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4HPX

Crystal structure of Tryptophan Synthase at 1.65 A resolution in complex with alpha aminoacrylate E(A-A) and benzimidazole in the beta site and the F9 inhibitor in the alpha site

Functional Information from GO Data
ChainGOidnamespacecontents
A0000162biological_processtryptophan biosynthetic process
A0004834molecular_functiontryptophan synthase activity
A0005515molecular_functionprotein binding
A0005829cellular_componentcytosol
A0006568biological_processtryptophan metabolic process
A0016829molecular_functionlyase activity
B0000162biological_processtryptophan biosynthetic process
B0004834molecular_functiontryptophan synthase activity
B0005515molecular_functionprotein binding
B0005737cellular_componentcytoplasm
B0006568biological_processtryptophan metabolic process
B0016829molecular_functionlyase activity
B0042802molecular_functionidentical protein binding
Functional Information from PDB Data
site_idAC1
Number of Residues20
DetailsBINDING SITE FOR RESIDUE F9F A 301
ChainResidue
APHE22
ATHR183
AGLY184
APHE212
AGLY213
AILE232
AGLY234
ASER235
AHOH431
AHOH522
AHOH523
AGLU49
BPRO18
AALA59
AILE64
ALEU100
ALEU127
AALA129
AILE153
ATYR175

site_idAC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE PEG A 302
ChainResidue
AARG164
ASER168

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE BZI B 401
ChainResidue
BLYS87
BGLU109
BLEU166
BGLY189
BTHR190
BGLY233
BPHE306
B0JO404

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE BZI B 402
ChainResidue
BTHR3
BLEU4
BLEU5
BASN6

site_idAC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE BZI B 403
ChainResidue
BLYS137
BHOH845

site_idAC6
Number of Residues22
DetailsBINDING SITE FOR RESIDUE 0JO B 404
ChainResidue
BHIS86
BLYS87
BTHR110
BGLY111
BALA112
BGLY113
BGLN114
BHIS115
BLEU166
BTHR190
BCYS230
BGLY232
BGLY233
BGLY234
BSER235
BASN236
BGLY303
BGLU350
BSER377
BGLY378
BBZI401
BHOH505

site_idAC7
Number of Residues12
DetailsBINDING SITE FOR RESIDUE BCN B 405
ChainResidue
BTHR248
BSER249
BVAL250
BGLY251
BLEU252
BGLY320
BARG321
BASP323
BHOH607
BHOH629
BHOH758
BHOH805

site_idAC8
Number of Residues11
DetailsBINDING SITE FOR RESIDUE BCN B 406
ChainResidue
BGLY259
BHIS260
BGLU263
BTHR328
BASP329
BASP330
BPEG408
BHOH533
BHOH635
BHOH734
BHOH769

site_idAC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE BCN B 407
ChainResidue
BTHR289
BALA290
BASP291
BGLN293
BHOH573
BHOH632
BHOH930
BHOH932

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PEG B 408
ChainResidue
BGLU263
BTHR264
BBCN406
BHOH714
BHOH772
BHOH910

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PEG B 409
ChainResidue
BHOH740
BILE262
BGLU263
BTHR264
BGLY265

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PEG B 410
ChainResidue
BGLU211
BALA214
BHOH660
BHOH870
BHOH921

site_idBC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PEG B 411
ChainResidue
BGLY179
BSER180
BTYR181
BGLU182
BTHR183
BHOH832

site_idBC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CS B 412
ChainResidue
BGLY232
BGLY268
BLEU304
BPHE306
BSER308
BHOH946

site_idBC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CS B 413
ChainResidue
BTHR66
BTHR69
BTHR71
BHOH938
BHOH948

Functional Information from PROSITE/UniProt
site_idPS00167
Number of Residues14
DetailsTRP_SYNTHASE_ALPHA Tryptophan synthase alpha chain signature. LELGvPFSDPLADG
ChainResidueDetails
ALEU48-GLY61

site_idPS00168
Number of Residues15
DetailsTRP_SYNTHASE_BETA Tryptophan synthase beta chain pyridoxal-phosphate attachment site. LlHgGAHKtNqvLgQ
ChainResidueDetails
BLEU80-GLN94

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsMOD_RES: N6-(pyridoxal phosphate)lysine
ChainResidueDetails
BLYS87
AASP60

Catalytic Information from CSA
site_idMCSA1
Number of Residues3
DetailsM-CSA 383
ChainResidueDetails
BLYS87electron pair acceptor, electron pair donor, nucleofuge, nucleophile, proton acceptor, proton donor
BGLU109
BSER377hydrogen bond donor

226707

PDB entries from 2024-10-30

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