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6DUC

Crystal structure of mutant beta-K167T tryptophan synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, cesium ion at the metal coordination site, and 2-aminophenol quinonoid (1D0) at the beta-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 Residues19
Detailsbinding site for residue F9F A 301
ChainResidue
APHE22
ATHR183
AGLY184
APHE212
AGLY213
AILE232
AGLY234
ASER235
AHOH405
AHOH424
BPRO18
AGLU49
AALA59
AILE64
ALEU100
ALEU127
AALA129
AILE153
ATYR175

site_idAC2
Number of Residues8
Detailsbinding site for residue DMS A 302
ChainResidue
AMET1
AARG3
AGLU119
AVAL123
AASP124
AHIS146
AASN147
AILE148

site_idAC3
Number of Residues3
Detailsbinding site for residue EDO A 303
ChainResidue
AALA113
AALA116
AHOH498

site_idAC4
Number of Residues3
Detailsbinding site for residue CL A 304
ChainResidue
AILE41
AALA45
AHOH430

site_idAC5
Number of Residues3
Detailsbinding site for residue CL A 305
ChainResidue
AALA167
AGLY170
AHIS204

site_idAC6
Number of Residues22
Detailsbinding site for residue 1D0 B 401
ChainResidue
BHIS86
BLYS87
BGLU109
BTHR110
BGLY111
BALA112
BGLY113
BGLN114
BHIS115
BLEU166
BTHR190
BCYS230
BGLY232
BGLY233
BGLY234
BSER235
BASN236
BGLY303
BGLU350
BSER377
BGLY378
BHOH589

site_idAC7
Number of Residues2
Detailsbinding site for residue DMS B 402
ChainResidue
BGLU331
BHOH563

site_idAC8
Number of Residues3
Detailsbinding site for residue 2AP B 403
ChainResidue
BTHR3
BLEU4
BASN6

site_idAC9
Number of Residues1
Detailsbinding site for residue DMS B 404
ChainResidue
BGLN42

site_idAD1
Number of Residues9
Detailsbinding site for residue DMS B 405
ChainResidue
BLYS50
BGLY54
BARG55
BPRO56
BTHR57
BALA58
BGLN215
BCS412
BCS412

site_idAD2
Number of Residues6
Detailsbinding site for residue DMS B 406
ChainResidue
ASER180
BGLY179
BSER180
BTYR181
BGLU182
BHOH716

site_idAD3
Number of Residues3
Detailsbinding site for residue EDO B 407
ChainResidue
BMET287
BGLN288
BHOH601

site_idAD4
Number of Residues7
Detailsbinding site for residue EDO B 408
ChainResidue
BLEU48
BTYR52
BTHR60
BLYS61
BGLN63
BLEU125
BGLU343

site_idAD5
Number of Residues4
Detailsbinding site for residue DMS B 409
ChainResidue
BLEU271
BASN317
BARG363
BGLU364

site_idAD6
Number of Residues7
Detailsbinding site for residue CS B 410
ChainResidue
BSER308
BVAL231
BGLY232
BGLU256
BGLY268
BLEU304
BPHE306

site_idAD7
Number of Residues4
Detailsbinding site for residue CS B 411
ChainResidue
BTHR66
BTHR69
BTHR71
BHOH702

site_idAD8
Number of Residues6
Detailsbinding site for residue CS B 412
ChainResidue
BGLY54
BGLY54
BPRO56
BPRO56
BDMS405
BDMS405

site_idAD9
Number of Residues2
Detailsbinding site for residue CL B 415
ChainResidue
BGLU369
BHOH729

site_idAE1
Number of Residues2
Detailsbinding site for residue CL B 416
ChainResidue
BLYS219
BHOH738

site_idAE2
Number of Residues2
Detailsbinding site for residue CL B 418
ChainResidue
BARG275
BALA290

site_idAE3
Number of Residues1
Detailsbinding site for residue CL B 420
ChainResidue
BGLN36

site_idAE4
Number of Residues4
Detailsbinding site for residue CL B 421
ChainResidue
BVAL325
BSER326
BHOH726
BHOH856

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

221716

PDB entries from 2024-06-26

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