PDB entry 4o5s

View 4o5s on RCSB PDB site
Description: Crystal structure of Diels-Alderase CE11
Class: De Novo Protein, Hydrolase
Keywords: protein engineering, computer-aided design, Diels-Alder reaction, enzyme design, directed evolution, substrate specificity, beta-propeller, helix-loop-helix, de novo protein, artificial catalyst, Diels-Alderase, catalyst for cycloaddition, Hydrolase
Deposited on 2013-12-20, released 2014-06-04
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-11-22, with a file datestamp of 2017-11-17.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: N/A
AEROSPACI score: 0.36 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Diisopropyl-fluorophosphatase
    Species: Loligo vulgaris [TaxId:6622]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q7SIG4
      • engineered mutation (12)
      • engineered mutation (20)
      • engineered mutation (32)
      • see remark 999 (35-57)
      • engineered mutation (62)
      • engineered mutation (84)
      • engineered mutation (86)
      • engineered mutation (112)
      • engineered mutation (127)
      • engineered mutation (132-133)
      • engineered mutation (150)
      • engineered mutation (156)
      • engineered mutation (158)
      • engineered mutation (160-161)
      • engineered mutation (185)
      • engineered mutation (187)
      • engineered mutation (207)
      • engineered mutation (222)
      • engineered mutation (237)
      • engineered mutation (241)
      • engineered mutation (244)
      • engineered mutation (283)
      • engineered mutation (300)
      • engineered mutation (321)
    Domains in SCOPe 2.07: d4o5sa_
  • Chain 'B':
    Compound: Diisopropyl-fluorophosphatase
    Species: Loligo vulgaris [TaxId:6622]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q7SIG4
      • engineered mutation (12)
      • engineered mutation (20)
      • engineered mutation (32)
      • see remark 999 (35-43)
      • see remark 999 (54-57)
      • engineered mutation (62)
      • engineered mutation (84)
      • engineered mutation (86)
      • engineered mutation (112)
      • engineered mutation (127)
      • engineered mutation (132-133)
      • engineered mutation (150)
      • engineered mutation (156)
      • engineered mutation (158)
      • engineered mutation (160-161)
      • engineered mutation (185)
      • engineered mutation (187)
      • engineered mutation (207)
      • engineered mutation (222)
      • engineered mutation (237)
      • engineered mutation (241)
      • engineered mutation (244)
      • engineered mutation (283)
      • engineered mutation (300)
      • engineered mutation (321)
    Domains in SCOPe 2.07: d4o5sb_
  • Heterogens: HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4o5sA (A:)
meipvieplftkmtedipgatgpvfdkngdfyvvasplsealtkanspaeaykasrgage
ilhidlktgkktvickpevngyggspigcqcdrdanqlfvadmrlgllvvqtegtfeeia
kkdsegrcmqgcaycafdyegnlwitapaggvapadftislrekfgsiycfttdgqmiqv
dtafqcpagiavrhmndgrpyqlivaeqptkklwsydikgpanienkkvwghipgthkgg
aagmvfdednnllvanwgsshievfgpdggqpkmrircpfekpanlhfkpqtktifvteh
dnnavwkfewqrngkkqycetskfgifgslehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4o5sA (A:)
eipvieplftkmtedipgatgpvfdkngdfyvvasplsealtkanspaeaykasrgagei
lhidlktgkktvickpevngyggspigcqcdrdanqlfvadmrlgllvvqtegtfeeiak
kdsegrcmqgcaycafdyegnlwitapaggvapadftislrekfgsiycfttdgqmiqvd
tafqcpagiavrhmndgrpyqlivaeqptkklwsydikgpanienkkvwghipgthkgga
agmvfdednnllvanwgsshievfgpdggqpkmrircpfekpanlhfkpqtktifvtehd
nnavwkfewqrngkkqycetskf

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4o5sB (B:)
meipvieplftkmtedipgatgpvfdkngdfyvvasplsealtkanspaeaykasrgage
ilhidlktgkktvickpevngyggspigcqcdrdanqlfvadmrlgllvvqtegtfeeia
kkdsegrcmqgcaycafdyegnlwitapaggvapadftislrekfgsiycfttdgqmiqv
dtafqcpagiavrhmndgrpyqlivaeqptkklwsydikgpanienkkvwghipgthkgg
aagmvfdednnllvanwgsshievfgpdggqpkmrircpfekpanlhfkpqtktifvteh
dnnavwkfewqrngkkqycetskfgifgslehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4o5sB (B:)
eipvieplftkmtedipgatgpvfdkngdfyvvasplsealtksrgageilhidlktgkk
tvickpevngyggspigcqcdrdanqlfvadmrlgllvvqtegtfeeiakkdsegrcmqg
caycafdyegnlwitapaggvapadftislrekfgsiycfttdgqmiqvdtafqcpagia
vrhmndgrpyqlivaeqptkklwsydikgpanienkkvwghipgthkggaagmvfdednn
llvanwgsshievfgpdggqpkmrircpfekpanlhfkpqtktifvtehdnnavwkfewq
rngkkqycetsk