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3B4W

Crystal structure of Mycobacterium tuberculosis aldehyde dehydrogenase complexed with NAD+

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0005524molecular_functionATP binding
A0005886cellular_componentplasma membrane
A0016208molecular_functionAMP binding
A0016491molecular_functionoxidoreductase activity
A0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
A0043531molecular_functionADP binding
A0051287molecular_functionNAD binding
A0070404molecular_functionNADH binding
A0071949molecular_functionFAD binding
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 801
ChainResidue
AALA235
AARG238
AHOH807
AHOH925
AHOH1105

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 802
ChainResidue
AARG242
AARG242
AARG243

site_idAC3
Number of Residues28
DetailsBINDING SITE FOR RESIDUE NAD A 500
ChainResidue
AVAL154
AALA155
ATRP156
AASN157
ALYS180
AALA182
AILE213
AGLY216
APHE230
ATHR231
AGLY232
ASER233
AVAL236
AGLU239
AGLU254
ALEU255
AGLY256
ACYS288
AGLU387
APHE389
APHE452
AGOL602
AHOH855
AHOH899
AHOH947
AHOH1120
AHOH1141
AILE153

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 600
ChainResidue
AASP268
AARG298
AHOH1168
AHOH1192
AHOH1207

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 601
ChainResidue
AASP302
AVAL305
AALA306
APRO316
AGLN326
AARG352
AHOH870

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 602
ChainResidue
AASN157
APHE161
AGLY287
ACYS288
ANAD500
AHOH899
AHOH1225

site_idAC7
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 603
ChainResidue
AMET227
APRO250
AGLY461
AHIS471
ATHR473
AGLN474
AHOH850
AHOH1062
AHOH1125

site_idAC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EOH A 701
ChainResidue
ACYS30
APRO320

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EOH A 702
ChainResidue
AVAL267
AASP268
ALEU269
AALA270
AARG300

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EOH A 703
ChainResidue
AASN379
AILE407
AASP410
AHOH934

Functional Information from PROSITE/UniProt
site_idPS00687
Number of Residues8
DetailsALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. LELGGKSA
ChainResidueDetails
ALEU253-ALA260

218853

PDB entries from 2024-04-24

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