PDB entry 5ctc

View 5ctc on RCSB PDB site
Description: Humanized yeast ACC carboxyltransferase domain bound to tert-butyl 7-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
Class: transferase/transferase inhibitor
Keywords: ACC, inhibitor, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2015-07-23, released 2015-10-14
The last revision prior to the SCOPe 2.07 freeze date was dated 2015-11-11, with a file datestamp of 2015-11-06.
Experiment type: XRAY
Resolution: 2.7 Å
R-factor: N/A
AEROSPACI score: 0.17 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: acetyl-coa carboxylase
    Species: Saccharomyces cerevisiae [TaxId:4932]
    Gene: ACC1, ABP2, FAS3, MTR7, YNR016C, N3175
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q00955
      • engineered mutation (287)
      • engineered mutation (289)
      • engineered mutation (292)
      • engineered mutation (446-447)
      • engineered mutation (452)
      • engineered mutation (555)
      • engineered mutation (557)
      • engineered mutation (559)
    Domains in SCOPe 2.07: d5ctca1, d5ctca2
  • Chain 'B':
    Compound: acetyl-coa carboxylase
    Species: Saccharomyces cerevisiae [TaxId:4932]
    Gene: ACC1, ABP2, FAS3, MTR7, YNR016C, N3175
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q00955
      • engineered mutation (287)
      • engineered mutation (289)
      • engineered mutation (292)
      • engineered mutation (446-447)
      • engineered mutation (452)
      • engineered mutation (555)
      • engineered mutation (557)
      • engineered mutation (559)
    Domains in SCOPe 2.07: d5ctcb1, d5ctcb2
  • Chain 'C':
    Compound: acetyl-coa carboxylase
    Species: Saccharomyces cerevisiae [TaxId:4932]
    Gene: ACC1, ABP2, FAS3, MTR7, YNR016C, N3175
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q00955
      • engineered mutation (287)
      • engineered mutation (289)
      • engineered mutation (292)
      • engineered mutation (446-447)
      • engineered mutation (452)
      • engineered mutation (555)
      • engineered mutation (557)
      • engineered mutation (559)
    Domains in SCOPe 2.07: d5ctcc1, d5ctcc2
  • Heterogens: 57K, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5ctcA (A:)
    masgsmhlrpiatpypvkewlqpkrykahlmgttyvydfpelfrqasssqwknfsadvkl
    tddffisneliedengelteverepganaigmvafkitvktpeyprgrqfvvvanditfk
    igsfgpqedeffnkvteyarkrgipriylaansgarigmaeeivplfqvawndaanpdkg
    fqylyltsegmetlkkfdkensvltertvingeerfviktiigsedglgveclrgsglia
    gatsrayhdiftitlvtcrsvgigaylvrlgqraiqvegqpiiltgasalnkvlgrevyt
    snlqlggtqimynngvshltavddlagvekivewmsyvpakrnmpvpiletkdtwdrpvd
    ftptndetydvrwmiegretesgfeyglfdkgsffetlsgwakgvvvgrarlggiplgvi
    gvetrtvenlipadpanpnsaetliqqagqvwfpnsafktaqaindfnngeqlpmmilan
    wrgfsggqrdmfnevlkygsfivdalvdykqpiiiyipptgelrggswvvvdptinadqm
    emyadvnaragvlepegtveikfrreklldtmnrlddkyrelrsqlsnkslapevhqqis
    kqladrerellpiygqislqfadlhdrssrmvakgviskelewtearrfffwrlrrrlne
    eylikrlshqvgeasrlekiarirswypasvdheddrqvatwieenyktlddklkglkle
    sfaqdlakkirsdhdnaidglsevikmlstddkekllktlklehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5ctcA (A:)
    lrpiatpypvkewlqpkrykahlmgttyvydfpelfrqasssqwknfsadvkltddffis
    neliedengelteverepganaigmvafkitvktpeyprgrqfvvvanditfkigsfgpq
    edeffnkvteyarkrgipriylaansgarigmaeeivplfqvawndaanpdkgfqylylt
    segmetlkkfdkensvltertvingeerfviktiigsedglgveclrgsgliagatsray
    hdiftitlvtcrsvgigaylvrlgqraiqvegqpiiltgasalnkvlgrevytsnlqlgg
    tqimynngvshltavddlagvekivewmsyvpakrnmpvpiletkdtwdrpvdftptnde
    tydvrwmiegretesgfeyglfdkgsffetlsgwakgvvvgrarlggiplgvigvetrtv
    enlipadpanpnsaetliqqagqvwfpnsafktaqaindfnngeqlpmmilanwrgfsgg
    qrdmfnevlkygsfivdalvdykqpiiiyipptgelrggswvvvdptinadqmemyadvn
    aragvlepegtveikfrreklldtmnrlddkyrkqladrerellpiygqislqfadlhdr
    ssrmvakgviskelewtearrfffwrlrrrlneeylikrlsheasrlekiarirswypas
    vdheddrqvatwieenyktlddklkglkles
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5ctcB (B:)
    masgsmhlrpiatpypvkewlqpkrykahlmgttyvydfpelfrqasssqwknfsadvkl
    tddffisneliedengelteverepganaigmvafkitvktpeyprgrqfvvvanditfk
    igsfgpqedeffnkvteyarkrgipriylaansgarigmaeeivplfqvawndaanpdkg
    fqylyltsegmetlkkfdkensvltertvingeerfviktiigsedglgveclrgsglia
    gatsrayhdiftitlvtcrsvgigaylvrlgqraiqvegqpiiltgasalnkvlgrevyt
    snlqlggtqimynngvshltavddlagvekivewmsyvpakrnmpvpiletkdtwdrpvd
    ftptndetydvrwmiegretesgfeyglfdkgsffetlsgwakgvvvgrarlggiplgvi
    gvetrtvenlipadpanpnsaetliqqagqvwfpnsafktaqaindfnngeqlpmmilan
    wrgfsggqrdmfnevlkygsfivdalvdykqpiiiyipptgelrggswvvvdptinadqm
    emyadvnaragvlepegtveikfrreklldtmnrlddkyrelrsqlsnkslapevhqqis
    kqladrerellpiygqislqfadlhdrssrmvakgviskelewtearrfffwrlrrrlne
    eylikrlshqvgeasrlekiarirswypasvdheddrqvatwieenyktlddklkglkle
    sfaqdlakkirsdhdnaidglsevikmlstddkekllktlklehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5ctcB (B:)
    rpiatpypvkewlqpkrykahlmgttyvydfpelfrqasssqwknfsadvkltddffisn
    eliedengelteverepganaigmvafkitvktpeyprgrqfvvvanditfkigsfgpqe
    deffnkvteyarkrgipriylaansgarigmaeeivplfqvawndaanpdkgfqylylts
    egmetlkkfdkensvltertvingeerfviktiigsedglgveclrgsgliagatsrayh
    diftitlvtcrsvgigaylvrlgqraiqvegqpiiltgasalnkvlgrevytsnlqlggt
    qimynngvshltavddlagvekivewmsyvpakrnmpvpiletkdtwdrpvdftptndet
    ydvrwmiegretesgfeyglfdkgsffetlsgwakgvvvgrarlggiplgvigvetrtve
    nlipadpanpnsaetliqqagqvwfpnsafktaqaindfnngeqlpmmilanwrgfsggq
    rdmfnevlkygsfivdalvdykqpiiiyipptgelrggswvvvdptinadqmemyadvna
    ragvlepegtveikfrreklldtmnrlddkyrelladrerellpiygqislqfadlhdrs
    srmvakgviskelewtearrfffwrlrrrlneeylikrlshqvasrlekiarirswypas
    vdheddrqvatwieenyktlddklkgl
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5ctcC (C:)
    masgsmhlrpiatpypvkewlqpkrykahlmgttyvydfpelfrqasssqwknfsadvkl
    tddffisneliedengelteverepganaigmvafkitvktpeyprgrqfvvvanditfk
    igsfgpqedeffnkvteyarkrgipriylaansgarigmaeeivplfqvawndaanpdkg
    fqylyltsegmetlkkfdkensvltertvingeerfviktiigsedglgveclrgsglia
    gatsrayhdiftitlvtcrsvgigaylvrlgqraiqvegqpiiltgasalnkvlgrevyt
    snlqlggtqimynngvshltavddlagvekivewmsyvpakrnmpvpiletkdtwdrpvd
    ftptndetydvrwmiegretesgfeyglfdkgsffetlsgwakgvvvgrarlggiplgvi
    gvetrtvenlipadpanpnsaetliqqagqvwfpnsafktaqaindfnngeqlpmmilan
    wrgfsggqrdmfnevlkygsfivdalvdykqpiiiyipptgelrggswvvvdptinadqm
    emyadvnaragvlepegtveikfrreklldtmnrlddkyrelrsqlsnkslapevhqqis
    kqladrerellpiygqislqfadlhdrssrmvakgviskelewtearrfffwrlrrrlne
    eylikrlshqvgeasrlekiarirswypasvdheddrqvatwieenyktlddklkglkle
    sfaqdlakkirsdhdnaidglsevikmlstddkekllktlklehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5ctcC (C:)
    lqpkrykahlmgttyvydfpelfrqasssqwknfsadvkltddffisneliedengelte
    verepganaigmvafkitvktpeyprgrqfvvvanditfkigsfgpqedeffnkvteyar
    krgipriylaansgarigmaeeivplfqvawndaanpdkgfqylyltsegmetlkkfdke
    nsvltertvingeerfviktiigsedglgveclrgsgliagatsrayhdiftitlvtcrs
    vgigaylvrlgqraiqvegqpiiltgasalnkvlgrevytsnlqlggtqimynngvshlt
    avddlagvekivewmsyvpakrnmpvpiletkdtwdrpvdftptndetydvrwmiegret
    esgfeyglfdkgsffetlsgwakgvvvgrarlggiplgvigvetrtvenlipadpanpns
    aetliqqagqvwfpnsafktaqaindfnngeqlpmmilanwrgfsggqrdmfnevlkygs
    fivdalvdykqpiiiyipptgelrggswvvvdptinadqmemyadvnaragvlepegtve
    ikfrreklldtmnrlddkyrelrsqladrerellpiygqislqfadlhdrssrmvakgvi
    skelewtearrfffwrlrrrlneeylikrlshqeasrlekiarirswypasvdheddrqv
    atwieenyktlddklkglkle