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6TSI

cd1 nitrite reductase NirS with bound dihydro-heme d1

Functional Information from GO Data
ChainGOidnamespacecontents
A0009055molecular_functionelectron transfer activity
A0016491molecular_functionoxidoreductase activity
A0020037molecular_functionheme binding
A0042597cellular_componentperiplasmic space
A0046872molecular_functionmetal ion binding
A0050418molecular_functionhydroxylamine reductase activity
A0050421molecular_functionnitrite reductase (NO-forming) activity
B0009055molecular_functionelectron transfer activity
B0016491molecular_functionoxidoreductase activity
B0020037molecular_functionheme binding
B0042597cellular_componentperiplasmic space
B0046872molecular_functionmetal ion binding
B0050418molecular_functionhydroxylamine reductase activity
B0050421molecular_functionnitrite reductase (NO-forming) activity
Functional Information from PDB Data
site_idAC1
Number of Residues18
Detailsbinding site for residue HEC A 601
ChainResidue
AARG46
AILE80
ATHR84
ALEU86
AGLY87
AMET88
ATRP91
AHOH705
BGLU8
BGLN11
ACYS47
ACYS50
AHIS51
ATHR59
ALYS61
ALEU63
AARG71
ALEU79

site_idAC2
Number of Residues23
Detailsbinding site for residue DHE A 602
ChainResidue
AARG156
AHIS182
AILE183
AARG198
AARG225
ASER226
ATYR245
AALA283
AILE285
AHIS327
AARG372
APHE425
AGLY531
AHOH702
AHOH707
AHOH739
AHOH742
AHOH757
AHOH770
AHOH772
BTYR10
BGLN11
BALA13

site_idAC3
Number of Residues2
Detailsbinding site for residue PO4 A 603
ChainResidue
AHIS335
AHIS540

site_idAC4
Number of Residues4
Detailsbinding site for residue PO4 A 604
ChainResidue
AGLY420
AGLY421
AASN442
AHOH760

site_idAC5
Number of Residues4
Detailsbinding site for residue PO4 A 605
ChainResidue
AARG156
ATYR179
AHOH701
BHOH728

site_idAC6
Number of Residues2
Detailsbinding site for residue CL A 606
ChainResidue
AMET269
BSER265

site_idAC7
Number of Residues26
Detailsbinding site for residue DHE B 602
ChainResidue
ATYR10
AALA13
AHOH725
BARG156
BHIS182
BILE183
BARG185
BARG198
BARG225
BSER226
BTYR245
BALA283
BILE285
BHIS327
BARG372
BPHE425
BGLY531
BPHE533
BHOH702
BHOH708
BHOH714
BHOH716
BHOH719
BHOH732
BHOH735
BHOH740

site_idAC8
Number of Residues5
Detailsbinding site for residue PO4 B 603
ChainResidue
BGLY420
BGLY421
BASN442
BPRO443
BHOH747

site_idAC9
Number of Residues4
Detailsbinding site for residue PO4 B 604
ChainResidue
AHOH741
BARG156
BTYR179
BHOH706

site_idAD1
Number of Residues3
Detailsbinding site for residue CL B 605
ChainResidue
ASER265
BGLY268
BMET269

site_idAD2
Number of Residues24
Detailsbinding site for Di-peptide HEC B 601 and CYS B 50
ChainResidue
BGLY57
BALA58
BTHR59
BLYS61
BLEU63
BARG71
BLEU76
BLEU79
BILE80
BTHR84
BLEU86
BGLY87
BMET88
BTRP91
BILE109
BARG281
AGLU8
AGLN11
BARG46
BCYS47
BALA48
BGLY49
BHIS51
BGLY52

site_idAD3
Number of Residues21
Detailsbinding site for Di-peptide HEC B 601 and CYS B 47
ChainResidue
AGLU8
AGLN11
BTYR43
BARG46
BALA48
BGLY49
BCYS50
BHIS51
BTHR59
BLYS61
BLEU63
BARG71
BLEU76
BLEU79
BILE80
BTHR84
BLEU86
BGLY87
BMET88
BTRP91
BILE109

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBINDING: covalent => ECO:0000269|PubMed:9331415, ECO:0007744|PDB:1NIR
ChainResidueDetails
BCYS47
BCYS50
ACYS47
ACYS50

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: axial binding residue => ECO:0000269|PubMed:9331415, ECO:0007744|PDB:1NIR
ChainResidueDetails
BHIS51
BMET88
AMET88
AHIS51

site_idSWS_FT_FI3
Number of Residues14
DetailsBINDING: BINDING => ECO:0000269|PubMed:9331415, ECO:0007744|PDB:1NIR
ChainResidueDetails
ATYR245
AARG372
AGLN483
BARG71
BTHR84
BARG225
BSER226
BTYR245
BARG372
BGLN483
AARG225
ASER226
AARG71
ATHR84

site_idSWS_FT_FI4
Number of Residues2
DetailsBINDING: proximal binding residue => ECO:0000269|PubMed:9331415, ECO:0007744|PDB:1NIR
ChainResidueDetails
AHIS182
BHIS182

Catalytic Information from CSA
site_idMCSA1
Number of Residues6
DetailsM-CSA 903
ChainResidueDetails
ACYS47covalently attached
ACYS50covalently attached
AHIS51metal ligand
AMET88metal ligand
AHIS327electrostatic stabiliser
AHIS369electrostatic stabiliser

site_idMCSA2
Number of Residues6
DetailsM-CSA 903
ChainResidueDetails
BCYS47covalently attached
BCYS50covalently attached
BHIS51metal ligand
BMET88metal ligand
BHIS327electrostatic stabiliser
BHIS369electrostatic stabiliser

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PDB entries from 2024-06-12

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