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3ECK

Structure of E323L Homoprotocatechuate 2,3-dioxygenase from Brevibacterium fuscum in complex with putative O-O bond cleavage intermediate formed via in crystallo reaction with 4-sulfonyl catechol at low oxygen concentrations

Functional Information from GO Data
ChainGOidnamespacecontents
A0046872molecular_functionmetal ion binding
A0051213molecular_functiondioxygenase activity
B0046872molecular_functionmetal ion binding
B0051213molecular_functiondioxygenase activity
C0046872molecular_functionmetal ion binding
C0051213molecular_functiondioxygenase activity
D0046872molecular_functionmetal ion binding
D0051213molecular_functiondioxygenase activity
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE FE2 A 500
ChainResidue
AHIS155
AHIS214
AGLU267
AHOH826
AHOH827
AHOH828

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 501
ChainResidue
AARG243
AHIS248
AARG293

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 502
ChainResidue
AILE283
ATHR284
ATRP285
AHOH504
AHOH515
AHOH727
AHOH846

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE FE2 B 500
ChainResidue
BHIS155
BHIS214
BGLU267
BHOH849
BHOH850
BHOH851

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA B 501
ChainResidue
AASP184
AGLU185
AHOH694
BASP184
BGLU185
BHOH504

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL B 502
ChainResidue
BARG243
BHIS248
BARG293

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 503
ChainResidue
BILE283
BTHR284
BTRP285
BHOH513
BHOH541
BHOH716
BHOH829

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE FE2 C 500
ChainResidue
CHIS155
CHIS214
CGLU267
CXXG502
CHOH798

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL C 501
ChainResidue
CARG243
CHIS248
CARG293
CXXG502

site_idBC1
Number of Residues17
DetailsBINDING SITE FOR RESIDUE XXG C 502
ChainResidue
CHIS155
CASN157
CTRP192
CHIS200
CHIS214
CARG243
CHIS248
CVAL250
CSER251
CTYR257
CGLU267
CTYR269
CARG292
CARG293
CFE2500
CCL501
CHOH798

site_idBC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL C 503
ChainResidue
CSER44
CTYR45
CHIS61
CGLY111
CHOH682
CHOH802
CHOH805

site_idBC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL C 504
ChainResidue
AARG236
CILE283
CTHR284
CHOH571
CHOH660
CHOH693
CHOH795

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE FE2 D 500
ChainResidue
DHIS155
DHIS214
DGLU267
DXXG502
DHOH820

site_idBC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL D 501
ChainResidue
DARG243
DHIS248
DARG293
DXXG502

site_idBC6
Number of Residues17
DetailsBINDING SITE FOR RESIDUE XXG D 502
ChainResidue
DARG292
DARG293
DFE2500
DCL501
DHOH820
DHIS155
DASN157
DTRP192
DHIS200
DHIS214
DARG243
DHIS248
DVAL250
DSER251
DTYR257
DGLU267
DTYR269

site_idBC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE GOL D 503
ChainResidue
DASP184
DASN286

site_idBC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL D 504
ChainResidue
DILE283
DTHR284
DTRP285
DHOH527
DHOH580
DHOH787
DHOH814

Catalytic Information from CSA
site_idCSA1
Number of Residues1
DetailsAnnotated By Reference To The Literature 1fro
ChainResidueDetails
AGLU267

site_idCSA2
Number of Residues1
DetailsAnnotated By Reference To The Literature 1fro
ChainResidueDetails
BGLU267

site_idCSA3
Number of Residues1
DetailsAnnotated By Reference To The Literature 1fro
ChainResidueDetails
CGLU267

site_idCSA4
Number of Residues1
DetailsAnnotated By Reference To The Literature 1fro
ChainResidueDetails
DGLU267

site_idCSA5
Number of Residues3
DetailsAnnotated By Reference To The Literature 1fro
ChainResidueDetails
ATYR257
AHIS248
AHIS200

site_idCSA6
Number of Residues3
DetailsAnnotated By Reference To The Literature 1fro
ChainResidueDetails
BTYR257
BHIS248
BHIS200

site_idCSA7
Number of Residues3
DetailsAnnotated By Reference To The Literature 1fro
ChainResidueDetails
CTYR257
CHIS248
CHIS200

site_idCSA8
Number of Residues3
DetailsAnnotated By Reference To The Literature 1fro
ChainResidueDetails
DTYR257
DHIS248
DHIS200

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PDB entries from 2024-08-14

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