PDB entry 3wch

View 3wch on RCSB PDB site
Description: The complex structure of HsSQS wtih ligand BPH1237
Class: transferase
Keywords: isoprenoids, drug discovery, human squalene synthase, TRANSFERASE, BPH1237
Deposited on 2013-05-27, released 2014-06-18
The last revision prior to the SCOPe 2.05 freeze date was dated 2014-06-18, with a file datestamp of 2014-06-13.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: 0.192
AEROSPACI score: 0.27 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Squalene synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: FDFT1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P37268
      • engineered mutation (237)
      • engineered mutation (304)
      • engineered mutation (307)
      • see remark 999 (342)
    Domains in SCOPe 2.05: d3wcha_
  • Chain 'B':
    Compound: Squalene synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: FDFT1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P37268
      • engineered mutation (237)
      • engineered mutation (304)
      • engineered mutation (307)
      • see remark 999 (342)
    Domains in SCOPe 2.05: d3wchb_
  • Chain 'C':
    Compound: Squalene synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: FDFT1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P37268
      • engineered mutation (237)
      • engineered mutation (304)
      • engineered mutation (307)
      • see remark 999 (342)
    Domains in SCOPe 2.05: d3wchc_
  • Chain 'D':
    Compound: Squalene synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: FDFT1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P37268
      • engineered mutation (237)
      • engineered mutation (304)
      • engineered mutation (307)
      • see remark 999 (342)
    Domains in SCOPe 2.05: d3wchd_
  • Chain 'E':
    Compound: Squalene synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: FDFT1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P37268
      • engineered mutation (237)
      • engineered mutation (304)
      • engineered mutation (307)
      • see remark 999 (342)
    Domains in SCOPe 2.05: d3wche_
  • Chain 'F':
    Compound: Squalene synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: FDFT1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P37268
      • engineered mutation (237)
      • engineered mutation (304)
      • engineered mutation (307)
      • see remark 999 (342)
    Domains in SCOPe 2.05: d3wchf_
  • Heterogens: 8PH, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3wchA (A:)
mgsshhhhhhssglvprgshmdqdslssslktcykylnqtsrsfaaviqaldgemrnavc
ifylvlraldtleddmtisvekkvpllhnfhsflyqpdwrfmeskekdrqvledfptisl
efrnlaekyqtviadicrrmgigmaefldkhvtseqewdkychyvaglvgiglsrlfsas
efedplvgedteransmglflqktniirdyledqqggrefwpqevwsryvkklgdfalpe
nidlavqclnelitnalhhipdvitylsrlrnqsvfnfcaipqvmaiatlaacynnqqvf
kgavlirlgqavtlmmdatnmpavkaiiyqymeeiyhripdsnpsssktrqiistirtqn

    Sequence, based on observed residues (ATOM records): (download) 
    >3wchA (A:)
lssslktcykylnqtsrsfaaviqaldgemrnavcifylvlraldtleddmtisvekkvp
llhnfhsflyqpdwrfmeskekdrqvledfptislefrnlaekyqtviadicrrmgigma
efldkhvtseqewdkychyvaglvgiglsrlfsasefedplvgedteransmglflqktn
iirdyledqqggrefwpqevwsryvkklgdfalpenidlavqclnelitnalhhipdvit
ylsrlrnqsvfnfcaipqvmaiatlaacynnqqvfkgavlirlgqavtlmmdatnmpavk
aiiyqymeeiyhripdsnpsssktrqiistirtq

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3wchB (B:)
mgsshhhhhhssglvprgshmdqdslssslktcykylnqtsrsfaaviqaldgemrnavc
ifylvlraldtleddmtisvekkvpllhnfhsflyqpdwrfmeskekdrqvledfptisl
efrnlaekyqtviadicrrmgigmaefldkhvtseqewdkychyvaglvgiglsrlfsas
efedplvgedteransmglflqktniirdyledqqggrefwpqevwsryvkklgdfalpe
nidlavqclnelitnalhhipdvitylsrlrnqsvfnfcaipqvmaiatlaacynnqqvf
kgavlirlgqavtlmmdatnmpavkaiiyqymeeiyhripdsnpsssktrqiistirtqn

    Sequence, based on observed residues (ATOM records): (download) 
    >3wchB (B:)
lssslktcykylnqtsrsfaaviqaldgemrnavcifylvlraldtleddmtisvekkvp
llhnfhsflyqpdwrfmeskekdrqvledfptislefrnlaekyqtviadicrrmgigma
efldkhvtseqewdkychyvaglvgiglsrlfsasefedplvgedteransmglflqktn
iirdyledqqggrefwpqevwsryvkklgdfalpenidlavqclnelitnalhhipdvit
ylsrlrnqsvfnfcaipqvmaiatlaacynnqqvfkgavlirlgqavtlmmdatnmpavk
aiiyqymeeiyhripdsnpsssktrqiistirtq

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3wchC (C:)
mgsshhhhhhssglvprgshmdqdslssslktcykylnqtsrsfaaviqaldgemrnavc
ifylvlraldtleddmtisvekkvpllhnfhsflyqpdwrfmeskekdrqvledfptisl
efrnlaekyqtviadicrrmgigmaefldkhvtseqewdkychyvaglvgiglsrlfsas
efedplvgedteransmglflqktniirdyledqqggrefwpqevwsryvkklgdfalpe
nidlavqclnelitnalhhipdvitylsrlrnqsvfnfcaipqvmaiatlaacynnqqvf
kgavlirlgqavtlmmdatnmpavkaiiyqymeeiyhripdsnpsssktrqiistirtqn

    Sequence, based on observed residues (ATOM records): (download) 
    >3wchC (C:)
lssslktcykylnqtsrsfaaviqaldgemrnavcifylvlraldtleddmtisvekkvp
llhnfhsflyqpdwrfmeskekdrqvledfptislefrnlaekyqtviadicrrmgigma
efldkhvtseqewdkychyvaglvgiglsrlfsasefedplvgedteransmglflqktn
iirdyledqqggrefwpqevwsryvkklgdfalpenidlavqclnelitnalhhipdvit
ylsrlrnqsvfnfcaipqvmaiatlaacynnqqvfkgavlirlgqavtlmmdatnmpavk
aiiyqymeeiyhripdsnpsssktrqiistirtq

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >3wchD (D:)
mgsshhhhhhssglvprgshmdqdslssslktcykylnqtsrsfaaviqaldgemrnavc
ifylvlraldtleddmtisvekkvpllhnfhsflyqpdwrfmeskekdrqvledfptisl
efrnlaekyqtviadicrrmgigmaefldkhvtseqewdkychyvaglvgiglsrlfsas
efedplvgedteransmglflqktniirdyledqqggrefwpqevwsryvkklgdfalpe
nidlavqclnelitnalhhipdvitylsrlrnqsvfnfcaipqvmaiatlaacynnqqvf
kgavlirlgqavtlmmdatnmpavkaiiyqymeeiyhripdsnpsssktrqiistirtqn

    Sequence, based on observed residues (ATOM records): (download) 
    >3wchD (D:)
lssslktcykylnqtsrsfaaviqaldgemrnavcifylvlraldtleddmtisvekkvp
llhnfhsflyqpdwrfmeskekdrqvledfptislefrnlaekyqtviadicrrmgigma
efldkhvtseqewdkychyvaglvgiglsrlfsasefedplvgedteransmglflqktn
iirdyledqqggrefwpqevwsryvkklgdfalpenidlavqclnelitnalhhipdvit
ylsrlrnqsvfnfcaipqvmaiatlaacynnqqvfkgavlirlgqavtlmmdatnmpavk
aiiyqymeeiyhripdsnpsssktrqiistirtq

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >3wchE (E:)
mgsshhhhhhssglvprgshmdqdslssslktcykylnqtsrsfaaviqaldgemrnavc
ifylvlraldtleddmtisvekkvpllhnfhsflyqpdwrfmeskekdrqvledfptisl
efrnlaekyqtviadicrrmgigmaefldkhvtseqewdkychyvaglvgiglsrlfsas
efedplvgedteransmglflqktniirdyledqqggrefwpqevwsryvkklgdfalpe
nidlavqclnelitnalhhipdvitylsrlrnqsvfnfcaipqvmaiatlaacynnqqvf
kgavlirlgqavtlmmdatnmpavkaiiyqymeeiyhripdsnpsssktrqiistirtqn

    Sequence, based on observed residues (ATOM records): (download) 
    >3wchE (E:)
lssslktcykylnqtsrsfaaviqaldgemrnavcifylvlraldtleddmtisvekkvp
llhnfhsflyqpdwrfmeskekdrqvledfptislefrnlaekyqtviadicrrmgigma
efldkhvtseqewdkychyvaglvgiglsrlfsasefedplvgedteransmglflqktn
iirdyledqqggrefwpqevwsryvkklgdfalpenidlavqclnelitnalhhipdvit
ylsrlrnqsvfnfcaipqvmaiatlaacynnqqvfkgavlirlgqavtlmmdatnmpavk
aiiyqymeeiyhripdsnpsssktrqiistirtq

  • Chain 'F':
    Sequence, based on SEQRES records: (download) 
    >3wchF (F:)
mgsshhhhhhssglvprgshmdqdslssslktcykylnqtsrsfaaviqaldgemrnavc
ifylvlraldtleddmtisvekkvpllhnfhsflyqpdwrfmeskekdrqvledfptisl
efrnlaekyqtviadicrrmgigmaefldkhvtseqewdkychyvaglvgiglsrlfsas
efedplvgedteransmglflqktniirdyledqqggrefwpqevwsryvkklgdfalpe
nidlavqclnelitnalhhipdvitylsrlrnqsvfnfcaipqvmaiatlaacynnqqvf
kgavlirlgqavtlmmdatnmpavkaiiyqymeeiyhripdsnpsssktrqiistirtqn

    Sequence, based on observed residues (ATOM records): (download) 
    >3wchF (F:)
lssslktcykylnqtsrsfaaviqaldgemrnavcifylvlraldtleddmtisvekkvp
llhnfhsflyqpdwrfmeskekdrqvledfptislefrnlaekyqtviadicrrmgigma
efldkhvtseqewdkychyvaglvgiglsrlfsasefedplvgedteransmglflqktn
iirdyledqqggrefwpqevwsryvkklgdfalpenidlavqclnelitnalhhipdvit
ylsrlrnqsvfnfcaipqvmaiatlaacynnqqvfkgavlirlgqavtlmmdatnmpavk
aiiyqymeeiyhripdsnpsssktrqiistirtq