PDB entry 3ern

View 3ern on RCSB PDB site
Description: Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with AraCMP
Class: lyase
Keywords: MECDP-synthase, Isoprene biosynthesis, Lyase, Magnesium, Manganese, Metal-binding
Deposited on 2008-10-02, released 2009-08-25
The last revision prior to the SCOPe 2.06 freeze date was dated 2009-08-25, with a file datestamp of 2009-08-21.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.219
AEROSPACI score: 0.37 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
    Species: Escherichia coli K-12 [TaxId:83333]
    Gene: ISPF
    Database cross-references and differences (RAF-indexed):
    • Uniprot P62617 (6-End)
      • expression tag (5)
    Domains in SCOPe 2.06: d3erna1, d3erna2
  • Chain 'B':
    Compound: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
    Species: Escherichia coli K-12 [TaxId:83333]
    Gene: ISPF
    Database cross-references and differences (RAF-indexed):
    • Uniprot P62617 (6-End)
      • expression tag (5)
    Domains in SCOPe 2.06: d3ernb1, d3ernb2
  • Chain 'C':
    Compound: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
    Species: Escherichia coli K-12 [TaxId:83333]
    Gene: ISPF
    Database cross-references and differences (RAF-indexed):
    • Uniprot P62617 (6-End)
      • expression tag (5)
    Domains in SCOPe 2.06: d3ernc1, d3ernc2
  • Chain 'D':
    Compound: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
    Species: Escherichia coli K-12 [TaxId:83333]
    Gene: ISPF
    Database cross-references and differences (RAF-indexed):
    • Uniprot P62617 (6-End)
      • expression tag (5)
    Domains in SCOPe 2.06: d3ernd1, d3ernd2
  • Chain 'E':
    Compound: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
    Species: Escherichia coli K-12 [TaxId:83333]
    Gene: ISPF
    Database cross-references and differences (RAF-indexed):
    • Uniprot P62617 (6-End)
      • expression tag (5)
    Domains in SCOPe 2.06: d3erne1, d3erne2
  • Chain 'F':
    Compound: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
    Species: Escherichia coli K-12 [TaxId:83333]
    Gene: ISPF
    Database cross-references and differences (RAF-indexed):
    • Uniprot P62617 (6-End)
      • expression tag (5)
    Domains in SCOPe 2.06: d3ernf1, d3ernf2
  • Heterogens: ZN, CAR, SO4, GPP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3ernA (A:)
gshmlemrighgfdvhafggegpiiiggvripyekgllahsdgdvalhaltdallgaaal
gdigklfpdtdpafkgadsrellreawrriqakgytlgnvdvtiiaqapkmlphipqmrv
fiaedlgchmddvnvkattteklgftgrgegiaceavallikatk

    Sequence, based on observed residues (ATOM records): (download) 
    >3ernA (A:)
emrighgfdvhafggegpiiiggvripyekgllahsdgdvalhaltdallgaaalgdigk
lfpdtdpafkgadsrellreawrriqakgytlgnvdvtiiaqapkmlphipqmrvfiaed
lgchmddvnvkattteklgftgrgegiaceavallik

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3ernB (B:)
gshmlemrighgfdvhafggegpiiiggvripyekgllahsdgdvalhaltdallgaaal
gdigklfpdtdpafkgadsrellreawrriqakgytlgnvdvtiiaqapkmlphipqmrv
fiaedlgchmddvnvkattteklgftgrgegiaceavallikatk

    Sequence, based on observed residues (ATOM records): (download) 
    >3ernB (B:)
emrighgfdvhafggegpiiiggvripyekgllahsdgdvalhaltdallgaaalgdigk
lfpdtdpafkgadsrellreawrriqakgytlgnvdvtiiaqapkmlphipqmrvfiaed
lgchmddvnvkattteklgftgrgegiaceavallik

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3ernC (C:)
gshmlemrighgfdvhafggegpiiiggvripyekgllahsdgdvalhaltdallgaaal
gdigklfpdtdpafkgadsrellreawrriqakgytlgnvdvtiiaqapkmlphipqmrv
fiaedlgchmddvnvkattteklgftgrgegiaceavallikatk

    Sequence, based on observed residues (ATOM records): (download) 
    >3ernC (C:)
emrighgfdvhafggegpiiiggvripyesdgdvalhaltdallgaaalgdigklfpdtd
pafkgadsrellreawrriqakgytlgnvdvtiiaqapkmlphipqmrvfiaedlgchmd
dvnvkattteklgftgrgegiaceavallik

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >3ernD (D:)
gshmlemrighgfdvhafggegpiiiggvripyekgllahsdgdvalhaltdallgaaal
gdigklfpdtdpafkgadsrellreawrriqakgytlgnvdvtiiaqapkmlphipqmrv
fiaedlgchmddvnvkattteklgftgrgegiaceavallikatk

    Sequence, based on observed residues (ATOM records): (download) 
    >3ernD (D:)
emrighgfdvhafggegpiiiggvripyekgllahsdgdvalhaltdallgaaalgdigk
lfpdtdpafkgadsrellreawrriqakgytlgnvdvtiiaqapkmlphipqmrvfiaed
lgchmddvnvkattteklgftgrgegiaceavallik

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >3ernE (E:)
gshmlemrighgfdvhafggegpiiiggvripyekgllahsdgdvalhaltdallgaaal
gdigklfpdtdpafkgadsrellreawrriqakgytlgnvdvtiiaqapkmlphipqmrv
fiaedlgchmddvnvkattteklgftgrgegiaceavallikatk

    Sequence, based on observed residues (ATOM records): (download) 
    >3ernE (E:)
emrighgfdvhafggegpiiiggvripyekgllahsdgdvalhaltdallgaaalgdigk
lfpdtdpafkgadsrellreawrriqakgytlgnvdvtiiaqapkmlphipqmrvfiaed
lgchmddvnvkattteklgftgrgegiaceavallik

  • Chain 'F':
    Sequence, based on SEQRES records: (download) 
    >3ernF (F:)
gshmlemrighgfdvhafggegpiiiggvripyekgllahsdgdvalhaltdallgaaal
gdigklfpdtdpafkgadsrellreawrriqakgytlgnvdvtiiaqapkmlphipqmrv
fiaedlgchmddvnvkattteklgftgrgegiaceavallikatk

    Sequence, based on observed residues (ATOM records): (download) 
    >3ernF (F:)
emrighgfdvhafgpiiiggvripyhsdgdvalhaltdallgaaalgdigklfpdtdpaf
kgadsrellreawrriqakgytlgnvdvtiiaqapkmlphipqmrvfiaedlgchmddvn
vkattteklgftgrgegiaceavallik