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6DZO

Crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A with 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site, and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine 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 Residues20
Detailsbinding site for residue F9F A 301
ChainResidue
APHE22
ATHR183
AGLY184
APHE212
AGLY213
AILE232
AGLY234
ASER235
AHOH412
AHOH432
AHOH483
AGLU49
BPRO18
AALA59
AILE64
ALEU100
ALEU127
AALA129
AILE153
ATYR175

site_idAC2
Number of Residues6
Detailsbinding site for residue DMS A 302
ChainResidue
APHE139
AARG140
APRO150
AILE151
APHE152
AHOH417

site_idAC3
Number of Residues8
Detailsbinding site for residue DMS A 303
ChainResidue
AMET1
AGLU2
AARG3
AGLU119
AVAL123
AASP124
AHIS146
AASN147

site_idAC4
Number of Residues4
Detailsbinding site for residue DMS A 304
ChainResidue
ALEU191
ALEU193
AGLN210
AALA222

site_idAC5
Number of Residues6
Detailsbinding site for residue DMS A 305
ChainResidue
ASER221
AARG225
AALA268
AHOH515
BLYS99
BHOH691

site_idAC6
Number of Residues5
Detailsbinding site for residue DMS A 306
ChainResidue
AILE41
AHIS92
APRO93
ATHR94
AILE95

site_idAC7
Number of Residues3
Detailsbinding site for residue CL A 307
ChainResidue
AALA167
AGLY170
AHIS204

site_idAC8
Number of Residues1
Detailsbinding site for residue CL A 308
ChainResidue
AHOH597

site_idAC9
Number of Residues4
Detailsbinding site for residue CS B 401
ChainResidue
BTHR66
BTHR69
BTHR71
BHOH801

site_idAD1
Number of Residues4
Detailsbinding site for residue EDO B 402
ChainResidue
BGLN36
BGLN42
BDMS406
BHOH596

site_idAD2
Number of Residues8
Detailsbinding site for residue CS B 403
ChainResidue
BVAL231
BGLY232
BGLU256
BGLY268
BPRO270
BLEU304
BPHE306
BSER308

site_idAD3
Number of Residues4
Detailsbinding site for residue DMS B 404
ChainResidue
BGLN42
BPHE45
BALA46
BHOH844

site_idAD4
Number of Residues3
Detailsbinding site for residue DMS B 405
ChainResidue
BILE262
BHIS267
BHIS273

site_idAD5
Number of Residues5
Detailsbinding site for residue DMS B 406
ChainResidue
BGLN36
BLYS37
BPRO39
BGLN42
BEDO402

site_idAD6
Number of Residues4
Detailsbinding site for residue DMS B 407
ChainResidue
BLYS50
BARG55
BPRO56
BTHR57

site_idAD7
Number of Residues22
Detailsbinding site for residue KOU B 408
ChainResidue
BGLY303
BASP305
BGLU350
BSER377
BHOH540
BHOH648
BHOH667
BHOH743
BHIS86
BLYS87
BTHR110
BGLY111
BALA112
BGLY113
BALA114
BHIS115
BTHR190
BGLY232
BGLY233
BGLY234
BSER235
BASN236

site_idAD8
Number of Residues3
Detailsbinding site for residue CL B 409
ChainResidue
BLEU4
BLEU5
BASN6

site_idAD9
Number of Residues3
Detailsbinding site for residue CL B 413
ChainResidue
BHOH583
BHOH703
BHOH887

site_idAE1
Number of Residues3
Detailsbinding site for residue CL B 414
ChainResidue
BSER297
BSER299
BHOH846

site_idAE2
Number of Residues1
Detailsbinding site for residue CL B 416
ChainResidue
BHOH766

site_idAE3
Number of Residues3
Detailsbinding site for residue CL B 417
ChainResidue
BASP225
BLYS368
BHOH564

site_idAE4
Number of Residues1
Detailsbinding site for residue CL B 418
ChainResidue
BGLY179

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

219140

PDB entries from 2024-05-01

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