PDB entry 4xug

View 4xug on RCSB PDB site
Description: Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with 2-({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) inhibitor in the alpha site and ammonium ion in the metal coordination site.
Class: lyase/lyase inhibitor
Keywords: carbon-oxygen lyase, hydro-lyase, tryptophan biosynthesis, Salmonella typhimurium, F9F, inhibitor, allosteric enzyme, aromatic amino acid biosynthesis, pyridoxal phosphate, LYASE-LYASE INHIBITOR complex
Deposited on 2015-01-25, released 2016-01-27
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-12-25, with a file datestamp of 2019-12-20.
Experiment type: XRAY
Resolution: 1.65 Å
R-factor: N/A
AEROSPACI score: 0.42 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: tryptophan synthase alpha chain
    Species: Salmonella enterica subsp. enterica serovar Typhimurium [TaxId:90371]
    Gene: trpA
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4xuga_
  • Chain 'B':
    Compound: tryptophan synthase beta chain
    Species: Salmonella enterica subsp. enterica serovar Typhimurium [TaxId:90371]
    Gene: TrpB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4xugb_
  • Heterogens: F9F, PLP, NH4, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4xugA (A:)
meryenlfaqlndrregafvpfvtlgdpgieqslkiidtlidagadalelgvpfsdplad
gptiqnanlrafaagvtpaqcfemlalirekhptipigllmyanlvfnngidafyarceq
vgvdsvlvadvpveesapfrqaalrhniapificppnadddllrqvasygrgytyllsrs
gvtgaenrgalplhhlieklkeyhaapalqgfgisspeqvsaavragaagaisgsaivki
ieknlaspkqmlaelrsfvsamkaasra

    Sequence, based on observed residues (ATOM records): (download) 
    >4xugA (A:)
meryenlfaqlndrregafvpfvtlgdpgieqslkiidtlidagadalelgvpfsdplad
gptiqnanlrafaagvtpaqcfemlalirekhptipigllmyanlvfnngidafyarceq
vgvdsvlvadvpveesapfrqaalrhniapificppnadddllrqvasygrgytyllsrs
gvtgaenrgalplhhlieklkeyhaapalqgfgisspeqvsaavragaagaisgsaivki
ieknlaspkqmlaelrsfvsamkaasr

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4xugB (B:)
mttllnpyfgefggmyvpqilmpalnqleeafvsaqkdpefqaqfadllknyagrptalt
kcqnitagtrttlylkredllhggahktnqvlgqallakrmgkseiiaetgagqhgvasa
lasallglkcriymgakdverqspnvfrmrlmgaevipvhsgsatlkdacnealrdwsgs
yetahymlgtaagphpyptivrefqrmigeetkaqildkegrlpdaviacvgggsnaigm
fadfindtsvgligvepgghgietgehgaplkhgrvgiyfgmkapmmqtadgqieesysi
sagldfpsvgpqhaylnsigradyvsitddealeafktlcrhegiipalesshalahalk
mmreqpekeqllvvnlsgrgdkdiftvhdilkargei

    Sequence, based on observed residues (ATOM records): (download) 
    >4xugB (B:)
ttllnpyfgefggmyvpqilmpalnqleeafvsaqkdpefqaqfadllknyagrptaltk
cqnitagtrttlylkredllhggahktnqvlgqallakrmgkseiiaetgagqhgvasal
asallglkcriymgakdverqspnvfrmrlmgaevipvhsgsatlkdacnealrdwsgsy
etahymlgtaagphpyptivrefqrmigeetkaqildkegrlpdaviacvgggsnaigmf
adfindtsvgligvepgghgietgehgaplkhgrvgiyfgmkapmmqtadgqieesysis
agldfpsvgpqhaylnsigradyvsitddealeafktlcrhegiipalesshalahalkm
mreqpekeqllvvnlsgrgdkdiftvhdilkarg