PDB entry 3wcl

View 3wcl on RCSB PDB site
Description: The complex structure of HsSQS wtih ligand,BPH1344
Class: transferase
Keywords: isoprenoids, drug discovery, TRANSFERASE
Deposited on 2013-05-28, released 2014-06-18
The last revision prior to the SCOPe 2.08 freeze date was dated 2014-06-18, with a file datestamp of 2014-06-13.
Experiment type: XRAY
Resolution: 2.24 Å
R-factor: 0.188
AEROSPACI score: 0.32 (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 2.08: d3wcla_
  • 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 2.08: d3wclb_
  • 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 2.08: d3wclc_
  • 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 2.08: d3wcld_
  • 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 2.08: d3wcle_
  • 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 2.08: d3wclf_
  • Heterogens: BH3, HOH

PDB Chain Sequences:

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

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

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

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

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

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

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

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

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

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

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

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