PDB entry 3wcm

View 3wcm on RCSB PDB site
Description: The complex structure of HsSQS wtih ligand, ER119884
Class: transferase
Keywords: isoprenoids, drug discovery, human squalene synthase, TRANSFERASE, ER119884
Deposited on 2013-05-28, released 2014-06-18
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-06-18, with a file datestamp of 2014-06-13.
Experiment type: XRAY
Resolution: 2.06 Å
R-factor: 0.186
AEROSPACI score: 0.37 (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)
      • see remark 999 (342)
    Domains in SCOPe 2.07: d3wcma_
  • 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)
      • see remark 999 (342)
    Domains in SCOPe 2.07: d3wcmb_
  • Chain 'C':
    Compound: Squalene synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: FDFT1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P37268 (Start-359)
      • engineered mutation (237)
      • engineered mutation (304)
      • see remark 999 (342)
    Domains in SCOPe 2.07: d3wcmc_
  • Chain 'D':
    Compound: Squalene synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: FDFT1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P37268 (Start-359)
      • engineered mutation (237)
      • see remark 999 (342)
    Domains in SCOPe 2.07: d3wcmd_
  • Chain 'E':
    Compound: Squalene synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: FDFT1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P37268 (Start-359)
      • engineered mutation (237)
      • engineered mutation (304)
      • see remark 999 (342)
    Domains in SCOPe 2.07: d3wcme_
  • Chain 'F':
    Compound: Squalene synthase
    Species: Homo sapiens [TaxId:9606]
    Gene: FDFT1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P37268
      • engineered mutation (237)
      • see remark 999 (342)
    Domains in SCOPe 2.07: d3wcmf_
  • Heterogens: ER4, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3wcmA (A:)
lssslktcykylnqtsrsfaaviqaldgemrnavcifylvlraldtleddmtisvekkvp
llhnfhsflyqpdwrfmeskekdrqvledfptislefrnlaekyqtviadicrrmgigma
efldkhvtseqewdkychyvaglvgiglsrlfsasefedplvgedteransmglflqktn
iirdyledqqggrefwpqevwsryvkklgdfalpenidlavqclnelitnalhhipdvit
ylsrlrnqsvfnfcaipqvmaiatlaacynnqqvfkgavlivtlmmdatnmpavkaiiyq
ymeeiyhripdsnpsssktrqiistirtq

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3wcmB (B:)
dslssslktcykylnqtsrsfaaviqaldgemrnavcifylvlraldtleddmtisvekk
vpllhnfhsflyqpdwrfmeskekdrqvledfptislefrnlaekyqtviadicrrmgig
maefldkhvtseqewdkychyvaglvgiglsrlfsasefedplvgedteransmglflqk
tniirdyledqqggrefwpqevwsryvkklgdfalpenidlavqclnelitnalhhipdv
itylsrlrnqsvfnfcaipqvmaiatlaacynnqqvfkgavliavtlmmdatnmpavkai
iyqymeeiyhripdsnpsssktrqiistirtq

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3wcmC (C:)
lssslktcykylnqtsrsfaaviqaldgemrnavcifylvlraldtleddmtisvekkvp
llhnfhsflyqpdwrfmeskekdrqvledfptislefrnlaekyqtviadicrrmgigma
efldkhvtseqewdkychyvaglvgiglsrlfsasefedplvgedteransmglflqktn
iirdyledqqggrefwpqevwsryvkklgdfalpenidlavqclnelitnalhhipdvit
ylsrlrnqsvfnfcaipqvmaiatlaacynnqqvfkgavliravtlmmdatnmpavkaii
yqymeeiyhripdsnpsssktrqiistirtqn

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3wcmD (D:)
ssslktcykylnqtsrsfaaviqaldgemrnavcifylvlraldtleddmtisvekkvpl
lhnfhsflyqpdwrfmeskekdrqvledfptislefrnlaekyqtviadicrrmgigmae
fldkhvtseqewdkychyvaglvgiglsrlfsasefedplvgedteransmglflqktni
irdyledqqggrefwpqevwsryvkklgdfalpenidlavqclnelitnalhhipdvity
lsrlrnqsvfnfcaipqvmaiatlaacynnqqvfkavtlmmdatnmpavkaiiyqymeei
yhripdsnpsssktrqiistirtqn

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3wcmE (E:)
ssslktcykylnqtsrsfaaviqaldgemrnavcifylvlraldtleddmtisvekkvpl
lhnfhsflyqpdwrfmeskekdrqvledfptislefrnlaekyqtviadicrrmgigmae
fldkhvtseqewdkychyvaglvgiglsrlfsasefedplvgedteransmglflqktni
irdyledqqggrefwpqevwsryvkklgdfalpenidlavqclnelitnalhhipdvity
lsrlrnqsvfnfcaipqvmaiatlaacynnqqvfkgavliavtlmmdatnmpavkaiiyq
ymeeiyhripdsnpsssktrqiistirtqn

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3wcmF (F:)
lssslktcykylnqtsrsfaaviqaldgemrnavcifylvlraldtleddmtisvekkvp
llhnfhsflyqpdwrfmeskekdrqvledfptislefrnlaekyqtviadicrrmgigma
efldkhvtseqewdkychyvaglvgiglsrlfsasefedplvgedteransmglflqktn
iirdyledqqggrefwpqevwsryvkklgdfalpenidlavqclnelitnalhhipdvit
ylsrlrnqsvfnfcaipqvmaiatlaacynnqqvfkgavavtlmmdatnmpavkaiiyqy
meeiyhripdsnpsssktrqiistirtq