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4KKX

Crystal structure of Tryptophan Synthase from Salmonella typhimurium with 2-aminophenol quinonoid in the beta site and the F6 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 Residues19
DetailsBINDING SITE FOR RESIDUE F6F A 301
ChainResidue
AGLU49
APHE212
AGLY213
AGLY234
ASER235
AHOH422
AHOH438
AHOH444
BPRO18
BHOH527
BHOH563
AALA59
AILE64
ALEU100
AALA129
AILE153
ATYR175
ATHR183
AGLY184

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA A 302
ChainResidue
AASN104
AASN108
AHOH691
BARG275
BVAL276
BGLN288

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 303
ChainResidue
ASER168
AHOH756

site_idAC4
Number of Residues10
DetailsBINDING SITE FOR RESIDUE PEG A 304
ChainResidue
AARG179
AGLY181
AVAL182
ATHR183
AGLY184
AASN187
AHOH437
AHOH508
AHOH512
AHOH761

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PEG A 305
ChainResidue
AARG15
AGLU16
AVAL224
AHOH773
BGLU40

site_idAC6
Number of Residues22
DetailsBINDING SITE FOR RESIDUE AQ3 B 401
ChainResidue
BHIS86
BLYS87
BGLU109
BTHR110
BGLY111
BALA112
BGLY113
BGLN114
BHIS115
BLEU166
BTHR190
BCYS230
BGLY232
BGLY233
BGLY234
BSER235
BASN236
BGLY303
BGLU350
BSER377
BGLY378
BNA403

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA B 402
ChainResidue
BGLY232
BPHE306
BSER308
BHOH505
BHOH857

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE NA B 403
ChainResidue
BCYS230
BVAL231
BGLY234
BSER235
BASN236
BALA237
BAQ3401

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 404
ChainResidue
BLYS50
BGLN215
BLYS219
BPGE413
BHOH881
BHOH925
BHOH1029

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 405
ChainResidue
BASN6
BGLY10
BHOH623
BHOH627
BHOH791

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 406
ChainResidue
BTHR66
BTHR69
BARG70
BTHR71
BHOH889

site_idBC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO B 407
ChainResidue
BHIS273
BVAL325
BSER326
BHOH608
BHOH765
BHOH811

site_idBC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO B 408
ChainResidue
AGLU134
ALEU162
AHOH468
AHOH635
AHOH687
BGLN19
BMET22
BPRO23
BASN26

site_idBC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 409
ChainResidue
BLYS272
BGLU364
BHOH725
BHOH861

site_idBC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 410
ChainResidue
BARG275
BVAL276
BHOH502
BHOH708
BHOH749
BHOH963
BHOH982

site_idBC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO B 411
ChainResidue
BTHR3
BLEU5

site_idBC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO B 412
ChainResidue
BGLU266
BSER297
BTYR298
BHOH599
BHOH764
BHOH1021

site_idBC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE PGE B 413
ChainResidue
BGLU210
BGLU211
BALA214
BEDO404
BHOH738
BHOH745
BHOH819
BHOH936
BHOH957

site_idCC1
Number of Residues13
DetailsBINDING SITE FOR RESIDUE PGE B 414
ChainResidue
BASP47
BASN51
BTYR52
BLEU59
BTHR60
BLYS61
BGLN63
BLEU125
BLYS219
BGLU343
BHOH557
BHOH673
BHOH776

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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