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1KRH

X-ray Structure of Benzoate Dioxygenase Reductase

Functional Information from GO Data
ChainGOidnamespacecontents
A0008860molecular_functionferredoxin-NAD+ reductase activity
A0016491molecular_functionoxidoreductase activity
A0042203biological_processtoluene catabolic process
A0046872molecular_functionmetal ion binding
A0051536molecular_functioniron-sulfur cluster binding
A0051537molecular_function2 iron, 2 sulfur cluster binding
B0008860molecular_functionferredoxin-NAD+ reductase activity
B0016491molecular_functionoxidoreductase activity
B0042203biological_processtoluene catabolic process
B0046872molecular_functionmetal ion binding
B0051536molecular_functioniron-sulfur cluster binding
B0051537molecular_function2 iron, 2 sulfur cluster binding
Functional Information from PDB Data
site_idAC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 400
ChainResidue
ALYS210
AARG211
AASN329

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 A 401
ChainResidue
BGLY219
BTHR248
BHOH617
AARG32
AHOH655
AHOH722
AHOH723
AHOH725
BARG174

site_idAC3
Number of Residues10
DetailsBINDING SITE FOR RESIDUE SO4 A 402
ChainResidue
AARG174
AGLY219
ATHR248
AASP252
AHOH635
AHOH637
AHOH721
AHOH724
AHOH727
BARG32

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 403
ChainResidue
AARG284
BTHR153
BHOH602
BHOH603

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 404
ChainResidue
BLYS210
BARG211
BASN329

site_idAC6
Number of Residues10
DetailsBINDING SITE FOR RESIDUE FES A 500
ChainResidue
AMET39
AASP40
ACYS41
AARG42
AGLY44
AGLU45
ACYS46
AGLY47
ACYS49
ACYS83

site_idAC7
Number of Residues25
DetailsBINDING SITE FOR RESIDUE FAD A 501
ChainResidue
ATYR144
AARG156
ASER157
ATYR158
ASER159
AVAL172
AVAL173
AARG174
AGLY179
ALYS180
AMET181
ASER182
ATHR220
AGLU333
APHE335
ASER336
AALA337
AASN338
AHOH528
AHOH638
AHOH639
AHOH719
AHOH726
BARG16
BGLN34

site_idAC8
Number of Residues10
DetailsBINDING SITE FOR RESIDUE FES B 600
ChainResidue
BMET39
BASP40
BCYS41
BARG42
BGLY44
BGLU45
BCYS46
BGLY47
BCYS49
BCYS83

site_idAC9
Number of Residues27
DetailsBINDING SITE FOR RESIDUE FAD B 601
ChainResidue
BHOH611
BHOH627
AARG16
AGLN34
AHOH507
AHOH508
BTYR144
BARG156
BSER157
BTYR158
BSER159
BVAL172
BVAL173
BARG174
BVAL176
BGLY179
BLYS180
BMET181
BSER182
BTHR220
BALA223
BGLU333
BLYS334
BPHE335
BSER336
BALA337
BASN338

Functional Information from PROSITE/UniProt
site_idPS00197
Number of Residues9
Details2FE2S_FER_1 2Fe-2S ferredoxin-type iron-sulfur binding region signature. CREGECGTC
ChainResidueDetails
ACYS41-CYS49

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues190
DetailsDomain: {"description":"2Fe-2S ferredoxin-type","evidences":[{"source":"PROSITE-ProRule","id":"PRU00465","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues202
DetailsDomain: {"description":"FAD-binding FR-type","evidences":[{"source":"PROSITE-ProRule","id":"PRU00716","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues474
DetailsRegion: {"description":"Ferredoxin-reductase"}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues8
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00465","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

Catalytic Information from CSA
site_idCSA1
Number of Residues1
DetailsAnnotated By Reference To The Literature 1ndh
ChainResidueDetails
ATYR158

site_idCSA2
Number of Residues1
DetailsAnnotated By Reference To The Literature 1ndh
ChainResidueDetails
BTYR158

site_idCSA3
Number of Residues3
DetailsAnnotated By Reference To The Literature 1ndh
ChainResidueDetails
APHE335
ASER159
ACYS307

site_idCSA4
Number of Residues3
DetailsAnnotated By Reference To The Literature 1ndh
ChainResidueDetails
BPHE335
BSER159
BCYS307

249697

PDB entries from 2026-02-25

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