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2ZPE

nitrosylated Fe-type nitrile hydratase with tert-butylisonitrile

Functional Information from GO Data
ChainGOidnamespacecontents
A0003824molecular_functioncatalytic activity
A0016829molecular_functionlyase activity
A0018822molecular_functionnitrile hydratase activity
A0046872molecular_functionmetal ion binding
A0046914molecular_functiontransition metal ion binding
A0080109molecular_functionindole-3-acetonitrile nitrile hydratase activity
B0016829molecular_functionlyase activity
B0018822molecular_functionnitrile hydratase activity
B0046914molecular_functiontransition metal ion binding
B0080109molecular_functionindole-3-acetonitrile nitrile hydratase activity
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE FE A 300
ChainResidue
ACYS109
ACSD112
ASER113
ACSO114
ANO301

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NO A 301
ChainResidue
BTB01302
ACSD112
ASER113
ACSO114
AFE300

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A1602
ChainResidue
AHOH1670
AHOH1701
AHOH1749
AHOH1769
AHOH1792
AHOH1832

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG A1603
ChainResidue
AHOH1753
AHOH1817
AHOH1925

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A1604
ChainResidue
AHOH1685
AHOH1702
AHOH1885
AHOH1928
AHOH1934
BGLU119

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A1606
ChainResidue
AGLU139
AHOH1834
AHOH1886
BHOH1740
BHOH1768
BHOH1786

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE TB0 B1302
ChainResidue
ANO301
BMET40
BVAL55
BTYR72

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG B1601
ChainResidue
BHOH1627
BHOH1685
BHOH1686
BHOH1697
BHOH1726
BHOH1734

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B1605
ChainResidue
BHOH1699
BHOH1704
BHOH1757
BHOH1812
BHOH1848

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:9586994, ECO:0007744|PDB:2AHJ
ChainResidueDetails
ACYS109
ACSD112
ASER113
ACSO114

site_idSWS_FT_FI2
Number of Residues1
DetailsMOD_RES: Cysteine sulfinic acid (-SO2H) => ECO:0000269|PubMed:9368004, ECO:0000269|PubMed:9586994
ChainResidueDetails
ACSD112

site_idSWS_FT_FI3
Number of Residues1
DetailsMOD_RES: Cysteine sulfenic acid (-SOH) => ECO:0000269|PubMed:9586994
ChainResidueDetails
ACSO114

Catalytic Information from CSA
site_idCSA1
Number of Residues1
DetailsAnnotated By Reference To The Literature 1ahj
ChainResidueDetails
BARG56

site_idMCSA1
Number of Residues3
DetailsM-CSA 57
ChainResidueDetails
BARG56electrostatic stabiliser, proton acceptor, proton donor
BTYR72proton acceptor, proton donor
BTYR76increase acidity, increase basicity
ACSO114electrofuge, metal ligand, nucleophile, proton acceptor, proton donor

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PDB entries from 2024-07-24

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