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4L3Y

Nitrite complex of TvNiR, high dose data set (NO complex)

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
AARG242
ACYS299
AHIS300
ATYR303
ACYS305
AHIS361
AASN486
AHEC603
ANO2609
AHOH714
AALA114
AHOH800
AHOH801
AHOH806
AHOH918
AHOH1175
AASP125
AHIS126
AVAL129
AARG131
ACYS184
ACYS187
ALYS188

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
AHOH779
AHOH863
AHOH879

site_idAC3
Number of Residues21
DetailsBINDING SITE FOR RESIDUE HEC A 603
ChainResidue
ASER84
APRO116
AARG117
AHIS119
APHE121
AMET122
AASP125
ACYS187
ALYS188
AMET229
ACYS296
ACYS299
AHIS300
AHIS383
AMET384
AHEC601
AHEC604
ACA611
AHOH704
AHOH719
AHOH797

site_idAC4
Number of Residues24
DetailsBINDING SITE FOR RESIDUE HEC A 604
ChainResidue
AHIS300
APHE367
AHIS372
AVAL377
AALA378
ACYS379
ACYS382
AHIS383
ATHR402
AARG404
ALYS431
AASN486
APHE490
AHIS491
AHEC603
AHEC605
ACA611
AGOL613
AHOH797
AHOH807
AHOH908
AHOH915
AHOH987
AHOH1029

site_idAC5
Number of Residues13
DetailsBINDING SITE FOR RESIDUE HEC A 605
ChainResidue
AASN141
ATRP142
AGLN143
AHIS372
APRO403
AALA410
ACYS411
ACYS414
AHIS415
ATRP418
AILE427
AHEC604
AHOH940

site_idAC6
Number of Residues23
DetailsBINDING SITE FOR RESIDUE HEC A 606
ChainResidue
APHE15
AHIS18
AHIS25
AVAL33
AASN34
ACYS35
ACYS38
AHIS39
ATHR59
ALEU194
APHE228
APRO233
AHIS234
AARG239
APHE274
AARG276
AARG282
AHEC607
AHEC608
AHOH758
AHOH1178
AHOH1215
ACYS14

site_idAC7
Number of Residues18
DetailsBINDING SITE FOR RESIDUE HEC A 607
ChainResidue
ALYS29
AHIS30
AHIS37
AALA65
ACYS66
ATHR68
ACYS69
AHIS70
ACYS227
AHIS231
AALA236
AHEC602
AHEC606
AHOH1163
AHOH1167
AHOH1223
AHOH1282
BTHR68

site_idAC8
Number of Residues23
DetailsBINDING SITE FOR RESIDUE HEC A 608
ChainResidue
AGLN13
ACYS14
ACYS17
AHIS18
AHIS39
AHIS44
AALA48
ASER49
ASER50
AARG52
AMET53
AARG56
APRO57
ATHR59
ALEU194
AARG276
AGLY277
AHEC606
AHOH760
AHOH777
AHOH1000
AHOH1212
AHOH1217

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NO2 A 609
ChainResidue
ATYR303
AHIS361
AHEC601
AHOH916
AHOH1175

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 610
ChainResidue
AGLU302
ATYR303
ALYS358
AGLN360
AHOH866
AHOH962

site_idBC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CA A 611
ChainResidue
APRO116
AHEC603
AHEC604
AGOL613
AHOH908
AHOH925
AHOH1029

site_idBC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE MPD A 612
ChainResidue
AARG87
AVAL128
AGLN138
APHE139
ATRP142
ATYR433
AARG497
AHOH1098

site_idBC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 613
ChainResidue
AARG96
AGLU115
APRO116
AASN486
AHEC604
ACA611
AHOH807
AHOH1029
AHOH1033

site_idBC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 614
ChainResidue
AASP101
AALA110
APHE111
AGLN175
ATRP444
AILE504
ALYS508
AHOH716
AHOH935

site_idBC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 615
ChainResidue
AASP251
ALYS271
AARG322
AHOH842

site_idBC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 616
ChainResidue
ATHR351
ALYS447
AASN515
AHOH743
AHOH896
AHOH1061
AHOH1165

site_idBC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE NO2 A 617
ChainResidue
ASER212
AGLU213
AVAL214
ANO2618
AHOH819
AHOH959
AHOH1047
AHOH1106

site_idBC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NO2 A 618
ChainResidue
AVAL214
ANO2617
AHOH903
AHOH1047
AHOH1106

site_idCC1
Number of Residues24
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
BNO2609
BHOH739
BHOH827
BHOH828
BHOH833
BHOH946
BHOH1205

site_idCC2
Number of Residues17
DetailsBINDING SITE FOR RESIDUE HEC B 602
ChainResidue
BCYS66
BHIS70
BGLN73
BLEU225
BCYS227
BCYS230
BHIS231
BMET384
BTYR395
BTHR396
BHIS398
BHEC607
BHOH805
BHOH890
BHOH906
BHOH1180
BHOH1264

site_idCC3
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
BHEC604
BCA611
BHOH729
BHOH745
BHOH824
BHOH1059

site_idCC4
Number of Residues23
DetailsBINDING SITE FOR RESIDUE HEC B 604
ChainResidue
BPHE367
BHIS372
BVAL377
BALA378
BCYS379
BCYS382
BHIS383
BTHR402
BARG404
BLYS431
BASN486
BPHE490
BHIS491
BHEC603
BHEC605
BCA611
BGOL613
BHOH824
BHOH834
BHOH936
BHOH943
BHOH1016
BHOH1059

site_idCC5
Number of Residues14
DetailsBINDING SITE FOR RESIDUE HEC B 605
ChainResidue
BASN141
BTRP142
BGLN143
BVAL371
BHIS372
BASN375
BPRO403
BALA410
BCYS411
BCYS414
BHIS415
BTRP418
BILE427
BHEC604

site_idCC6
Number of Residues21
DetailsBINDING SITE FOR RESIDUE HEC B 606
ChainResidue
BCYS14
BPHE15
BHIS18
BHIS25
BVAL33
BASN34
BCYS35
BCYS38
BHIS39
BLEU194
BPHE228
BPRO233
BHIS234
BARG239
BPHE274
BARG276
BARG282
BHEC607
BHEC608
BHOH784
BHOH1202

site_idCC7
Number of Residues19
DetailsBINDING SITE FOR RESIDUE HEC B 607
ChainResidue
ATHR68
BLYS29
BHIS30
BHIS37
BALA65
BCYS66
BTHR68
BCYS69
BHIS70
BCYS227
BHIS231
BALA236
BHEC602
BHEC606
BHOH708
BHOH1193
BHOH1197
BHOH1257
BHOH1272

site_idCC8
Number of Residues26
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
BHOH786
BHOH803
BHOH1029
BHOH1202
BHOH1255
BHOH1283

site_idCC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NO2 B 609
ChainResidue
BTYR303
BHIS361
BHEC601
BHOH944
BHOH1205

site_idDC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA B 610
ChainResidue
BGLU302
BTYR303
BLYS358
BGLN360
BHOH893
BHOH990

site_idDC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CA B 611
ChainResidue
BPRO116
BHEC603
BHEC604
BGOL613
BHOH936
BHOH953
BHOH1059

site_idDC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MPD B 612
ChainResidue
BARG87
BVAL128
BGLN138
BPHE139
BTRP142
BARG497
BHOH1128

site_idDC4
Number of Residues10
DetailsBINDING SITE FOR RESIDUE GOL B 613
ChainResidue
BARG96
BGLU115
BPRO116
BASN486
BHEC604
BCA611
BHOH830
BHOH834
BHOH1059
BHOH1063

site_idDC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 614
ChainResidue
BASP101
BALA110
BGLN175
BTRP444
BILE504
BLYS508
BHOH742
BHOH963

site_idDC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 615
ChainResidue
BTHR351
BLYS447
BASN515
BHOH769
BHOH1091
BHOH1236

site_idDC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE NO2 B 616
ChainResidue
BGLN169
BGLU213
BVAL214
BNO2617
BHOH931
BHOH1077
BHOH1136

site_idDC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE NO2 B 617
ChainResidue
BSER212
BGLU213
BVAL214
BNO2616
BHOH846
BHOH987
BHOH1077
BHOH1136

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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