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4Q5B

TvNiR in complex with sulfite, high 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 Residues24
DetailsBINDING SITE FOR RESIDUE HEC A 601
ChainResidue
AHIS113
ACYS187
ALYS188
AARG242
ACYS299
AHIS300
ATYR303
ACYS305
AHIS361
AASN486
AHEC603
AALA114
ASO3609
AHOH702
AHOH719
AHOH824
AHOH982
AASP125
AHIS126
AVAL129
AARG131
AALA132
AALA179
ACYS184

site_idAC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE HEC A 602
ChainResidue
ACYS66
AHIS70
AGLN73
ALEU225
ACYS227
ACYS230
AHIS231
AALA290
AMET384
ATYR395
ATHR396
AHIS398
AHEC607
AHOH819
AHOH931
AHOH1013

site_idAC3
Number of Residues22
DetailsBINDING SITE FOR RESIDUE HEC A 603
ChainResidue
ASER84
APRO116
AARG117
AHIS119
APHE121
AMET122
AASP125
ACYS187
ALYS188
ALEU225
AMET229
ACYS296
ACYS299
AHIS300
AHIS383
AMET384
AHEC601
AHEC604
AHOH704
AHOH709
AHOH739
AHOH875

site_idAC4
Number of Residues23
DetailsBINDING SITE FOR RESIDUE HEC A 604
ChainResidue
AHIS300
APHE367
AHIS372
AVAL377
AALA378
ACYS379
ACYS382
AHIS383
ATHR402
APRO403
AARG404
ALYS431
AASN486
APHE490
AHIS491
AHEC603
AHEC605
AHOH739
AHOH871
AHOH875
AHOH878
AHOH905
AHOH973

site_idAC5
Number of Residues17
DetailsBINDING SITE FOR RESIDUE HEC A 605
ChainResidue
AHOH880
AHOH1068
AHOH1098
AASN141
ATRP142
AGLN143
AVAL371
AHIS372
APRO403
AALA410
ACYS411
ACYS414
AHIS415
ATRP418
AILE427
APHE490
AHEC604

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
AHOH788
AHOH969

site_idAC7
Number of Residues17
DetailsBINDING SITE FOR RESIDUE HEC A 607
ChainResidue
ALYS29
AHIS30
AHIS37
AALA65
ACYS66
ATHR68
ACYS69
AHIS70
ACYS227
AHIS231
AALA236
AHEC602
AHEC606
AHOH1050
AHOH1155
BTHR68
BHOH722

site_idAC8
Number of Residues25
DetailsBINDING SITE FOR RESIDUE HEC A 608
ChainResidue
AGLN13
ACYS14
ACYS17
AHIS18
AHIS39
AHIS44
AVAL45
AALA48
ASER49
ASER50
AARG52
AMET53
AARG56
APRO57
ATHR59
ALEU194
AARG276
AHEC606
AHOH777
AHOH859
AHOH866
AHOH914
AHOH969
AHOH1053
AHOH1142

site_idAC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO3 A 609
ChainResidue
APHE109
AARG131
ATYR303
AGLN360
AHIS361
AHEC601
AHOH745
AHOH982
AHOH1076

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 610
ChainResidue
AGLU302
ATYR303
ALYS358
AGLN360
AHOH748
AHOH800

site_idBC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT A 611
ChainResidue
ATHR68
AHOH767
AHOH1110
AHOH1166
BHIS70
BLYS393
BHEC602

site_idBC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MPD A 612
ChainResidue
AARG87
AGLN138
APHE139
ATRP142
AARG497
AHOH910

site_idBC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO3 A 613
ChainResidue
AHIS18
ATHR19
AGLN20
AILE21
AHOH969
AHOH1140

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 614
ChainResidue
ATYR198
ALYS271
ATHR273
AARG282
AHOH834

site_idBC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO3 A 615
ChainResidue
ASER50
AARG51
BARG252
BGLU341
BHOH819
BHOH965
BHOH1074

site_idBC7
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
BSO3609
BHOH726
BHOH743
BHOH849
BHOH1008

site_idBC8
Number of Residues16
DetailsBINDING SITE FOR RESIDUE HEC B 602
ChainResidue
AACT611
BCYS66
BHIS70
BGLN73
BLEU225
BCYS227
BCYS230
BHIS231
BMET384
BTYR395
BTHR396
BHIS398
BHEC607
BHOH844
BHOH956
BHOH1039

site_idBC9
Number of Residues22
DetailsBINDING SITE FOR RESIDUE HEC B 603
ChainResidue
BSER84
BPRO116
BARG117
BHIS119
BPHE121
BMET122
BASP125
BCYS187
BLYS188
BLEU225
BMET229
BCYS296
BCYS299
BHIS300
BHIS383
BMET384
BHEC601
BHEC604
BHOH728
BHOH733
BHOH763
BHOH900

site_idCC1
Number of Residues23
DetailsBINDING SITE FOR RESIDUE HEC B 604
ChainResidue
BCYS296
BHIS300
BPHE367
BHIS372
BALA378
BCYS379
BCYS382
BHIS383
BTHR402
BPRO403
BARG404
BLYS431
BASN486
BPHE490
BHIS491
BHEC603
BHEC605
BHOH763
BHOH896
BHOH900
BHOH903
BHOH930
BHOH999

site_idCC2
Number of Residues15
DetailsBINDING SITE FOR RESIDUE HEC B 605
ChainResidue
BASN141
BTRP142
BGLN143
BVAL371
BHIS372
BASN375
BPRO403
BALA410
BCYS411
BCYS414
BHIS415
BTRP418
BILE427
BHEC604
BHOH1095

site_idCC3
Number of Residues23
DetailsBINDING SITE FOR RESIDUE HEC B 606
ChainResidue
BCYS14
BPHE15
BHIS18
BILE21
BHIS25
BVAL33
BASN34
BCYS35
BCYS38
BHIS39
BTHR59
BLEU194
BPHE228
BPRO233
BHIS234
BARG239
BPHE274
BARG276
BARG282
BHEC607
BHEC608
BHOH812
BHOH995

site_idCC4
Number of Residues18
DetailsBINDING SITE FOR RESIDUE HEC B 607
ChainResidue
ATHR68
AHOH1166
BLYS29
BHIS30
BHIS37
BALA65
BCYS66
BTHR68
BCYS69
BHIS70
BCYS227
BHIS231
BALA236
BHEC602
BHEC606
BHOH710
BHOH1077
BHOH1171

site_idCC5
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
BHOH801
BHOH884
BHOH891
BHOH939
BHOH995
BHOH1080
BHOH1184

site_idCC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO3 B 609
ChainResidue
BPHE109
BARG131
BTYR303
BGLN360
BHIS361
BHEC601
BHOH769
BHOH1008
BHOH1103

site_idCC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA B 610
ChainResidue
BGLU302
BTYR303
BLYS358
BGLN360
BHOH772
BHOH824

site_idCC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 611
ChainResidue
AHIS70
ALYS393
BTHR68
BHOH722
BHOH724
BHOH791

site_idCC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MPD B 612
ChainResidue
BARG87
BGLN138
BPHE139
BTRP142
BARG497
BHOH935

site_idDC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO3 B 613
ChainResidue
BHIS18
BTHR19
BGLN20
BILE21
BHOH908
BHOH995
BHOH1190

site_idDC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT B 614
ChainResidue
BTYR198
BLYS271
BHOH859

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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