
O	THR47
O	HOH461
Q	ARG73
Q	SER74
Q	THR75
Q	GLU77
Q	TRP78
V	ARG16
V	HIS20

site_id	AO6
Number of Residues	2
Details	binding site for residue EDO Q 202

Chain	Residue
Q	LYS63
R	HOH333

site_id	AO7
Number of Residues	2
Details	binding site for residue EDO Q 203

Chain	Residue
Q	GLU144
Q	TRP145

site_id	AO8
Number of Residues	8
Details	binding site for residue EDO R 201

Chain	Residue
Q	TYR22
Q	ASP26
Q	HOH313
R	TRP27
R	ARG30
R	LYS31
R	ASN34
R	HOH312

site_id	AO9
Number of Residues	3
Details	binding site for residue EDO R 202

Chain	Residue
R	ARG14
R	TRP15
R	TYR18

site_id	AP1
Number of Residues	4
Details	binding site for residue EDO R 203

Chain	Residue
R	VAL16
R	ASN20
R	ASP49
R	ARG53

site_id	AP2
Number of Residues	4
Details	binding site for residue EDO R 204

Chain	Residue
R	TYR18
R	LYS21
R	GLU28
R	HOH301

site_id	AP3
Number of Residues	4
Details	binding site for residue EDO R 205

Chain	Residue
R	ASP23
R	ASP25
R	LEU58
R	HOH302

site_id	AP4
Number of Residues	2
Details	binding site for residue EDO R 206

Chain	Residue
R	ARG53
R	ARG57

site_id	AP5
Number of Residues	4
Details	binding site for residue ZN S 101

Chain	Residue
S	CYS60
S	CYS62
S	CYS82
S	CYS85

site_id	AP6
Number of Residues	9
Details	binding site for residue EDO S 102

Chain	Residue
N	THR490
N	EDO615
N	HOH799
N	HOH842
S	SER67
S	THR68
S	VAL69
S	TRP71
S	HOH223

site_id	AP7
Number of Residues	5
Details	binding site for residue EDO S 103

Chain	Residue
S	PHE72
S	GLN80
S	ARG81
S	HOH202
S	HOH242

site_id	AP8
Number of Residues	8
Details	binding site for residue PEK T 101

Chain	Residue
T	ALA3
T	LYS5
T	ASP7
T	CDL103
C	PHE98
C	TRP240
C	VAL247
T	SER2

site_id	AP9
Number of Residues	18
Details	binding site for residue PEK T 102

Chain	Residue
N	HIS151
N	VAL155
N	ALA203
N	PGV609
P	TYR181
P	TYR182
P	ALA184
P	PHE186
P	THR187
P	ILE188
P	PHE198
T	TRP62
T	THR68
T	PHE69
T	PHE70
T	HIS71
T	ASN76
T	HOH213

site_id	AQ1
Number of Residues	17
Details	binding site for residue CDL T 103

Chain	Residue
A	PHE282
A	ASP300
A	SER307
A	ILE311
B	LEU78
B	TYR85
P	ASN125
P	LEU127
P	LEU138
P	VAL142
P	PEK307
T	SER27
T	CYS31
T	ASN34
T	LEU37
T	HIS38
T	PEK101

site_id	AQ2
Number of Residues	6
Details	binding site for residue EDO T 104

Chain	Residue
P	GLY120
T	ALA46
T	PHE47
T	ILE48
T	LEU53
T	ARG54

site_id	AQ3
Number of Residues	6
Details	binding site for residue EDO U 101

Chain	Residue
P	THR119
T	TYR50
U	PHE81
U	PRO82
U	GLY83
U	LYS84

site_id	AQ4
Number of Residues	3
Details	binding site for residue EDO V 101

Chain	Residue
V	TYR54
V	ASP55
V	GLU62

site_id	AQ5
Number of Residues	3
Details	binding site for residue CHD W 101

Chain	Residue
W	TYR32
W	ARG33
W	THR37

site_id	AQ6
Number of Residues	15
Details	binding site for residue TGL Y 101

Chain	Residue
N	THR17
N	LEU21
N	PHE22
N	TRP25
N	PRO106
N	LEU113
N	PHE400
N	SER401
Y	PRO12
Y	PHE13
Y	SER14
Y	ARG20
Y	MET24
Y	PHE28
Y	PHE29

site_id	AQ7
Number of Residues	15
Details	binding site for residue PGV Z 101

Chain	Residue
N	ASN406
N	THR408
N	TRP409
N	ILE412
N	HOH801
Q	ALA84
Q	PHE87
X	HIS10
Z	ALA3
Z	PRO5
Z	PRO12
Z	GLN15
Z	ALA16
Z	LEU19
Z	HOH214

site_id	AQ8
Number of Residues	8
Details	binding site for residue DMU Z 102

Chain	Residue
N	PHE459
Q	TRP98
Z	LEU27
Z	LEU28
Z	GLY31
Z	TRP32
Z	TYR35
Z	HIS36

site_id	AQ9
Number of Residues	19
Details	binding site for Di-peptide HIS N 240 and TYR N 244

Chain	Residue
N	TRP236
N	PHE238
N	GLY239
N	PRO241
N	GLU242
N	VAL243
N	ILE245
N	LEU246
N	ILE247
N	LEU248
N	ILE280
N	GLY284
N	VAL287
N	HIS290
N	HEA603
N	CU604
N	AZI607
N	AZI608
N	HOH814

Functional Information from PROSITE/UniProt

site_id	PS00077
Number of Residues	56
Details	COX1_CUB Heme-copper oxidase catalytic subunit, copper B binding region signature. WFFGHPeVyililpgfgmishivtyysgkkepfgymgmvwammsigflgfivwa.HH

Chain	Residue	Details
A	TRP236-HIS291

site_id	PS01329
Number of Residues	18
Details	COX6A Cytochrome c oxidase subunit VIa signature. IRtKpFsWGDGnHTfFhN

Chain	Residue	Details
G	ILE55-ASN72

site_id	PS00848
Number of Residues	23
Details	COX5B_1 Cytochrome c oxidase subunit Vb, zinc binding region signature. VIWfwlhkgeaqrCpsCGthYKL

Chain	Residue	Details
F	VAL69-LEU91

site_id	PS00078
Number of Residues	49
Details	COX2 CO II and nitrous oxide reductase dinuclear copper centers signature. VlHswavpslglktdaipgrlnqttlmssrpglyygq......CseiCgsnHsfM

Chain	Residue	Details
B	VAL159-MET207

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	20
Details	TOPO_DOM: Mitochondrial matrix => ECO:0000269\|PubMed:27605664

Chain	Residue	Details
M	ILE1-SER11
Z	ILE1-SER11
N	MET171-PRO182
N	SER262-GLY269
N	SER401-ASN406
N	LYS479-LYS514
F	CYS82
F	CYS85
S	CYS60
S	CYS62
S	CYS82
S	CYS85

site_id	SWS_FT_FI2
Number of Residues	46
Details	TRANSMEM: Helical => ECO:0000269\|PubMed:27605664

Chain	Residue	Details
M	PRO12-TYR35
Z	PRO12-TYR35
F	LYS90
S	LYS37
S	LYS55
S	LYS90

site_id	SWS_FT_FI3
Number of Residues	20
Details	TOPO_DOM: Mitochondrial intermembrane => ECO:0000269\|PubMed:27605664

Chain	Residue	Details
M	HIS36-ALA46
Z	HIS36-ALA46
C	ALA184-ASP190
C	TYR257-SER261
P	PHE35-MET40
P	LEU106-GLU128
P	ALA184-ASP190
P	TYR257-SER261

site_id	SWS_FT_FI4
Number of Residues	2
Details	MOD_RES: N6-succinyllysine; alternate => ECO:0000250\|UniProtKB:P17665

Chain	Residue	Details
L	LYS9
Y	LYS9
Q	LYS7
Q	LYS38

site_id	SWS_FT_FI5
Number of Residues	2
Details	MOD_RES: N6-acetyllysine => ECO:0000250\|UniProtKB:P13073

Chain	Residue	Details
B	HIS204
B	MET207
O	HIS161
O	CYS196
O	GLU198
O	CYS200
O	HIS204
O	MET207
D	LYS31
Q	LYS31
B	GLU198
B	CYS200

site_id	SWS_FT_FI6
Number of Residues	4
Details	MOD_RES: Phosphoserine => ECO:0000250\|UniProtKB:P10888

Chain	Residue	Details
D	SER34
D	SER36
Q	SER34
Q	SER36
N	ARG213-ASP227
N	VAL287-ASP298

site_id	SWS_FT_FI7
Number of Residues	2
Details	MOD_RES: N6-acetyllysine => ECO:0000250\|UniProtKB:P19783

Chain	Residue	Details
D	LYS45
Q	LYS45

site_id	SWS_FT_FI8
Number of Residues	64
Details	TRANSMEM: Helical; Name=VI => ECO:0000269\|PubMed:27605664

Chain	Residue	Details
C	GLY191-LEU223
P	GLY191-LEU223

site_id	SWS_FT_FI9
Number of Residues	46
Details	TRANSMEM: Helical; Name=VII => ECO:0000269\|PubMed:27605664

Chain	Residue	Details
C	PHE233-ILE256
P	PHE233-ILE256

site_id	SWS_FT_FI10
Number of Residues	32
Details	TRANSMEM: Helical; Name=VII => ECO:0000269\|PubMed:27605664

Chain	Residue	Details
A	TYR270-ILE286
N	TYR270-ILE286

site_id	SWS_FT_FI11
Number of Residues	56
Details	TRANSMEM: Helical; Name=VIII => ECO:0000269\|PubMed:27605664

Chain	Residue	Details
A	VAL299-LEU327
N	VAL299-LEU327

site_id	SWS_FT_FI12
Number of Residues	14
Details	TOPO_DOM: Mitochondrial matrix => ECO:0000269\|PubMed:27605664

Chain	Residue	Details
N	HIS328-SER335
A	HIS328-SER335

site_id	SWS_FT_FI13
Number of Residues	42
Details	TRANSMEM: Helical; Name=IX => ECO:0000269\|PubMed:27605664

Chain	Residue	Details
A	PRO336-VAL357
N	PRO336-VAL357

site_id	SWS_FT_FI14
Number of Residues	48
Details	TOPO_DOM: Mitochondrial intermembrane => ECO:0000269\|PubMed:27605664

Chain	Residue	Details
A	LEU358-THR370
A	SER434-ALA446
N	LEU358-THR370
N	SER434-ALA446

site_id	SWS_FT_FI15
Number of Residues	58
Details	TRANSMEM: Helical; Name=X => ECO:0000269\|PubMed:27605664

Chain	Residue	Details
A	TYR371-PHE400
N	TYR371-PHE400

site_id	SWS_FT_FI16
Number of Residues	52
Details	TRANSMEM: Helical; Name=XI => ECO:0000269\|PubMed:27605664

Chain	Residue	Details
A	ASP407-LEU433
N	ASP407-LEU433

site_id	SWS_FT_FI17
Number of Residues	62
Details	TRANSMEM: Helical; Name=XII => ECO:0000269\|PubMed:27605664

Chain	Residue	Details
A	TYR447-SER478
N	TYR447-SER478

site_id	SWS_FT_FI18
Number of Residues	6
Details	BINDING: BINDING => ECO:0000269\|PubMed:27605664, ECO:0000305\|PubMed:23537388

Chain	Residue	Details
A	SER441
N	GLU40
N	GLY45
N	SER441
A	GLU40
A	GLY45

site_id	SWS_FT_FI19
Number of Residues	6
Details	BINDING: axial binding residue => ECO:0000269\|PubMed:20385840, ECO:0000269\|PubMed:8638158

Chain	Residue	Details
N	HIS376
N	HIS378
A	HIS61
A	HIS376
A	HIS378
N	HIS61

site_id	SWS_FT_FI20
Number of Residues	10
Details	BINDING: BINDING => ECO:0000269\|PubMed:20385840, ECO:0000269\|PubMed:8638158

Chain	Residue	Details
A	ASP369
N	HIS240
N	HIS290
N	HIS291
N	HIS368
N	ASP369
A	HIS240
A	HIS290
A	HIS291
A	HIS368

site_id	SWS_FT_FI21
Number of Residues	2
Details	BINDING: BINDING => ECO:0000305

Chain	Residue	Details
A	TYR244
N	TYR244

site_id	SWS_FT_FI22
Number of Residues	2
Details	MOD_RES: N-formylmethionine => ECO:0000269\|PubMed:2165784

Chain	Residue	Details
A	FME1
N	FME1

site_id	SWS_FT_FI23
Number of Residues	4
Details	CROSSLNK: 1'-histidyl-3'-tyrosine (His-Tyr) => ECO:0000269\|PubMed:10338009

Chain	Residue	Details
N	HIS240
N	TYR244
A	HIS240
A	TYR244

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	14
Details	M-CSA 124

Chain	Residue	Details
A	HIS61	metal ligand
A	ASP91	proton acceptor, proton donor, proton relay
A	TRP126	proton acceptor, proton donor, proton relay
A	SER156	proton acceptor, proton donor, proton relay
A	SER157	proton acceptor, proton donor, proton relay
A	HIS240	covalently attached, electrostatic stabiliser, metal ligand, radical stabiliser
A	GLU242	proton acceptor, proton donor, proton relay
A	TYR244	covalently attached, hydrogen radical donor, proton acceptor, proton donor, proton relay, single electron acceptor
A	SER255	proton acceptor, proton donor, proton relay
A	HIS290	metal ligand
A	HIS291	metal ligand, proton acceptor, proton donor
A	THR316	proton acceptor, proton donor, proton relay
A	LYS319	proton acceptor, proton donor, proton relay
A	ARG438	proton acceptor, proton donor, proton relay

site_id	MCSA2
Number of Residues	14
Details	M-CSA 124

Chain	Residue	Details
N	HIS61	metal ligand
N	ASP91	proton acceptor, proton donor, proton relay
N	TRP126	proton acceptor, proton donor, proton relay
N	SER156	proton acceptor, proton donor, proton relay
N	SER157	proton acceptor, proton donor, proton relay
N	HIS240	covalently attached, electrostatic stabiliser, metal ligand, radical stabiliser
N	GLU242	proton acceptor, proton donor, proton relay
N	TYR244	covalently attached, hydrogen radical donor, proton acceptor, proton donor, proton relay, single electron acceptor
N	SER255	proton acceptor, proton donor, proton relay
N	HIS290	metal ligand
N	HIS291	metal ligand, proton acceptor, proton donor
N	THR316	proton acceptor, proton donor, proton relay
N	LYS319	proton acceptor, proton donor, proton relay
N	ARG438	proton acceptor, proton donor, proton relay

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