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2BMR

The Crystal Structure of Nitrobenzene Dioxygenase in complex with 3- nitrotoluene

Functional Information from GO Data
ChainGOidnamespacecontents
A0005506molecular_functioniron ion binding
A0005515molecular_functionprotein binding
A0009056biological_processcatabolic process
A0044237biological_processcellular metabolic process
A0046872molecular_functionmetal ion binding
A0051213molecular_functiondioxygenase activity
A0051537molecular_function2 iron, 2 sulfur cluster binding
B0005515molecular_functionprotein binding
B0019380biological_process3-phenylpropionate catabolic process
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE FE A1441
ChainResidue
AHIS206
AHIS211
AASP360
AHOH2230
AHOH2422

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NI B1195
ChainResidue
BHOH2048
BHOH2259
BHIS14
BGLU18
BGLU160
BHOH2047

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NI B1196
ChainResidue
BHIS56
BEDO1198
BHOH2002
BHOH2013
BHOH2130

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE FES A1440
ChainResidue
ACYS79
AHIS81
AARG82
ACYS99
ATYR101
AHIS102
ATRP104

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE 3NT A1442
ChainResidue
AASN199
APHE200
AASP203
AASN258
APHE293
AASN295
AHOH2422

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A1443
ChainResidue
APRO47
ASER48
AASP51
AHOH2048
AHOH2423
BARG78
BTYR79
BGLN80

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A1444
ChainResidue
ALYS30
AARG35
AASP151
ASER425
AHOH2424

site_idAC8
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A1445
ChainResidue
AVAL53
ALYS54
AGLU90
APRO184
ALYS186
AEOH1446
AEOH1447
BGLU70
BARG183

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B1197
ChainResidue
BTYR88
BGLN102
BLEU191
BVAL192
BPHE193
BHOH2296
BHOH2297

site_idBC1
Number of Residues11
DetailsBINDING SITE FOR RESIDUE EDO B1198
ChainResidue
ATYR174
BMET2
BASN4
BGLU7
BHIS56
BNI1196
BHOH2002
BHOH2013
BHOH2130
BHOH2298
BHOH2299

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B1199
ChainResidue
BTHR35
BVAL120
BASN122
BHOH2300

site_idBC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EOH A1446
ChainResidue
AVAL53
APRO183
APRO184
ATYR327
AEDO1445
AHOH2323
BGLU70
BHOH2160

site_idBC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EOH A1447
ChainResidue
ALYS54
ALYS56
AGLU61
AGLU90
ALYS186
ATRP325
AEDO1445
BGLU149
BHOH2241

site_idBC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EOH A1448
ChainResidue
ASER141
APHE142
AHIS143
AHOH2179
AHOH2425
BGLU17

site_idBC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EOH A1449
ChainResidue
AHOH2050
BASN111
BHOH2205
AHIS88
AALA89

site_idBC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EOH A1450
ChainResidue
AGLU153
AALA154
APRO155
AGLU431
AHOH2409
BGLN80

site_idBC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EOH B1200
ChainResidue
BLEU71
BPRO112
BLYS113
BALA146
BARG147
BARG148

site_idBC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EOH B1201
ChainResidue
BARG115
BPHE116
BTHR158
BHOH2215
BHOH2302

site_idCC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EOH B1202
ChainResidue
BGLU55
BHIS56
BLYS172

site_idCC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EOH B1203
ChainResidue
ATRP166
AARG286
AHOH2295
BASN4
BGLN6

Functional Information from PROSITE/UniProt
site_idPS00570
Number of Residues24
DetailsRING_HYDROXYL_ALPHA Bacterial ring hydroxylating dioxygenases alpha-subunit signature. CrHRGktlvhaeaGNakgfvCgYH
ChainResidueDetails
ACYS79-HIS102

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1ndo
ChainResidueDetails
AHIS206
AASP203

site_idCSA2
Number of Residues1
DetailsAnnotated By Reference To The Literature 1ndo
ChainResidueDetails
AHIS102

222415

PDB entries from 2024-07-10

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