PDB entry 3e3i

View 3e3i on RCSB PDB site
Description: H. influenzae beta-carbonic anhydrase, variant G41A with 100 mM bicarbonate
Class: lyase
Keywords: beta carbonic anhydrase, allosteric site mutant, Lyase, Metal-binding
Deposited on 2008-08-07, released 2009-08-18
The last revision prior to the SCOPe 2.05 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.203
AEROSPACI score: 0.44 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Carbonic anhydrase 2
    Species: Haemophilus influenzae [TaxId:727]
    Gene: can, HI1301
    Database cross-references and differences (RAF-indexed):
    • Uniprot P45148 (0-End)
      • engineered (40)
    Domains in SCOPe 2.05: d3e3ia_
  • Chain 'B':
    Compound: Carbonic anhydrase 2
    Species: Haemophilus influenzae [TaxId:727]
    Gene: can, HI1301
    Database cross-references and differences (RAF-indexed):
    • Uniprot P45148 (0-End)
      • engineered (40)
    Domains in SCOPe 2.05: d3e3ib_
  • Chain 'C':
    Compound: Carbonic anhydrase 2
    Species: Haemophilus influenzae [TaxId:727]
    Gene: can, HI1301
    Database cross-references and differences (RAF-indexed):
    • Uniprot P45148 (0-End)
      • engineered (40)
    Domains in SCOPe 2.05: d3e3ic_
  • Chain 'D':
    Compound: Carbonic anhydrase 2
    Species: Haemophilus influenzae [TaxId:727]
    Gene: can, HI1301
    Database cross-references and differences (RAF-indexed):
    • Uniprot P45148 (0-End)
      • engineered (40)
    Domains in SCOPe 2.05: d3e3id_
  • Chain 'E':
    Compound: Carbonic anhydrase 2
    Species: Haemophilus influenzae [TaxId:727]
    Gene: can, HI1301
    Database cross-references and differences (RAF-indexed):
    • Uniprot P45148 (0-End)
      • engineered (40)
    Domains in SCOPe 2.05: d3e3ie_
  • Chain 'F':
    Compound: Carbonic anhydrase 2
    Species: Haemophilus influenzae [TaxId:727]
    Gene: can, HI1301
    Database cross-references and differences (RAF-indexed):
    • Uniprot P45148 (0-End)
      • engineered (40)
    Domains in SCOPe 2.05: d3e3if_
  • Chain 'G':
    Compound: Carbonic anhydrase 2
    Species: Haemophilus influenzae [TaxId:727]
    Gene: can, HI1301
    Database cross-references and differences (RAF-indexed):
    • Uniprot P45148 (0-End)
      • engineered (40)
    Domains in SCOPe 2.05: d3e3ig_
  • Chain 'H':
    Compound: Carbonic anhydrase 2
    Species: Haemophilus influenzae [TaxId:727]
    Gene: can, HI1301
    Database cross-references and differences (RAF-indexed):
    • Uniprot P45148 (0-End)
      • engineered (40)
    Domains in SCOPe 2.05: d3e3ih_
  • Chain 'I':
    Compound: Carbonic anhydrase 2
    Species: Haemophilus influenzae [TaxId:727]
    Gene: can, HI1301
    Database cross-references and differences (RAF-indexed):
    • Uniprot P45148 (0-End)
      • engineered (40)
    Domains in SCOPe 2.05: d3e3ii_
  • Chain 'J':
    Compound: Carbonic anhydrase 2
    Species: Haemophilus influenzae [TaxId:727]
    Gene: can, HI1301
    Database cross-references and differences (RAF-indexed):
    • Uniprot P45148 (0-End)
      • engineered (40)
    Domains in SCOPe 2.05: d3e3ij_
  • Chain 'K':
    Compound: Carbonic anhydrase 2
    Species: Haemophilus influenzae [TaxId:727]
    Gene: can, HI1301
    Database cross-references and differences (RAF-indexed):
    • Uniprot P45148 (0-End)
      • engineered (40)
    Domains in SCOPe 2.05: d3e3ik_
  • Chain 'L':
    Compound: Carbonic anhydrase 2
    Species: Haemophilus influenzae [TaxId:727]
    Gene: can, HI1301
    Database cross-references and differences (RAF-indexed):
    • Uniprot P45148 (0-End)
      • engineered (40)
    Domains in SCOPe 2.05: d3e3il_
  • Heterogens: ZN, SO4, BCT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3e3iA (A:)
    mdkikqlfannyswaqrmkeenstyfkeladhqtphylwiacsdsrvpaekltnlepgel
    fvhrnvanqvihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwl
    lhirdiwfkhghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwv
    ydvndgflvdqgvmatsretleisyrnaiarlsildeenilkkdhlent
    

    Sequence, based on observed residues (ATOM records): (download)
    >3e3iA (A:)
    mdkikqlfannyswaqrmkeetphylwiacsdsrvpaekltnlepgelfvhrnvanqvih
    tdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwllhirdiwfkhgh
    llgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwvydvndgflvdqg
    vmatsretleisyrnaiarlsildeeni
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3e3iB (B:)
    mdkikqlfannyswaqrmkeenstyfkeladhqtphylwiacsdsrvpaekltnlepgel
    fvhrnvanqvihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwl
    lhirdiwfkhghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwv
    ydvndgflvdqgvmatsretleisyrnaiarlsildeenilkkdhlent
    

    Sequence, based on observed residues (ATOM records): (download)
    >3e3iB (B:)
    mdkikqlfannyswaqrmkeeladhqtphylwiacsdsrvpaekltnlepgelfvhrnva
    nqvihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwllhirdiw
    fkhghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwvydvndgf
    lvdqgvmatsretleisyrnaiarlsildeen
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3e3iC (C:)
    mdkikqlfannyswaqrmkeenstyfkeladhqtphylwiacsdsrvpaekltnlepgel
    fvhrnvanqvihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwl
    lhirdiwfkhghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwv
    ydvndgflvdqgvmatsretleisyrnaiarlsildeenilkkdhlent
    

    Sequence, based on observed residues (ATOM records): (download)
    >3e3iC (C:)
    mdkikqlfannyswaqrmkeetphylwiacsdsrvpaekltnlepgelfvhrnvanqvih
    tdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwllhirdiwfkhgh
    llgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwvydvndgflvdqg
    vmatsretleisyrnaiarlsildeeni
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3e3iD (D:)
    mdkikqlfannyswaqrmkeenstyfkeladhqtphylwiacsdsrvpaekltnlepgel
    fvhrnvanqvihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwl
    lhirdiwfkhghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwv
    ydvndgflvdqgvmatsretleisyrnaiarlsildeenilkkdhlent
    

    Sequence, based on observed residues (ATOM records): (download)
    >3e3iD (D:)
    mdkikqlfannyswaqrmkeeladhqtphylwiacsdsrvpaekltnlepgelfvhrnva
    nqvihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwllhirdiw
    fkhghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwvydvndgf
    lvdqgvmatsretleisyrnaiarlsildeeni
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >3e3iE (E:)
    mdkikqlfannyswaqrmkeenstyfkeladhqtphylwiacsdsrvpaekltnlepgel
    fvhrnvanqvihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwl
    lhirdiwfkhghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwv
    ydvndgflvdqgvmatsretleisyrnaiarlsildeenilkkdhlent
    

    Sequence, based on observed residues (ATOM records): (download)
    >3e3iE (E:)
    mdkikqlfannyswaqrmkeeladhqtphylwiacsdsrvpaekltnlepgelfvhrnva
    nqvihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwllhirdiw
    fkhghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwvydvndgf
    lvdqgvmatsretleisyrnaiarlsildeen
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >3e3iF (F:)
    mdkikqlfannyswaqrmkeenstyfkeladhqtphylwiacsdsrvpaekltnlepgel
    fvhrnvanqvihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwl
    lhirdiwfkhghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwv
    ydvndgflvdqgvmatsretleisyrnaiarlsildeenilkkdhlent
    

    Sequence, based on observed residues (ATOM records): (download)
    >3e3iF (F:)
    mdkikqlfannyswaqrmkeeladhqtphylwiacsdsrvpaekltnlepgelfvhrnva
    nqvihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwllhirdiw
    fkhghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwvydvndgf
    lvdqgvmatsretleisyrnaiarlsil
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >3e3iG (G:)
    mdkikqlfannyswaqrmkeenstyfkeladhqtphylwiacsdsrvpaekltnlepgel
    fvhrnvanqvihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwl
    lhirdiwfkhghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwv
    ydvndgflvdqgvmatsretleisyrnaiarlsildeenilkkdhlent
    

    Sequence, based on observed residues (ATOM records): (download)
    >3e3iG (G:)
    mdkikqlfannyswaqrmkeeladhqtphylwiacsdsrvpaekltnlepgelfvhrnva
    nqvihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwllhirdiw
    fkhghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwvydvndgf
    lvdqgvmatsretleisyrnaiarlsildeenil
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >3e3iH (H:)
    mdkikqlfannyswaqrmkeenstyfkeladhqtphylwiacsdsrvpaekltnlepgel
    fvhrnvanqvihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwl
    lhirdiwfkhghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwv
    ydvndgflvdqgvmatsretleisyrnaiarlsildeenilkkdhlent
    

    Sequence, based on observed residues (ATOM records): (download)
    >3e3iH (H:)
    mdkikqlfannyswaqrmkeehqtphylwiacsdsrvpaekltnlepgelfvhrnvanqv
    ihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwllhirdiwfkh
    ghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwvydvndgflvd
    qgvmatsretleisyrnaiarlsildeen
    

  • Chain 'I':
    Sequence, based on SEQRES records: (download)
    >3e3iI (I:)
    mdkikqlfannyswaqrmkeenstyfkeladhqtphylwiacsdsrvpaekltnlepgel
    fvhrnvanqvihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwl
    lhirdiwfkhghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwv
    ydvndgflvdqgvmatsretleisyrnaiarlsildeenilkkdhlent
    

    Sequence, based on observed residues (ATOM records): (download)
    >3e3iI (I:)
    mdkikqlfannyswaqrmkeehqtphylwiacsdsrvpaekltnlepgelfvhrnvanqv
    ihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwllhirdiwfkh
    ghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwvydvndgflvd
    qgvmatsretleisyrnaiarlsildeeni
    

  • Chain 'J':
    Sequence, based on SEQRES records: (download)
    >3e3iJ (J:)
    mdkikqlfannyswaqrmkeenstyfkeladhqtphylwiacsdsrvpaekltnlepgel
    fvhrnvanqvihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwl
    lhirdiwfkhghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwv
    ydvndgflvdqgvmatsretleisyrnaiarlsildeenilkkdhlent
    

    Sequence, based on observed residues (ATOM records): (download)
    >3e3iJ (J:)
    mdkikqlfannyswaqrmkeehqtphylwiacsdsrvpaekltnlepgelfvhrnvanqv
    ihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwllhirdiwfkh
    ghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwvydvndgflvd
    qgvmatsretleisyrnaiarlsil
    

  • Chain 'K':
    Sequence, based on SEQRES records: (download)
    >3e3iK (K:)
    mdkikqlfannyswaqrmkeenstyfkeladhqtphylwiacsdsrvpaekltnlepgel
    fvhrnvanqvihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwl
    lhirdiwfkhghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwv
    ydvndgflvdqgvmatsretleisyrnaiarlsildeenilkkdhlent
    

    Sequence, based on observed residues (ATOM records): (download)
    >3e3iK (K:)
    mdkikqlfannyswaqrmkeehqtphylwiacsdsrvpaekltnlepgelfvhrnvanqv
    ihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwllhirdiwfkh
    ghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwvydvndgflvd
    qgvmatsretleisyrnaiarlsildeen
    

  • Chain 'L':
    Sequence, based on SEQRES records: (download)
    >3e3iL (L:)
    mdkikqlfannyswaqrmkeenstyfkeladhqtphylwiacsdsrvpaekltnlepgel
    fvhrnvanqvihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwl
    lhirdiwfkhghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwv
    ydvndgflvdqgvmatsretleisyrnaiarlsildeenilkkdhlent
    

    Sequence, based on observed residues (ATOM records): (download)
    >3e3iL (L:)
    mdkikqlfannyswaqrmkeehqtphylwiacsdsrvpaekltnlepgelfvhrnvanqv
    ihtdfnclsvvqyavdvlkiehiiicghtncggihaamadkdlglinnwllhirdiwfkh
    ghllgklspekradmltkinvaeqvynlgrtsivksawergqklslhgwvydvndgflvd
    qgvmatsretleisyrnaiarlsild