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4FAS

Complex crystal structure of hydroxylamine oxidoreductase and NE1300 from Nitrosomonas europaea

Functional Information from GO Data
ChainGOidnamespacecontents
A0016491molecular_functionoxidoreductase activity
A0019331biological_processanaerobic respiration, using ammonium as electron donor
A0020037molecular_functionheme binding
A0033740molecular_functionhydroxylamine oxidoreductase activity
A0042802molecular_functionidentical protein binding
A0044222cellular_componentanammoxosome
A0046872molecular_functionmetal ion binding
A0047991molecular_functionhydroxylamine oxidase activity
A0070207biological_processprotein homotrimerization
B0016491molecular_functionoxidoreductase activity
B0019331biological_processanaerobic respiration, using ammonium as electron donor
B0020037molecular_functionheme binding
B0033740molecular_functionhydroxylamine oxidoreductase activity
B0042802molecular_functionidentical protein binding
B0044222cellular_componentanammoxosome
B0046872molecular_functionmetal ion binding
B0047991molecular_functionhydroxylamine oxidase activity
B0070207biological_processprotein homotrimerization
C0016491molecular_functionoxidoreductase activity
C0019331biological_processanaerobic respiration, using ammonium as electron donor
C0020037molecular_functionheme binding
C0033740molecular_functionhydroxylamine oxidoreductase activity
C0042802molecular_functionidentical protein binding
C0044222cellular_componentanammoxosome
C0046872molecular_functionmetal ion binding
C0047991molecular_functionhydroxylamine oxidase activity
C0070207biological_processprotein homotrimerization
Functional Information from PDB Data
site_idAC1
Number of Residues19
DetailsBINDING SITE FOR RESIDUE HEC A 601
ChainResidue
ATYR57
AHIS149
AHIS160
AILE164
AMET166
AHEC602
AHOH798
AHOH929
CSER365
CGLU366
CARG367
ATYR64
AALA74
AASP78
ACYS79
ACYS82
AHIS83
AGLU86
ACYS145

site_idAC2
Number of Residues22
DetailsBINDING SITE FOR RESIDUE HEC A 602
ChainResidue
ATYR57
APRO60
AHIS83
ATRP90
AHIS99
AVAL143
AGLY144
ACYS145
ACYS148
AHIS149
AMET166
APRO167
ALYS238
AASP240
AARG245
AHIS246
APHE248
AHEC601
AHEC603
CHIS364
CSER365
CHOH783

site_idAC3
Number of Residues16
DetailsBINDING SITE FOR RESIDUE HEC A 603
ChainResidue
ATHR98
AHIS99
ALYS117
ALYS120
AVAL143
AVAL152
ACYS172
ACYS175
AHIS176
ACYS239
APHE248
ASER249
AALA250
AHEC602
AHEC604
AHOH914

site_idAC4
Number of Residues21
DetailsBINDING SITE FOR RESIDUE HEC A 604
ChainResidue
ATYR116
ALYS117
ACYS172
AHIS176
AGLU179
AHIS204
AASN235
ACYS239
ACYS242
AHIS243
ASER253
AARG254
AARG295
ALEU296
AMET315
AHIS323
AHEC603
AHEC605
AHOH741
AHOH847
AHOH867

site_idAC5
Number of Residues22
DetailsBINDING SITE FOR RESIDUE HEC A 605
ChainResidue
CISW601
APRO202
ASER203
AHIS204
AASP207
AALA210
ACYS232
AHIS233
AASN235
AASN241
ACYS242
ACYS259
ACYS262
AHIS263
ACYS310
AHIS314
AILE325
ATHR329
AALA332
AHEC604
AHEC606
AHOH841

site_idAC6
Number of Residues21
DetailsBINDING SITE FOR RESIDUE HEC A 606
ChainResidue
AHIS263
AASN270
ATYR274
AHIS279
ATHR309
ACYS310
ACYS313
AHIS314
ATHR329
AARG330
ATRP331
AALA332
ATRP356
AMET376
AALA458
AHIS459
AHEC605
AHOH724
AHOH797
AHOH851
CISW601

site_idAC7
Number of Residues21
DetailsBINDING SITE FOR RESIDUE HEC A 607
ChainResidue
AHIS279
ALEU282
APHE300
AASN306
AALA307
APRO308
ATHR359
ACYS360
ACYS363
AHIS364
APHE368
ATYR372
AVAL460
AHOH801
AHOH819
BTRP90
BLYS238
BASP240
BTHR244
BARG245
BHOH734

site_idAC8
Number of Residues25
DetailsBINDING SITE FOR RESIDUE ISW A 608
ChainResidue
AGLY463
ATHR466
ATYR467
AHOH717
BTRP197
BARG201
BALA210
BASN211
BTHR214
BTRP217
BGLY228
BCYS229
BCYS232
BHIS233
BCYS262
BHIS263
BHIS268
BASN333
BTYR334
BPHE428
BHEC605
BHEC606
BEDO621
BHOH765
BHOH782

site_idAC9
Number of Residues2
DetailsBINDING SITE FOR RESIDUE PEG A 609
ChainResidue
APHE63
AHOH932

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PEG A 610
ChainResidue
AHIS38
AGLY39
AHOH758

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PEG A 611
ChainResidue
AASN449
AGLU469
APRO473
AARG476

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PEG A 612
ChainResidue
ASER110
AASP112
APRO113
ALYS302
AEDO617

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PEG A 613
ChainResidue
ATYR398
AGLU399
AGLN406
ALYS407
AHOH935

site_idBC5
Number of Residues1
DetailsBINDING SITE FOR RESIDUE PEG A 614
ChainResidue
CISW601

site_idBC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PGE A 615
ChainResidue
AARG96
AASN101
ALYS104

site_idBC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 616
ChainResidue
AASP16
AALA20
AGLU24

site_idBC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 617
ChainResidue
ALYS302
APEG612
CGLY132

site_idBC9
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO A 618
ChainResidue
BALA53

site_idCC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 619
ChainResidue
ATHR215
APRO416
ALYS418

site_idCC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE HEC B 601
ChainResidue
ASER365
AGLU366
AARG367
BTYR57
BTYR64
BPRO70
BASP78
BCYS79
BCYS82
BHIS83
BGLU86
BHIS149
BHIS160
BILE164
BHEC602
BHOH710

site_idCC3
Number of Residues22
DetailsBINDING SITE FOR RESIDUE HEC B 602
ChainResidue
AHIS364
ASER365
AHOH801
BTYR57
BPRO60
BHIS83
BTRP90
BHIS99
BVAL143
BGLY144
BCYS145
BCYS148
BHIS149
BMET166
BPRO167
BLYS238
BASP240
BARG245
BHIS246
BPHE248
BHEC601
BHEC603

site_idCC4
Number of Residues15
DetailsBINDING SITE FOR RESIDUE HEC B 603
ChainResidue
BTHR98
BHIS99
BLYS117
BLYS120
BLEU121
BVAL143
BCYS172
BCYS175
BHIS176
BCYS239
BPHE248
BALA250
BHEC602
BHEC604
BHOH774

site_idCC5
Number of Residues21
DetailsBINDING SITE FOR RESIDUE HEC B 604
ChainResidue
BTYR116
BLYS117
BCYS172
BHIS176
BGLU179
BHIS204
BASN235
BCYS239
BCYS242
BHIS243
BSER253
BARG254
BARG295
BLEU296
BMET315
BHIS323
BHEC603
BHEC605
BHOH745
BHOH808
BHOH886

site_idCC6
Number of Residues23
DetailsBINDING SITE FOR RESIDUE HEC B 605
ChainResidue
AISW608
BARG201
BPRO202
BSER203
BHIS204
BASP207
BALA210
BCYS232
BHIS233
BASN235
BASN241
BCYS242
BALA258
BCYS259
BCYS262
BHIS263
BHIS314
BILE325
BTHR329
BALA332
BHEC604
BHEC606
BHOH720

site_idCC7
Number of Residues21
DetailsBINDING SITE FOR RESIDUE HEC B 606
ChainResidue
AISW608
BHIS263
BASN270
BTYR274
BHIS279
BPRO308
BTHR309
BCYS310
BCYS313
BHIS314
BTHR329
BARG330
BTRP331
BALA332
BTRP356
BMET376
BHIS459
BHEC605
BHEC607
BHOH761
BHOH881

site_idCC8
Number of Residues19
DetailsBINDING SITE FOR RESIDUE HEC B 607
ChainResidue
BLYS278
BHIS279
BLEU282
BPHE300
BTHR359
BCYS360
BCYS363
BHIS364
BPHE368
BTYR372
BVAL460
BHEC606
BHOH719
BHOH827
CLYS238
CASP240
CTHR244
CARG245
CHOH710

site_idCC9
Number of Residues24
DetailsBINDING SITE FOR RESIDUE ISW B 608
ChainResidue
BGLY463
BTHR466
BTYR467
BHOH755
CTRP197
CARG201
CALA210
CASN211
CTHR214
CTRP217
CGLY228
CCYS229
CCYS232
CHIS233
CCYS262
CHIS263
CHIS268
CASN333
CPHE428
CHEC606
CHEC607
CPEG610
CHOH711
CHOH743

site_idDC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PEG B 609
ChainResidue
BTHR98
BASN101
BLYS104

site_idDC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PEG B 610
ChainResidue
BSER3
BVAL5
BPG4614
BHOH905

site_idDC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PEG B 611
ChainResidue
BPRO51
BILE52
BPHE63

site_idDC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PEG B 612
ChainResidue
BPHE336
BTYR387
BASN391
BGLY422
BHOH837

site_idDC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE P6G B 613
ChainResidue
AVAL73
AGLU75
AGLU81
BTYR116
BGLY119
BGLU123
BHOH760
BHOH877

site_idDC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PG4 B 614
ChainResidue
ATRP94
ALYS95
BASP1
BARG17
BPEG610

site_idDC7
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO B 615
ChainResidue
BSER371

site_idDC8
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO B 616
ChainResidue
BGLU366

site_idDC9
Number of Residues2
DetailsBINDING SITE FOR RESIDUE NO3 B 617
ChainResidue
BASP16
BGLU24

site_idEC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE NO3 B 618
ChainResidue
BSER130
BGLY132

site_idEC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO B 620
ChainResidue
BGLU399
BLYS407

site_idEC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 621
ChainResidue
AISW608
BPHE424
BGLU447

site_idEC4
Number of Residues24
DetailsBINDING SITE FOR RESIDUE ISW C 601
ChainResidue
ATRP197
AARG201
AALA210
ATHR214
ATRP217
AGLY228
ACYS229
ACYS232
AHIS233
ATHR261
ACYS262
AHIS263
AHIS268
AASN333
APHE428
AHEC605
AHEC606
APEG614
AHOH721
AHOH746
CGLY463
CTHR466
CTYR467
CHOH709

site_idEC5
Number of Residues18
DetailsBINDING SITE FOR RESIDUE HEC C 602
ChainResidue
AGLU136
BSER365
BGLU366
BARG367
CTYR57
CTYR64
CSER69
CGLU72
CASP78
CCYS79
CCYS82
CHIS83
CGLU86
CHIS149
CHIS160
CHEC603
CHOH756
CHOH911

site_idEC6
Number of Residues20
DetailsBINDING SITE FOR RESIDUE HEC C 603
ChainResidue
BHIS364
BSER365
CTYR57
CPRO60
CHIS83
CTRP90
CHIS99
CVAL143
CGLY144
CCYS145
CCYS148
CHIS149
CMET166
CPRO167
CASP240
CARG245
CHIS246
CPHE248
CHEC602
CHEC604

site_idEC7
Number of Residues17
DetailsBINDING SITE FOR RESIDUE HEC C 604
ChainResidue
CTHR98
CHIS99
CLYS117
CLYS120
CLEU121
CVAL143
CVAL152
CCYS172
CCYS175
CHIS176
CCYS239
CPHE248
CSER249
CALA250
CHEC603
CHEC605
CHOH770

site_idEC8
Number of Residues22
DetailsBINDING SITE FOR RESIDUE HEC C 605
ChainResidue
CTYR116
CLYS117
CLYS120
CCYS172
CHIS176
CGLU179
CHIS204
CASN235
CCYS239
CCYS242
CHIS243
CSER253
CARG254
CARG295
CLEU296
CMET315
CHIS323
CHEC604
CHEC606
CHOH781
CHOH897
CHOH916

site_idEC9
Number of Residues21
DetailsBINDING SITE FOR RESIDUE HEC C 606
ChainResidue
BISW608
CPRO202
CSER203
CHIS204
CASP207
CALA210
CCYS232
CHIS233
CASN235
CASN241
CALA258
CCYS259
CCYS262
CHIS263
CHIS314
CILE325
CTHR329
CALA332
CHEC605
CHEC607
CHOH918

site_idFC1
Number of Residues22
DetailsBINDING SITE FOR RESIDUE HEC C 607
ChainResidue
BISW608
CHIS263
CASN270
CTYR274
CHIS279
CPRO308
CTHR309
CCYS310
CCYS313
CHIS314
CTHR329
CARG330
CTRP331
CALA332
CTRP356
CMET376
CALA458
CHIS459
CHEC606
CHEC608
CHOH730
CHOH776

site_idFC2
Number of Residues19
DetailsBINDING SITE FOR RESIDUE HEC C 608
ChainResidue
ATRP90
ALYS238
AASP240
ATHR244
AARG245
CLYS278
CHIS279
CLEU282
CPHE300
CPRO308
CCYS360
CCYS363
CHIS364
CPHE368
CTYR372
CVAL460
CHEC607
CHOH763
CHOH783

site_idFC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PEG C 609
ChainResidue
CGLY119
CGLU122
CASN126

site_idFC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PEG C 610
ChainResidue
BISW608
CPHE424
CGLU447

site_idFC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PEG C 611
ChainResidue
AARG295
ALYS297
AGLU320
CGLY132
CGLU138

site_idFC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE PEG C 612
ChainResidue
CARG76
CLYS141

site_idFC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PEG C 613
ChainResidue
CASP354
CLEU358
CTHR361
CGLU366

site_idFC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PGE C 614
ChainResidue
CARG96
CTHR98
CASN101
CLYS104
CHOH928

site_idFC9
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO C 615
ChainResidue
CALA100

site_idGC1
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO C 616
ChainResidue
CARG370

site_idGC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO C 617
ChainResidue
BLYS95
CLYS19

site_idGC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO C 618
ChainResidue
CTYR398
CGLN406
CLYS407

site_idGC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE NO3 C 619
ChainResidue
CLYS289
CTRP290

site_idGC5
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO C 620
ChainResidue
CPRO51

site_idGC6
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO C 621
ChainResidue
CALA37

site_idGC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PEG C 622
ChainResidue
CSER110
CASP112
CPRO113
CLYS302

site_idGC8
Number of Residues1
DetailsBINDING SITE FOR RESIDUE NO3 F 101
ChainResidue
FLYS25

site_idGC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PEG F 102
ChainResidue
AGLU50
FVAL30
FARG44

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues48
DetailsBINDING: covalent => ECO:0000269|PubMed:24302732, ECO:0000269|PubMed:9095195, ECO:0007744|PDB:1FGJ, ECO:0007744|PDB:4N4N, ECO:0007744|PDB:4N4O
ChainResidueDetails
ACYS229
ACYS232
ACYS239
ACYS242
ACYS259
ACYS262
ACYS310
ACYS313
ACYS360
ACYS363
BCYS79
BCYS82
BCYS145
BCYS148
BCYS172
BCYS175
BCYS229
BCYS232
BCYS239
BCYS242
BCYS259
BCYS262
BCYS310
BCYS313
BCYS360
BCYS363
CCYS79
CCYS82
CCYS145
CCYS148
CCYS172
CCYS175
CCYS229
CCYS232
CCYS239
CCYS242
CCYS259
CCYS262
CCYS310
CCYS313
CCYS360
CCYS363
ACYS79
ACYS82
ACYS145
ACYS148
ACYS172
ACYS175

site_idSWS_FT_FI2
Number of Residues45
DetailsBINDING: axial binding residue => ECO:0000269|PubMed:24302732, ECO:0000269|PubMed:9095195, ECO:0007744|PDB:1FGJ, ECO:0007744|PDB:4N4N, ECO:0007744|PDB:4N4O
ChainResidueDetails
AHIS233
AHIS243
AHIS246
AHIS263
AHIS279
AHIS314
AHIS323
AHIS364
AHIS459
BHIS83
BHIS99
BHIS149
BHIS160
BHIS176
BHIS204
BHIS233
BHIS243
BHIS246
BHIS263
BHIS279
BHIS314
BHIS323
BHIS364
BHIS459
CHIS83
CHIS99
CHIS149
CHIS160
CHIS176
CHIS204
CHIS233
CHIS243
CHIS246
CHIS263
CHIS279
CHIS314
CHIS323
CHIS364
CHIS459
AHIS160
AHIS83
AHIS99
AHIS149
AHIS176
AHIS204

site_idSWS_FT_FI3
Number of Residues3
DetailsBINDING: BINDING => ECO:0000269|PubMed:24302732, ECO:0007744|PDB:4N4O
ChainResidueDetails
AHIS268
BHIS268
CHIS268

site_idSWS_FT_FI4
Number of Residues3
DetailsBINDING: covalent; ligand shared between tetrameric partners => ECO:0000269|PubMed:24302732
ChainResidueDetails
ATYR467
BTYR467
CTYR467

Catalytic Information from CSA
site_idMCSA1
Number of Residues5
DetailsM-CSA 581
ChainResidueDetails
AHIS233electrostatic stabiliser
AASP267steric role
AHIS268steric role
ATYR334steric role
ATYR467activator, covalently attached

site_idMCSA2
Number of Residues5
DetailsM-CSA 581
ChainResidueDetails
BHIS233electrostatic stabiliser
BASP267steric role
BHIS268steric role
BTYR334steric role
BTYR467activator, covalently attached

site_idMCSA3
Number of Residues5
DetailsM-CSA 581
ChainResidueDetails
CHIS233electrostatic stabiliser
CASP267steric role
CHIS268steric role
CTYR334steric role
CTYR467activator, covalently attached

219869

PDB entries from 2024-05-15

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