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4Q5C

TvNiR in complex with sulfite, middle dose data set

Functional Information from GO Data
ChainGOidnamespacecontents
A0005509molecular_functioncalcium ion binding
A0016491molecular_functionoxidoreductase activity
A0020037molecular_functionheme binding
A0042128biological_processnitrate assimilation
A0042279molecular_functionnitrite reductase (cytochrome, ammonia-forming) activity
A0042597cellular_componentperiplasmic space
A0046872molecular_functionmetal ion binding
A0097164biological_processammonium ion metabolic process
B0005509molecular_functioncalcium ion binding
B0016491molecular_functionoxidoreductase activity
B0020037molecular_functionheme binding
B0042128biological_processnitrate assimilation
B0042279molecular_functionnitrite reductase (cytochrome, ammonia-forming) activity
B0042597cellular_componentperiplasmic space
B0046872molecular_functionmetal ion binding
B0097164biological_processammonium ion metabolic process
Functional Information from PDB Data
site_idAC1
Number of Residues23
DetailsBINDING SITE FOR RESIDUE HEC A 601
ChainResidue
AHIS113
ALYS188
AARG242
ACYS299
AHIS300
ATYR303
ACYS305
AHIS361
AASN486
AHEC603
ASO3609
AALA114
AHOH702
AHOH720
AHOH830
AHOH1013
AASP125
AHIS126
AVAL129
AARG131
AALA179
ACYS184
ACYS187

site_idAC2
Number of Residues18
DetailsBINDING SITE FOR RESIDUE HEC A 602
ChainResidue
ACYS66
AHIS70
AGLN73
ALEU225
ACYS227
ACYS230
AHIS231
AALA290
AMET384
ATYR395
ATHR396
AHIS398
AHEC603
AHEC607
AACT616
AHOH824
AHOH951
AHOH1052

site_idAC3
Number of Residues22
DetailsBINDING SITE FOR RESIDUE HEC A 603
ChainResidue
ASER84
APRO116
AARG117
AHIS119
APHE121
AMET122
AASP125
ACYS187
ALYS188
AMET229
ACYS296
ACYS299
AHIS300
AHIS383
AMET384
AHEC601
AHEC602
AHEC604
AHOH704
AHOH710
AHOH741
AHOH890

site_idAC4
Number of Residues22
DetailsBINDING SITE FOR RESIDUE HEC A 604
ChainResidue
AHIS300
APHE367
AHIS372
AALA378
ACYS379
ACYS382
AHIS383
ATHR402
APRO403
AARG404
ALYS431
AASN486
APHE490
AHIS491
AHEC603
AHEC605
AHOH741
AHOH885
AHOH890
AHOH893
AHOH922
AHOH1001

site_idAC5
Number of Residues18
DetailsBINDING SITE FOR RESIDUE HEC A 605
ChainResidue
AHOH895
AHOH913
AHOH1111
AHOH1149
AASN141
ATRP142
AGLN143
AVAL371
AHIS372
APRO403
AALA410
ACYS411
ACYS414
AHIS415
ATRP418
AILE427
AHEC604
AHOH871

site_idAC6
Number of Residues22
DetailsBINDING SITE FOR RESIDUE HEC A 606
ChainResidue
ACYS14
APHE15
AHIS18
AILE21
AHIS25
AVAL33
AASN34
ACYS35
ACYS38
AHIS39
ALEU194
APHE228
APRO233
AHIS234
AARG239
APHE274
AARG276
AARG282
AHEC607
AHEC608
AHOH791
AHOH997

site_idAC7
Number of Residues19
DetailsBINDING SITE FOR RESIDUE HEC A 607
ChainResidue
ALYS29
AHIS30
AHIS37
AALA65
ACYS66
ATHR68
ACYS69
AHIS70
ACYS227
AHIS231
AALA236
AHEC602
AHEC606
AACT616
AHOH1110
AHOH1177
AHOH1224
AHOH1269
BTHR68

site_idAC8
Number of Residues27
DetailsBINDING SITE FOR RESIDUE HEC A 608
ChainResidue
AGLN13
ACYS14
ACYS17
AHIS18
AHIS39
AHIS44
AVAL45
AALA48
ASER49
ASER50
AARG52
AMET53
AARG56
APRO57
ATHR59
ALEU194
AGLN275
AARG276
AHEC606
AHOH780
AHOH873
AHOH880
AHOH933
AHOH997
AHOH1119
AHOH1228
AHOH1249

site_idAC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO3 A 609
ChainResidue
APHE109
AARG131
ATYR303
AGLN360
AHIS361
AHEC601
AHOH781
AHOH1013

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 610
ChainResidue
AGLU302
ATYR303
ALYS358
AGLN360
AHOH750
AHOH805

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MPD A 611
ChainResidue
AARG87
AGLN138
APHE139
ATRP142
AARG497
AHOH928

site_idBC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO3 A 612
ChainResidue
AHIS18
ATHR19
AGLN20
AILE21
APHE274
AHOH997
AHOH1244

site_idBC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT A 613
ChainResidue
ATYR198
ALYS271
AHOH841
AHOH1239

site_idBC5
Number of Residues13
DetailsBINDING SITE FOR RESIDUE TRS A 614
ChainResidue
AMET99
AMET99
ALYS102
ALYS102
AHOH891
AHOH891
AHOH891
AHOH929
AHOH929
AHOH929
AHOH1019
AHOH1019
AHOH1019

site_idBC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO3 A 615
ChainResidue
ASER50
AARG51
BARG252
BLEU254
BGLU341
BHOH822
BHOH986
BHOH1291

site_idBC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT A 616
ChainResidue
AHIS70
AHEC602
AHEC607
AHOH1177
AHOH1279
BTHR68
BHOH792

site_idBC8
Number of Residues22
DetailsBINDING SITE FOR RESIDUE HEC B 601
ChainResidue
BHIS113
BALA114
BASP125
BHIS126
BVAL129
BARG131
BCYS184
BCYS187
BLYS188
BARG242
BCYS299
BHIS300
BTYR303
BCYS305
BHIS361
BASN486
BHEC603
BSO3610
BHOH725
BHOH743
BHOH854
BHOH1038

site_idBC9
Number of Residues17
DetailsBINDING SITE FOR RESIDUE HEC B 602
ChainResidue
BCYS66
BHIS70
BGLN73
BLEU225
BCYS227
BCYS230
BHIS231
BMET384
BTYR395
BTHR396
BHIS398
BHEC603
BHEC607
BACT609
BHOH848
BHOH976
BHOH1077

site_idCC1
Number of Residues22
DetailsBINDING SITE FOR RESIDUE HEC B 603
ChainResidue
BSER84
BPRO116
BARG117
BHIS119
BPHE121
BMET122
BASP125
BCYS187
BLYS188
BMET229
BCYS296
BCYS299
BHIS300
BHIS383
BMET384
BHEC601
BHEC602
BHEC604
BHOH727
BHOH733
BHOH764
BHOH914

site_idCC2
Number of Residues21
DetailsBINDING SITE FOR RESIDUE HEC B 604
ChainResidue
BHIS300
BPHE367
BHIS372
BALA378
BCYS379
BCYS382
BHIS383
BTHR402
BARG404
BLYS431
BASN486
BPHE490
BHIS491
BHEC603
BHEC605
BHOH764
BHOH909
BHOH914
BHOH917
BHOH947
BHOH1026

site_idCC3
Number of Residues18
DetailsBINDING SITE FOR RESIDUE HEC B 605
ChainResidue
BASN141
BTRP142
BGLN143
BVAL371
BHIS372
BASN375
BPRO403
BALA410
BCYS411
BCYS414
BHIS415
BTRP418
BILE427
BHEC604
BHOH895
BHOH937
BHOH1135
BHOH1173

site_idCC4
Number of Residues24
DetailsBINDING SITE FOR RESIDUE HEC B 606
ChainResidue
BCYS14
BPHE15
BHIS18
BILE21
BHIS25
BVAL33
BASN34
BCYS35
BCYS38
BHIS39
BTHR59
BILE193
BLEU194
BPHE228
BPRO233
BHIS234
BARG239
BPHE274
BARG276
BARG282
BHEC607
BHEC608
BHOH814
BHOH1022

site_idCC5
Number of Residues20
DetailsBINDING SITE FOR RESIDUE HEC B 607
ChainResidue
ATHR68
BLYS29
BHIS30
BHIS37
BALA65
BCYS66
BTHR68
BCYS69
BHIS70
BCYS227
BHIS231
BALA236
BHEC602
BHEC606
BACT609
BHOH710
BHOH1134
BHOH1201
BHOH1257
BHOH1272

site_idCC6
Number of Residues27
DetailsBINDING SITE FOR RESIDUE HEC B 608
ChainResidue
BGLN13
BCYS14
BCYS17
BHIS18
BHIS39
BHIS44
BVAL45
BALA48
BSER49
BARG51
BARG51
BARG52
BMET53
BARG56
BPRO57
BTHR59
BLEU194
BGLN275
BARG276
BHEC606
BHOH803
BHOH897
BHOH904
BHOH958
BHOH1022
BHOH1143
BHOH1286

site_idCC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT B 609
ChainResidue
ATHR68
BHIS70
BHEC602
BHEC607
BHOH720
BHOH722
BHOH1201

site_idCC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO3 B 610
ChainResidue
BPHE109
BARG131
BTYR303
BGLN360
BHIS361
BHEC601
BHOH804
BHOH1038

site_idCC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA B 611
ChainResidue
BGLU302
BTYR303
BLYS358
BGLN360
BHOH773
BHOH828

site_idDC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MPD B 612
ChainResidue
BARG87
BGLN138
BPHE139
BTRP142
BARG497
BHOH953

site_idDC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO3 B 613
ChainResidue
BHIS18
BTHR19
BGLN20
BILE21
BPHE274
BHOH922
BHOH1022

site_idDC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT B 614
ChainResidue
BTYR198
BLYS271
BHOH865

site_idDC4
Number of Residues11
DetailsBINDING SITE FOR RESIDUE TRS B 615
ChainResidue
BLYS102
BLYS102
BHOH915
BHOH915
BHOH930
BHOH954
BHOH954
BHOH954
BHOH1044
BHOH1044
BHOH1044

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues32
DetailsBINDING: covalent => ECO:0000269|PubMed:19393666, ECO:0000269|PubMed:20944237, ECO:0000269|PubMed:22281743, ECO:0007744|PDB:4L38, ECO:0007744|PDB:4L3X, ECO:0007744|PDB:4L3Y
ChainResidueDetails
ACYS14
ACYS230
ACYS296
ACYS299
ACYS379
ACYS382
ACYS411
ACYS414
BCYS14
BCYS17
BCYS35
ACYS17
BCYS38
BCYS66
BCYS69
BCYS184
BCYS187
BCYS227
BCYS230
BCYS296
BCYS299
BCYS379
ACYS35
BCYS382
BCYS411
BCYS414
ACYS38
ACYS66
ACYS69
ACYS184
ACYS187
ACYS227

site_idSWS_FT_FI2
Number of Residues28
DetailsBINDING: axial binding residue => ECO:0000269|PubMed:19393666, ECO:0000269|PubMed:20944237, ECO:0000269|PubMed:22281743, ECO:0007744|PDB:4L38, ECO:0007744|PDB:4L3X, ECO:0007744|PDB:4L3Y
ChainResidueDetails
AHIS18
AHIS372
AHIS383
AHIS398
AHIS415
AHIS491
BHIS18
BHIS30
BHIS39
BHIS44
BHIS70
AHIS30
BHIS119
BLYS188
BHIS234
BHIS300
BHIS372
BHIS383
BHIS398
BHIS415
BHIS491
AHIS39
AHIS44
AHIS70
AHIS119
ALYS188
AHIS234
AHIS300

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: axial binding residue => ECO:0000269|PubMed:19393666, ECO:0000269|PubMed:20944237, ECO:0000269|PubMed:22281743
ChainResidueDetails
AHIS231
BHIS231

site_idSWS_FT_FI4
Number of Residues8
DetailsBINDING: BINDING => ECO:0000269|PubMed:19393666, ECO:0000269|PubMed:20944237, ECO:0000269|PubMed:22281743, ECO:0007744|PDB:4L38, ECO:0007744|PDB:4L3X, ECO:0007744|PDB:4L3Y
ChainResidueDetails
AGLU302
ATYR303
ALYS358
AGLN360
BGLU302
BTYR303
BLYS358
BGLN360

site_idSWS_FT_FI5
Number of Residues4
DetailsCROSSLNK: 3'-(S-cysteinyl)-tyrosine (Tyr-Cys) => ECO:0000269|PubMed:19393666, ECO:0000269|PubMed:22281743
ChainResidueDetails
ATYR303
ACYS305
BTYR303
BCYS305

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PDB entries from 2024-07-24

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