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2DE2

Crystal structure of desulfurization enzyme DSZB

Functional Information from GO Data
ChainGOidnamespacecontents
A0004497molecular_functionmonooxygenase activity
A0005737cellular_componentcytoplasm
A0016787molecular_functionhydrolase activity
A0018740molecular_function2'-hydroxybiphenyl-2-sulfinate desulfinase activity
A0018896biological_processdibenzothiophene catabolic process
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT A 421
ChainResidue
AHIS166
AASP246
AARG248
AASN249

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 501
ChainResidue
AHOH511
AHOH525
AHOH549
APRO28
AGLY73
ATRP155
AGLY183
ATRP228

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 502
ChainResidue
AASP143
APRO144
ATRP145
AHOH570
AHOH627

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 503
ChainResidue
AGLY57
APRO96
ALEU97
ALEU98
APHE309
AARG316
AHOH547
AHOH548

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 504
ChainResidue
AGLU81
AGLY82
APRO86
APRO345
AASN358
AASN362
AHOH657
AHOH708
AHOH763

site_idAC6
Number of Residues10
DetailsBINDING SITE FOR RESIDUE GOL A 505
ChainResidue
ASER39
AGLY40
APHE41
AALA215
ASER216
ATRP282
AHOH630
AHOH649
AHOH660
AHOH694

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 506
ChainResidue
AASP116
AALA118
AARG120
AASN297
AHOH599
AHOH833

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 507
ChainResidue
ATYR24
AASN26
ALEU34
ASER37
AGLU38
AVAL51
AGLU193
AHOH832

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: ACT_SITE => ECO:0000305|PubMed:16891315
ChainResidueDetails
ACYS27
AARG70

site_idSWS_FT_FI2
Number of Residues3
DetailsBINDING: BINDING => ECO:0000269|PubMed:16891315, ECO:0007744|PDB:2DE3, ECO:0007744|PDB:2DE4
ChainResidueDetails
ACYS27
AHIS60
AARG70

site_idSWS_FT_FI3
Number of Residues1
DetailsSITE: May orient the sulfinate group => ECO:0000305|PubMed:16891315
ChainResidueDetails
AHIS60

Catalytic Information from CSA
site_idMCSA1
Number of Residues5
DetailsM-CSA 971
ChainResidueDetails
ASER25hydrogen bond donor
ACYS27nucleophile, proton acceptor, proton donor
AHIS60electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor
AARG70hydrogen bond donor
AGLY73electrostatic stabiliser, hydrogen bond acceptor

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PDB entries from 2024-11-06

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