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4LRS

Crystal and solution structures of the bifunctional enzyme (Aldolase/Aldehyde dehydrogenase) from Thermomonospora curvata, reveal a cofactor-binding domain motion during NAD+ and CoA accommodation whithin the shared cofactor-binding site

Functional Information from GO Data
ChainGOidnamespacecontents
A0003824molecular_functioncatalytic activity
A0003852molecular_function2-isopropylmalate synthase activity
A0008701molecular_function4-hydroxy-2-oxovalerate aldolase activity
A0009056biological_processcatabolic process
A0009098biological_processL-leucine biosynthetic process
A0016829molecular_functionlyase activity
A0016833molecular_functionoxo-acid-lyase activity
A0030145molecular_functionmanganese ion binding
A0046872molecular_functionmetal ion binding
B0000166molecular_functionnucleotide binding
B0008774molecular_functionacetaldehyde dehydrogenase (acetylating) activity
B0009056biological_processcatabolic process
B0016491molecular_functionoxidoreductase activity
B0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
B0051287molecular_functionNAD binding
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 401
ChainResidue
AGLY151
APRO152
AGLU153
AGLU154
AHOH554
AHOH677

site_idAC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE PYR A 402
ChainResidue
AMET145
AVAL173
ASER175
AHIS204
AHIS206
ATYR295
AMG404
AHOH547
AARG21
AASP22
APHE143

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 403
ChainResidue
ASER182
AGLN221
AHOH642

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 404
ChainResidue
AASP22
AHIS204
AHIS206
APYR402
AHOH547

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 405
ChainResidue
AASP183
AARG252
ALEU253

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PEG A 406
ChainResidue
AHIS107
AGLY110
AALA111
ASER112
AGLY137
AHOH711

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PEG A 407
ChainResidue
APRO274
APEG409
AHOH604
AHOH742
AHOH752

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PEG A 408
ChainResidue
AVAL85
AGLN262
AALA263
APEG410
AHOH708
AHOH730
AHOH734

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PEG A 409
ChainResidue
AGLU270
APEG407
AHOH750
AHOH752
AHOH777

site_idBC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE PEG A 410
ChainResidue
AALA42
AALA263
AALA266
AALA267
AGLU270
AVAL271
APEG408
AHOH631

site_idBC2
Number of Residues34
DetailsBINDING SITE FOR RESIDUE NAD B 401
ChainResidue
BVAL29
BGLY30
BPRO31
BGLY32
BASN33
BILE34
BGLY55
BVAL56
BALA94
BTHR95
BSER96
BLEU117
BTHR118
BPRO119
BCYS146
BSER177
BGLY179
BPRO180
BGLY181
BTHR182
BASN185
BASN296
BLEU297
BPEG409
BHOH507
BHOH524
BHOH537
BHOH548
BHOH566
BHOH571
BHOH619
BHOH673
BHOH713
BHOH761

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL B 402
ChainResidue
BTHR260
BGLU261
BPRO262
BVAL279
BPHE280

site_idBC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 403
ChainResidue
BALA233
BASP234
BTHR235
BGOL405
BHOH587
BHOH590
BHOH609
BGLU61

site_idBC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL B 404
ChainResidue
BARG268
BASP269
BILE270

site_idBC6
Number of Residues11
DetailsBINDING SITE FOR RESIDUE GOL B 405
ChainResidue
BGLU61
BPRO231
BTHR235
BTYR264
BASP265
BGLN266
BPRO267
BALA275
BARG276
BGOL403
BHOH567

site_idBC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL B 406
ChainResidue
BTHR257
BLEU258
BARG259
BHOH680

site_idBC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 407
ChainResidue
BPRO231
BGLY287
BTYR289
BLEU290
BPRO291
BHOH684
BHOH706

site_idBC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PEG B 408
ChainResidue
BVAL162
BPRO163
BPRO230
BALA233
BASP234
BHOH560

site_idCC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PEG B 409
ChainResidue
BPRO180
BGLY181
BNAD401
BHOH621
BHOH673
NALA156
NHOH201

site_idCC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE FOR B 410
ChainResidue
AHIS119
AHOH521
BLEU212
BHOH510

site_idCC3
Number of Residues4
DetailsBINDING SITE FOR CHAIN N OF SYMMETRIC ALDOLASE, C-TERMINAL DISORDERED RESIDUES
ChainResidue
AHOH785
BPRO180
BPEG409
NHOH201

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PDB entries from 2025-06-11

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