1OO6

Nitroreductase from e-coli in complex with the dinitrobenzamide prodrug SN23862

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Functional Information from GO Data

ChainGOidnamespacecontents
A0005829cellular_componentcytosol
A0016020cellular_componentmembrane
A0004155molecular_function6,7-dihydropteridine reductase activity
A0010181molecular_functionFMN binding
A0042802molecular_functionidentical protein binding
A0018545molecular_functionNAD(P)H nitroreductase activity
A0016491molecular_functionoxidoreductase activity
A0046256biological_process2,4,6-trinitrotoluene catabolic process
B0005829cellular_componentcytosol
B0016020cellular_componentmembrane
B0004155molecular_function6,7-dihydropteridine reductase activity
B0010181molecular_functionFMN binding
B0042802molecular_functionidentical protein binding
B0018545molecular_functionNAD(P)H nitroreductase activity
B0016491molecular_functionoxidoreductase activity
B0046256biological_process2,4,6-trinitrotoluene catabolic process
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC123BINDING SITE FOR RESIDUE FMN A 218
ChainResidue
AARG10
AHIS11
ASER12
ALYS14
AASN71
APRO163
AILE164
AGLU165
AGLY166
ALYS205
AARG207
ASN2221
AHOH270
AHOH276
AHOH285
AHOH315
BPRO38
BSER39
BSER40
BTHR41
BASN42
BGLN142
BLEU145

AC28BINDING SITE FOR RESIDUE SN2 A 219
ChainResidue
ATHR41
AALA116
ALYS119
AGLY120
APHE124
BLYS14
BLYS74
BFMN220

AC320BINDING SITE FOR RESIDUE FMN B 220
ChainResidue
APRO38
ASER39
ASER40
AASN42
AGLN142
ALEU145
ASN2219
AHOH248
BARG10
BHIS11
BSER12
BLYS14
BLYS74
BPRO163
BILE164
BGLU165
BGLY166
BLYS205
BARG207
BHOH236

AC48BINDING SITE FOR RESIDUE SN2 A 221
ChainResidue
ALYS14
APHE70
AASN71
ALYS74
APHE199
AFMN218
AHOH301
AHOH315

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Functional Information from PDB atom coordinates for the "HETATM" binding sites

site_idNumber of ResiduesDetails
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Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
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Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
SWS_FT_FI11NAD or NADP; via amide nitrogen.
ChainResidueDetails
ATHR41

SWS_FT_FI21FMN.
ChainResidueDetails
AASN71

SWS_FT_FI310FMN.
ChainResidueDetails
AARG10-LYS14
AGLU165-GLY166
ALYS205-ARG207

SWS_FT_FI46NAD or NADP (By similarity).
ChainResidueDetails
AGLY153-GLY158

SWS_FT_FI51NAD or NADP; via amide nitrogen.
ChainResidueDetails
BTHR41

SWS_FT_FI61FMN.
ChainResidueDetails
BASN71

SWS_FT_FI710FMN.
ChainResidueDetails
BARG10-LYS14
BGLU165-GLY166
BLYS205-ARG207

SWS_FT_FI86NAD or NADP (By similarity).
ChainResidueDetails
BGLY153-GLY158

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Catalytic Information from CSA

site_idNumber of ResiduesDetails