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3R5R

Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420

Functional Information from GO Data
ChainGOidnamespacecontents
A0016491molecular_functionoxidoreductase activity
B0016491molecular_functionoxidoreductase activity
C0016491molecular_functionoxidoreductase activity
D0016491molecular_functionoxidoreductase activity
E0016491molecular_functionoxidoreductase activity
Functional Information from PDB Data
site_idAC1
Number of Residues25
DetailsBINDING SITE FOR RESIDUE F42 A 1
ChainResidue
AHOH32
AALA76
ASER78
ALYS79
APRO86
AMET87
ATRP88
AASN91
ATYR133
AHOH155
AHOH173
AGLY53
AHOH175
AHOH202
AHOH404
CPRO45
CVAL46
CLYS104
AARG54
ALYS55
ATHR56
AARG60
APRO63
ALEU64
ATYR65

site_idAC2
Number of Residues30
DetailsBINDING SITE FOR RESIDUE F42 B 1
ChainResidue
BHOH35
BGLY53
BARG54
BLYS55
BTHR56
BARG60
BASN62
BPRO63
BLEU64
BTYR65
BALA76
BSER78
BLYS79
BPRO86
BMET87
BTRP88
BASN91
BTYR133
BHOH155
BHOH172
BHOH173
BHOH276
BHOH296
BHOH332
BHOH347
BHOH416
BHOH418
DPRO45
DVAL46
DLYS104

site_idAC3
Number of Residues29
DetailsBINDING SITE FOR RESIDUE F42 C 1
ChainResidue
APRO45
AVAL46
CHOH23
CHOH28
CGLY53
CARG54
CLYS55
CTHR56
CARG60
CASN62
CPRO63
CLEU64
CTYR65
CALA76
CSER78
CLYS79
CPRO86
CMET87
CTRP88
CASN91
CTYR133
CHOH156
CHOH162
CHOH184
CHOH283
CHOH397
CHOH400
CHOH411
CHOH427

site_idAC4
Number of Residues26
DetailsBINDING SITE FOR RESIDUE F42 D 1
ChainResidue
DMET87
DTRP88
DASN91
DTYR133
DHOH156
DHOH178
DHOH185
DHOH208
DHOH241
DHOH319
DHOH436
BPRO45
BVAL46
DGLY53
DARG54
DLYS55
DTHR56
DARG60
DASN62
DPRO63
DLEU64
DTYR65
DALA76
DSER78
DLYS79
DPRO86

site_idAC5
Number of Residues28
DetailsBINDING SITE FOR RESIDUE F42 E 1
ChainResidue
EHOH16
EPRO45
EVAL46
EGLY53
EARG54
ELYS55
ETHR56
EARG60
EASN62
EPRO63
ELEU64
ETYR65
EALA76
ESER78
ELYS79
EPRO86
EMET87
ETRP88
EASN91
ELYS104
ETYR133
EHOH154
EHOH161
EHOH168
EHOH242
EHOH383
EHOH413
EHOH420

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues25
DetailsBINDING: BINDING => ECO:0000305|PubMed:22244759, ECO:0007744|PDB:3R5W
ChainResidueDetails
AARG54
BTYR133
CARG54
CARG60
CALA76
CMET87
CTYR133
DARG54
DARG60
DALA76
DMET87
AARG60
DTYR133
EARG54
EARG60
EALA76
EMET87
ETYR133
AALA76
AMET87
ATYR133
BARG54
BARG60
BALA76
BMET87

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PDB entries from 2024-09-04

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