Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5Z86

azide-bound cytochrome c oxidase structure determined using the crystals exposed to 20 mM azide solution for 3 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	28
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	VAL386
A	THR31
A	PHE393
A	MET417
A	PHE425
A	GLN428
A	ARG438
A	ARG439
A	HOH727
A	HOH748
A	HOH836
A	SER34
A	ILE37
A	ARG38
A	TYR54
A	VAL58
A	HIS61
A	ALA62

site_id	AC2
Number of Residues	34
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	PHE348
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	HOH735
A	HOH737
A	HOH756
A	HOH776
B	ILE34
B	PRO69

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
A	HOH893
B	GLU198
B	HOH408
B	HOH448

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

Chain	Residue
A	GLU40
A	GLY45
A	SER441
A	HOH872

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	8
Details	binding site for residue AZI A 607

Chain	Residue
A	HIS240
A	TYR244
A	HIS290
A	THR309
A	HEA602
A	CU603
A	AZI606
A	HOH776

site_id	AC8
Number of Residues	14
Details	binding site for residue PGV A 608

Chain	Residue
A	HOH785
C	HIS9
C	ASN50
C	TRP57
C	TRP58
C	GLU64
C	HIS71
G	PEK101
A	PHE94
A	PRO95
A	ARG96
A	MET97
A	PHE148
A	HOH757

site_id	AC9
Number of Residues	9
Details	binding site for residue PGV A 609

Chain	Residue
A	ASN406
A	THR408
A	TRP409
D	PHE87
K	PHE9
K	HIS10
M	GLN15
M	ALA16
M	LEU19

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

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

site_id	AD2
Number of Residues	5
Details	binding site for residue EDO A 611

Chain	Residue
A	ALA120
A	ALA137
A	ALA139
A	HOH710
A	HOH818

site_id	AD3
Number of Residues	8
Details	binding site for residue EDO A 612

Chain	Residue
A	HIS256
A	THR259
A	LYS265
A	THR490
A	ASN491
A	HOH701
A	HOH716
A	HOH858

site_id	AD4
Number of Residues	2
Details	binding site for residue EDO A 613

Chain	Residue
A	TRP288
C	PGV308

site_id	AD5
Number of Residues	4
Details	binding site for residue EDO A 614

Chain	Residue
A	TYR260
A	TYR261
A	HIS395
A	HOH721

site_id	AD6
Number of Residues	1
Details	binding site for residue EDO A 615

Chain	Residue
A	THR489

site_id	AD7
Number of Residues	7
Details	binding site for residue EDO A 616

Chain	Residue
A	LYS265
A	GLU266
A	HOH704
B	THR55
F	THR68
F	ILE70
F	SER84

site_id	AD8
Number of Residues	8
Details	binding site for residue EDO A 617

Chain	Residue
A	SER335
A	ASP407
A	HOH703
A	HOH815
A	HOH890
A	HOH894
M	ILE1
M	HOH213

site_id	AD9
Number of Residues	5
Details	binding site for residue EDO A 618

Chain	Residue
A	THR484
A	VAL485
A	THR488
A	TRP494
A	HOH709

site_id	AE1
Number of Residues	8
Details	binding site for residue EDO A 620

Chain	Residue
A	ASP221
A	PRO222
A	ALA223
A	EDO621
A	HOH708
A	HOH712
A	HOH743
C	EDO312

site_id	AE2
Number of Residues	7
Details	binding site for residue EDO A 621

Chain	Residue
A	PRO131
A	ASP221
A	EDO620
A	HOH708
A	HOH714
A	HOH780
A	HOH833

site_id	AE3
Number of Residues	11
Details	binding site for residue TGL B 301

Chain	Residue
A	ASN422
A	PHE426
A	HIS429
A	PHE430
A	LEU433
B	GLY8
B	LEU28
B	SER35
B	SER36
B	HOH462
I	ARG43

site_id	AE4
Number of Residues	12
Details	binding site for residue CHD B 302

Chain	Residue
A	MET271
B	GLN59
B	GLU62
B	THR63
B	THR66
B	HOH436
B	HOH442
P	PEK309
T	ARG14
T	ARG17
T	PHE21
T	GLY22

site_id	AE5
Number of Residues	6
Details	binding site for residue CUA B 303

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

site_id	AE6
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	HOH426
B	HOH490

site_id	AE7
Number of Residues	9
Details	binding site for residue CHD C 301

Chain	Residue
A	HIS233
A	ASP300
A	THR301
A	TYR304
C	TRP99
C	HIS103
C	PGV308
C	HOH468
P	LEU127

site_id	AE8
Number of Residues	9
Details	binding site for residue DMU C 302

Chain	Residue
A	LEU110
C	MET33
C	PHE37
C	DMU311
J	SER46
J	TYR48
J	CYS49
J	LEU50
J	TRP52

site_id	AE9
Number of Residues	20
Details	binding site for residue PGV C 304

Chain	Residue
C	MET54
C	TRP58
C	VAL61
C	SER65
C	THR66
C	PHE86
C	ILE210
C	PHE214
C	ARG221
C	HIS226
C	PHE227
C	THR228
C	HIS231
C	HIS232
C	PHE233
C	GLY234
C	HOH410
C	HOH418
C	HOH436
C	HOH458

site_id	AF1
Number of Residues	16
Details	binding site for residue CDL C 305

Chain	Residue
C	THR48
C	MET51
C	MET54
C	TYR55
C	ARG59
C	ILE62
C	ARG63
C	PHE67
C	THR174
C	THR213
C	PHE220
C	LYS224
C	HIS226
C	HOH460
J	LYS8
J	PHE12

site_id	AF2
Number of Residues	6
Details	binding site for residue CHD C 306

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

site_id	AF3
Number of Residues	10
Details	binding site for residue PEK C 307

Chain	Residue
C	LYS157
C	HIS158
C	GLN161
C	TYR172
C	HOH431
G	ARG17
G	TRP36
G	CHD103
G	EDO106
N	SER279

site_id	AF4
Number of Residues	10
Details	binding site for residue PGV C 308

Chain	Residue
A	ASP298
A	EDO613
C	TRP99
C	HIS103
C	ALA107
C	CHD301
C	HOH468
H	ASN22
H	ASN24
P	DMU310

site_id	AF5
Number of Residues	7
Details	binding site for residue PEK C 309

Chain	Residue
C	ARG80
C	VAL91
C	PHE98
C	TRP240
C	VAL247
C	PHE251
T	HIS8

site_id	AF6
Number of Residues	4
Details	binding site for residue DMU C 310

Chain	Residue
C	TRP116
C	TRP258
C	TRP259
C	SER261

site_id	AF7
Number of Residues	7
Details	binding site for residue DMU C 311

Chain	Residue
C	MET33
C	ASN38
C	SER39
C	THR41
C	DMU302
J	THR37
J	TYR45

site_id	AF8
Number of Residues	5
Details	binding site for residue EDO C 312

Chain	Residue
A	EDO620
C	GLU111
C	EDO315
C	HOH442
H	HOH216

site_id	AF9
Number of Residues	2
Details	binding site for residue EDO C 313

Chain	Residue
C	MET44
C	THR48

site_id	AG1
Number of Residues	3
Details	binding site for residue EDO C 314

Chain	Residue
C	HIS3
C	HOH413
C	HOH453

site_id	AG2
Number of Residues	7
Details	binding site for residue EDO C 315

Chain	Residue
B	GLY177
C	PRO110
C	GLU111
C	EDO312
H	THR26
H	TRP68
H	TRP72

site_id	AG3
Number of Residues	1
Details	binding site for residue EDO C 316

Chain	Residue
C	SER179

site_id	AG4
Number of Residues	1
Details	binding site for residue EDO C 317

Chain	Residue
C	LEU175

site_id	AG5
Number of Residues	8
Details	binding site for residue EDO C 319

Chain	Residue
C	TRP146
C	SER150
C	HIS158
C	HOH408
F	ALA1
G	ALA13
G	ARG14
G	ARG17

site_id	AG6
Number of Residues	13
Details	binding site for residue TGL D 201

Chain	Residue
A	TRP334
A	LEU342
A	HOH705
B	THR47
D	ARG73
D	THR75
D	GLU77
D	TRP78
D	HOH343
D	HOH346
D	HOH375
I	ARG16
I	HIS20

site_id	AG7
Number of Residues	9
Details	binding site for residue EDO D 202

Chain	Residue
A	ARG38
A	ALA39
A	SER455
A	PHE459
A	HOH746
D	LEU96
D	GLU99
D	TYR104
D	HOH301

site_id	AG8
Number of Residues	5
Details	binding site for residue EDO D 203

Chain	Residue
D	PRO14
D	ASP26
E	HOH354
F	EDO104
F	HOH218

site_id	AG9
Number of Residues	3
Details	binding site for residue EDO D 204

Chain	Residue
D	LEU40
D	ASP54
D	GLU58

site_id	AH1
Number of Residues	3
Details	binding site for residue EDO D 205

Chain	Residue
D	LEU51
D	ILE53
D	LYS56

site_id	AH2
Number of Residues	2
Details	binding site for residue EDO D 206

Chain	Residue
D	LYS121
D	ASP125

site_id	AH3
Number of Residues	12
Details	binding site for residue PSC E 201

Chain	Residue
A	PHE321
A	HIS328
B	HIS52
B	ASP57
B	TRP65
E	GLU6
E	THR7
E	ASP8
E	ASP40
E	HOH326
I	ALA14
I	LEU17

site_id	AH4
Number of Residues	5
Details	binding site for residue EDO E 202

Chain	Residue
D	LYS56
E	ASN94
E	GLY97
E	SER99
E	HOH302

site_id	AH5
Number of Residues	4
Details	binding site for residue EDO E 203

Chain	Residue
E	TYR18
E	LYS21
E	GLU28
E	HOH308

site_id	AH6
Number of Residues	4
Details	binding site for residue EDO E 204

Chain	Residue
E	ASP23
E	LEU58
E	HOH307
E	HOH363

site_id	AH7
Number of Residues	2
Details	binding site for residue EDO E 205

Chain	Residue
E	ARG53
E	ARG57

site_id	AH8
Number of Residues	4
Details	binding site for residue EDO E 206

Chain	Residue
E	TYR82
E	PRO83
E	GLU102
E	HOH304

site_id	AH9
Number of Residues	4
Details	binding site for residue ZN F 101

Chain	Residue
F	CYS60
F	CYS62
F	CYS82
F	CYS85

site_id	AI1
Number of Residues	8
Details	binding site for residue EDO F 102

Chain	Residue
A	THR490
F	SER67
F	THR68
F	VAL69
F	TRP71
F	HOH222
F	HOH234
F	HOH251

site_id	AI2
Number of Residues	6
Details	binding site for residue EDO F 103

Chain	Residue
C	HIS231
C	HOH466
F	ASP9
F	GLU17
F	HOH209
F	HOH220

site_id	AI3
Number of Residues	6
Details	binding site for residue EDO F 104

Chain	Residue
D	EDO203
F	PHE72
F	GLN80
F	ARG81
F	HOH201
F	HOH218

site_id	AI4
Number of Residues	20
Details	binding site for residue PEK G 101

Chain	Residue
A	HIS151
A	VAL155
A	PGV608
C	TRP34
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	HOH222

site_id	AI5
Number of Residues	19
Details	binding site for residue CDL G 102

Chain	Residue
C	ASN125
C	LEU131
C	SER135
C	LEU138
C	TYR253
C	TRP258
G	SER27
G	CYS31
G	ASN34
G	LEU37
G	HIS38
N	ASP300
N	SER307
N	ILE311
O	ALA77
O	LEU78
O	LEU81
O	TYR85
P	PGV303

site_id	AI6
Number of Residues	14
Details	binding site for residue CHD G 103

Chain	Residue
C	PEK307
G	ARG14
G	ARG17
G	PHE21
G	GLY22
G	EDO106
G	HOH205
G	HOH206
G	HOH209
G	HOH227
N	MET271
O	GLU62
O	THR63
O	THR66

site_id	AI7
Number of Residues	4
Details	binding site for residue EDO G 104

Chain	Residue
C	PHE35
G	LYS58
G	PRO59
G	SER61

site_id	AI8
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	HOH207

site_id	AI9
Number of Residues	5
Details	binding site for residue EDO G 106

Chain	Residue
C	PEK307
F	ALA1
G	ARG17
G	CHD103
S	ASP65

site_id	AJ1
Number of Residues	4
Details	binding site for residue EDO H 101

Chain	Residue
H	ARG27
H	GLN31
H	LEU34
H	ARG38

site_id	AJ2
Number of Residues	4
Details	binding site for residue CHD J 101

Chain	Residue
J	TYR32
J	ARG33
J	THR37
J	LEU40

site_id	AJ3
Number of Residues	10
Details	binding site for residue TGL L 101

Chain	Residue
A	THR17
A	LEU20
A	PHE22
A	TRP25
A	PHE400
L	PRO12
L	SER14
L	ARG20
L	PHE29
L	SER31

site_id	AJ4
Number of Residues	6
Details	binding site for residue DMU M 101

Chain	Residue
D	TRP98
M	LEU27
M	LEU28
M	TRP32
M	TYR35
M	HIS36

site_id	AJ5
Number of Residues	28
Details	binding site for residue HEA N 601

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	GLY125
N	TRP126
N	TYR371
N	PHE377
N	HIS378
N	SER382
N	MET383
N	PHE393
N	MET417
N	PHE425
N	GLN428
N	ARG438
N	ARG439
N	TYR440
N	HOH722
N	HOH725
N	HOH804

site_id	AJ6
Number of Residues	33
Details	binding site for residue HEA N 602

Chain	Residue
N	TRP126
N	TRP236
N	VAL243
N	TYR244
N	ILE247
N	HIS290
N	HIS291
N	THR309
N	ILE312
N	THR316
N	GLY317
N	GLY352
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	AZI606
N	AZI607
N	HOH703
N	HOH710
N	HOH715
N	HOH760
N	HOH802
O	ILE34
O	PRO69

site_id	AJ7
Number of Residues	5
Details	binding site for residue CU N 603

Chain	Residue
N	HIS240
N	HIS290
N	HIS291
N	AZI606
N	AZI607

site_id	AJ8
Number of Residues	6
Details	binding site for residue MG N 604

Chain	Residue
N	HIS368
N	ASP369
N	HOH884
O	GLU198
O	HOH407
O	HOH415

site_id	AJ9
Number of Residues	4
Details	binding site for residue NA N 605

Chain	Residue
N	GLU40
N	GLY45
N	SER441
N	HOH864

site_id	AK1
Number of Residues	8
Details	binding site for residue AZI N 606

Chain	Residue
N	TRP236
N	GLY239
N	HIS240
N	VAL243
N	HIS291
N	HEA602
N	CU603
N	AZI607

site_id	AK2
Number of Residues	8
Details	binding site for residue AZI N 607

Chain	Residue
N	HIS240
N	TYR244
N	HIS290
N	THR309
N	HEA602
N	CU603
N	AZI606
N	HOH802

site_id	AK3
Number of Residues	14
Details	binding site for residue PGV N 608

Chain	Residue
N	PHE94
N	PRO95
N	ARG96
N	MET97
N	HOH720
N	HOH796
P	HIS9
P	GLY20
P	TRP57
P	TRP58
P	GLU64
P	HIS71
P	LEU79
P	GLY82

site_id	AK4
Number of Residues	10
Details	binding site for residue TGL N 609

Chain	Residue
N	TYR379
N	ASN422
N	PHE426
N	LEU433
N	HOH810
O	LEU7
O	LEU28
O	PHE32
O	SER35
V	ARG43

site_id	AK5
Number of Residues	8
Details	binding site for residue EDO N 611

Chain	Residue
N	TYR19
N	MET71
N	PRO72
N	LEU105
N	SER156
N	SER157
N	HOH701
N	HOH855

site_id	AK6
Number of Residues	7
Details	binding site for residue EDO N 612

Chain	Residue
N	PRO131
N	ASP221
N	HOH702
N	HOH718
N	HOH737
N	HOH786
N	HOH800

site_id	AK7
Number of Residues	5
Details	binding site for residue EDO N 613

Chain	Residue
N	ALA137
N	HIS138
N	ALA139
N	HOH704
N	HOH707

site_id	AK8
Number of Residues	7
Details	binding site for residue EDO N 614

Chain	Residue
N	HIS256
N	LYS265
N	THR490
N	ASN491
N	HOH765
N	HOH827
N	HOH850

site_id	AK9
Number of Residues	5
Details	binding site for residue EDO N 615

Chain	Residue
N	TYR260
N	TYR261
N	HIS395
N	TRP494
N	HOH731

site_id	AL1
Number of Residues	8
Details	binding site for residue EDO N 616

Chain	Residue
N	LEU483
N	THR484
N	VAL485
N	TRP494
N	GLY497
N	CYS498
N	HOH848
Q	TYR11

site_id	AL2
Number of Residues	7
Details	binding site for residue EDO N 617

Chain	Residue
N	ASN496
N	THR504
N	PHE505
N	GLU507
N	HOH883
S	TRP73
S	HOH245

site_id	AL3
Number of Residues	3
Details	binding site for residue EDO N 618

Chain	Residue
N	LYS265
N	THR489
Q	HOH331

site_id	AL4
Number of Residues	4
Details	binding site for residue EDO N 619

Chain	Residue
N	GLU507
P	THR5
S	PRO30
S	ASN32

site_id	AL5
Number of Residues	7
Details	binding site for residue EDO N 620

Chain	Residue
N	ARG5
N	ASN11
N	LYS13
N	ASP14
N	PRO500
N	TYR502
Y	ASN10

site_id	AL6
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	AL7
Number of Residues	8
Details	binding site for residue PSC O 302

Chain	Residue
N	PHE321
O	ILE41
O	HIS52
O	ASP57
O	TRP65
R	ASP8
R	HOH330
V	ARG10

site_id	AL8
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	HOH411
O	HOH454

site_id	AL9
Number of Residues	3
Details	binding site for residue EDO O 304

Chain	Residue
O	HOH403
O	HOH446
O	HOH468

site_id	AM1
Number of Residues	2
Details	binding site for residue EDO O 305

Chain	Residue
O	ILE67
O	HOH423

site_id	AM2
Number of Residues	8
Details	binding site for residue CHD P 301

Chain	Residue
N	HIS233
N	ASP300
N	THR301
N	TYR304
N	HOH849
P	TRP99
P	HIS103
P	PGV303

site_id	AM3
Number of Residues	6
Details	binding site for residue PEK P 302

Chain	Residue
G	TPO11
P	THR95
P	PHE98
P	TRP240
P	VAL247
P	HOH488

site_id	AM4
Number of Residues	9
Details	binding site for residue PGV P 303

Chain	Residue
G	CDL102
N	ASP298
P	THR95
P	TRP99
P	HIS103
P	ALA107
P	CHD301
P	HOH471
U	ASN22

site_id	AM5
Number of Residues	18
Details	binding site for residue PGV P 305

Chain	Residue
P	TRP58
P	VAL61
P	SER65
P	THR66
P	ILE210
P	PHE214
P	ARG221
P	HIS226
P	PHE227
P	THR228
P	HIS231
P	HIS232
P	PHE233
P	GLY234
P	HOH417
P	HOH427
P	HOH428
P	HOH481

site_id	AM6
Number of Residues	11
Details	binding site for residue CDL P 306

Chain	Residue
P	MET51
P	TYR55
P	ARG59
P	ILE62
P	ARG63
P	PHE67
P	LYS224
P	HIS226
P	HOH455
W	LYS8
W	PHE12

site_id	AM7
Number of Residues	6
Details	binding site for residue CHD P 307

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

site_id	AM8
Number of Residues	7
Details	binding site for residue DMU P 308

Chain	Residue
N	LEU110
P	MET33
P	PHE37
P	DMU311
W	SER46
W	TYR48
W	CYS49

site_id	AM9
Number of Residues	14
Details	binding site for residue PEK P 309

Chain	Residue
A	TRP275
A	SER279
B	CHD302
P	LYS157
P	HIS158
P	GLN161
P	THR168
P	TYR172
P	HOH490
S	ALA1
T	ARG17
T	PHE21
T	GLY22
T	CDL102

site_id	AN1
Number of Residues	5
Details	binding site for residue DMU P 310

Chain	Residue
C	PGV308
P	TRP116
P	TRP258
P	TRP259
P	SER261

site_id	AN2
Number of Residues	6
Details	binding site for residue DMU P 311

Chain	Residue
P	ASN38
P	SER39
P	THR41
P	DMU308
P	HOH465
W	TYR45

site_id	AN3
Number of Residues	7
Details	binding site for residue EDO P 312

Chain	Residue
P	TRP146
P	SER150
P	HIS158
P	HOH412
S	ALA1
T	ALA13
T	ARG17

site_id	AN4
Number of Residues	6
Details	binding site for residue EDO P 313

Chain	Residue
O	GLY177
P	GLU111
P	HOH421
P	HOH423
P	HOH461
P	HOH477

site_id	AN5
Number of Residues	3
Details	binding site for residue EDO P 314

Chain	Residue
P	HIS3
P	HIS70
P	HOH422

site_id	AN6
Number of Residues	9
Details	binding site for residue TGL Q 201

Chain	Residue
N	TRP334
N	PHE414
N	HOH727
O	LYS49
Q	ARG73
Q	GLU77
Q	TRP78
V	ARG16
V	HIS20

site_id	AN7
Number of Residues	3
Details	binding site for residue EDO Q 202

Chain	Residue
Q	ALA28
Q	LYS63
Q	HOH326

site_id	AN8
Number of Residues	8
Details	binding site for residue EDO Q 203

Chain	Residue
Q	TYR22
Q	ASP26
Q	HOH308
Q	HOH311
R	TRP27
R	ARG30
R	LYS31
R	ASN34

site_id	AN9
Number of Residues	1
Details	binding site for residue EDO Q 204

Chain	Residue
Q	TRP145

site_id	AO1
Number of Residues	3
Details	binding site for residue EDO R 201

Chain	Residue
R	ARG14
R	TRP15
R	TYR18

site_id	AO2
Number of Residues	4
Details	binding site for residue EDO R 202

Chain	Residue
R	VAL16
R	ASN20
R	ASP49
R	ARG53

site_id	AO3
Number of Residues	3
Details	binding site for residue EDO R 203

Chain	Residue
R	TYR18
R	LYS21
R	GLU28

site_id	AO4
Number of Residues	4
Details	binding site for residue EDO R 204

Chain	Residue
R	ASP23
R	ASP25
R	LEU58
R	HOH301

site_id	AO5
Number of Residues	2
Details	binding site for residue EDO R 205

Chain	Residue
R	ARG53
R	ARG57

site_id	AO6
Number of Residues	4
Details	binding site for residue ZN S 101

Chain	Residue
S	CYS60
S	CYS62
S	CYS82
S	CYS85

site_id	AO7
Number of Residues	8
Details	binding site for residue EDO S 102

Chain	Residue
N	THR490
N	HOH754
N	HOH844
S	SER67
S	THR68
S	VAL69
S	TRP71
S	HOH221

site_id	AO8
Number of Residues	5
Details	binding site for residue EDO S 103

Chain	Residue
S	PHE72
S	GLN80
S	ARG81
S	HOH222
S	HOH232

site_id	AO9
Number of Residues	9
Details	binding site for residue EDO S 104

Chain	Residue
N	PRO174
N	THR509
N	TYR510
N	VAL511
N	HOH767
S	ASN32
S	LEU34
S	PRO36
S	HOH203

site_id	AP1
Number of Residues	17
Details	binding site for residue PEK T 101

Chain	Residue
N	HIS151
N	VAL155
N	ALA203
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	HOH212

site_id	AP2
Number of Residues	15
Details	binding site for residue CDL T 102

Chain	Residue
A	PHE282
A	ASP300
A	SER307
A	ILE311
B	LEU81
B	TYR85
B	HOH414
P	ASN125
P	LEU127
P	PEK309
T	SER27
T	CYS31
T	ASN34
T	LEU37
T	HIS38

site_id	AP3
Number of Residues	7
Details	binding site for residue EDO T 103

Chain	Residue
P	GLY120
T	ALA46
T	PHE47
T	ILE48
T	LEU53
T	ARG54
T	HOH214

site_id	AP4
Number of Residues	6
Details	binding site for residue EDO U 101

Chain	Residue
T	TYR50
U	PHE81
U	PRO82
U	GLY83
U	LYS84
U	HOH212

site_id	AP5
Number of Residues	4
Details	binding site for residue EDO V 101

Chain	Residue
V	ASN53
V	TYR54
V	ASP55
V	GLU62

site_id	AP6
Number of Residues	4
Details	binding site for residue CHD W 101

Chain	Residue
W	TYR32
W	ARG33
W	THR37
W	LEU40

site_id	AP7
Number of Residues	5
Details	binding site for residue EDO W 102

Chain	Residue
P	ASN12
P	PRO13
W	GLY17
W	PRO19
W	HOH201

site_id	AP8
Number of Residues	11
Details	binding site for residue TGL Y 101

Chain	Residue
N	PHE2
N	THR17
N	TRP25
N	PRO106
N	PHE400
Y	PRO12
Y	PHE13
Y	ARG20
Y	MET24
Y	PHE28
Y	PHE29

site_id	AP9
Number of Residues	12
Details	binding site for residue PGV Z 101

Chain	Residue
N	ASN406
N	THR408
N	TRP409
N	HOH761
N	HOH870
N	HOH887
Q	ALA84
Q	PHE87
Z	PRO12
Z	GLN15
Z	LEU19
Z	HOH209

site_id	AQ1
Number of Residues	6
Details	binding site for residue DMU Z 102

Chain	Residue
Q	TRP98
Z	LEU27
Z	LEU28
Z	TRP32
Z	TYR35
Z	HIS36

site_id	AQ2
Number of Residues	18
Details	binding site for Di-peptide HIS N 240 and TYR N 244

Chain	Residue
N	AZI607
N	HOH802
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	HIS290
N	HEA602
N	CU603
N	AZI606

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	CYS85
S	CYS82

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	SER434-ALA446
N	LEU358-THR370
N	SER434-ALA446
A	LEU358-THR370

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	TYR244
A	HIS240

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)