PDB entry 6xsy

View 6xsy on RCSB PDB site
Description: The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A with inhibitor 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 (KOU) at the beta-site
Class: lyase/lyase inhibitor
Keywords: LYASE, Inhibitor complex, LYASE-LYASE INHIBITOR complex
Deposited on 2020-07-16, released 2021-07-21
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-07-21, with a file datestamp of 2021-07-16.
Experiment type: XRAY
Resolution: 1.55 Å
R-factor: N/A
AEROSPACI score: 0.54 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: tryptophan synthase alpha chain
    Species: Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) [TaxId:99287]
    Gene: TRPA, STM1727
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6xsya_
  • Chain 'B':
    Compound: tryptophan synthase beta chain
    Species: Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) [TaxId:99287]
    Gene: trpB, STM1726
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A2K1 (0-396)
      • engineered mutation (376)
    Domains in SCOPe 2.08: d6xsyb_
  • Heterogens: F9F, CS, KOU, DMS, EDO, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >6xsyA (A:)
meryenlfaqlndrregafvpfvtlgdpgieqslkiidtlidagadalelgvpfsdplad
gptiqnanlrafaagvtpaqcfemlalirekhptipigllmyanlvfnngidafyarceq
vgvdsvlvadvpveesapfrqaalrhniapificppnadddllrqvasygrgytyllsrs
gvtgaenrgalplhhlieklkeyhaapalqgfgisspeqvsaavragaagaisgsaivki
ieknlaspkqmlaelrsfvsamkaasra

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6xsyB (B:)
mttllnpyfgefggmyvpqilmpalnqleeafvsaqkdpefqaqfadllknyagrptalt
kcqnitagtrttlylkredllhggahktnqvlgqallakrmgkseiiaetgagqhgvasa
lasallglkcriymgakdverqspnvfrmrlmgaevipvhsgsatlkdacnealrdwsgs
yetahymlgtaagphpyptivrefqrmigeetkaqildkegrlpdaviacvgggsnaigm
fadfindtsvgligvepgghgietgehgaplkhgrvgiyfgmkapmmqtadgqieesysi
sagldfpsvgpqhaylnsigradyvsitddealeafktlcrhegiipalesshalahalk
mmreqpekeqllvvnlagrgdkdiftvhdilkargei

    Sequence, based on observed residues (ATOM records): (download) 
    >6xsyB (B:)
ttllnpyfgefggmyvpqilmpalnqleeafvsaqkdpefqaqfadllknyagrptaltk
cqnitagtrttlylkredllhggahktnqvlgqallakrmgkseiiaetgagqhgvasal
asallglkcriymgakdverqspnvfrmrlmgaevipvhsgsatlkdacnealrdwsgsy
etahymlgtaagphpyptivrefqrmigeetkaqildkegrlpdaviacvgggsnaigmf
adfindtsvgligvepgghgietgehgaplkhgrvgiyfgmkapmmqtadgqieesysis
agldfpsvgpqhaylnsigradyvsitddealeafktlcrhegiipalesshalahalkm
mreqpekeqllvvnlagrgdkdiftvhdilkargei