PDB entry 3a50

View 3a50 on RCSB PDB site
Description: Structure of cytochrome P450 Vdh mutant (Vdh-K1) obtained by directed evolution with bound vitamin D3
Class: oxidoreductase
Keywords: Cytochrome P450, vitamin D3 hydroxylase, hemoprotein, monooxygenase, directed evolution, oxidoreductase
Deposited on 2009-07-24, released 2010-07-28
The last revision prior to the SCOPe 2.07 freeze date was dated 2010-11-17, with a file datestamp of 2010-11-12.
Experiment type: XRAY
Resolution: 2.05 Å
R-factor: 0.203
AEROSPACI score: 0.41 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Vitamin D hydroxylase
    Species: Pseudonocardia autotrophica [TaxId:2074]
    Gene: vdh
    Database cross-references and differences (RAF-indexed):
    • Uniprot C4B644 (Start-402)
      • engineered mutation (69)
      • engineered mutation (155)
      • engineered mutation (215)
      • engineered mutation (383)
    Domains in SCOPe 2.07: d3a50a_
  • Chain 'B':
    Compound: Vitamin D hydroxylase
    Species: Pseudonocardia autotrophica [TaxId:2074]
    Gene: vdh
    Database cross-references and differences (RAF-indexed):
    • Uniprot C4B644 (Start-402)
      • engineered mutation (69)
      • engineered mutation (155)
      • engineered mutation (215)
      • engineered mutation (383)
    Domains in SCOPe 2.07: d3a50b_
  • Chain 'C':
    Compound: Vitamin D hydroxylase
    Species: Pseudonocardia autotrophica [TaxId:2074]
    Gene: vdh
    Database cross-references and differences (RAF-indexed):
    • Uniprot C4B644
      • engineered mutation (69)
      • engineered mutation (155)
      • engineered mutation (215)
      • engineered mutation (383)
    Domains in SCOPe 2.07: d3a50c_
  • Chain 'D':
    Compound: Vitamin D hydroxylase
    Species: Pseudonocardia autotrophica [TaxId:2074]
    Gene: vdh
    Database cross-references and differences (RAF-indexed):
    • Uniprot C4B644
      • engineered mutation (69)
      • engineered mutation (155)
      • engineered mutation (215)
      • engineered mutation (383)
    Domains in SCOPe 2.07: d3a50d_
  • Chain 'E':
    Compound: Vitamin D hydroxylase
    Species: Pseudonocardia autotrophica [TaxId:2074]
    Gene: vdh
    Database cross-references and differences (RAF-indexed):
    • Uniprot C4B644
      • engineered mutation (69)
      • engineered mutation (155)
      • engineered mutation (215)
      • engineered mutation (383)
    Domains in SCOPe 2.07: d3a50e_
  • Heterogens: HEM, VD3, ACT, CA, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3a50A (A:)
    maltttgteqhdlfsgtfwqnphpayaalraedpvrklalpdgpvwlltryadvreafvd
    prlskdwrhrlpedqradmpatptpmmilmdppdhtrlrklvgrsftvrrmneleprite
    iadgllaglptdgpvdlmreyafqipvqvicellglpaedrddfsawssvlvddspaddk
    naamgklhgylsdllerkrtepddallssllavsdmdgdrlsqeelvamamllliaghet
    tvnligngvlallthpdqrkllaedpslissaveeflrfdspvsqapirftaedvtysgv
    tipagemvmlglaaanrdadwmpepdrlditrdasggvffghgihfclgaqlarlegrva
    igrlfadrpelalavgldelvyrrstlvrglsrmpvtmgprsalehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3a50A (A:)
    altttgteqhdlfsgtfwqnphpayaalraedpvrklalpdgpvwlltryadvreafvdp
    rlskdwrhrlpedqradmpatptpmmilmdppdhtrlrklvgrsftvrrmnelepritei
    adgllaglptdgpvdlmreyafqipvqvicellglpaedrddfsawssvlvddspaddkn
    aamgklhgylsdllerkrtepddallssllavsdmdgdrlsqeelvamamllliaghett
    vnligngvlallthpdqrkllaedpslissaveeflrfdspvsqapirftaedvtysgvt
    ipagemvmlglaaanrdadwmpepdrlditrdasggvffghgihfclgaqlarlegrvai
    grlfadrpelalavgldelvyrrstlvrglsrmpvtmgprsa
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3a50B (B:)
    maltttgteqhdlfsgtfwqnphpayaalraedpvrklalpdgpvwlltryadvreafvd
    prlskdwrhrlpedqradmpatptpmmilmdppdhtrlrklvgrsftvrrmneleprite
    iadgllaglptdgpvdlmreyafqipvqvicellglpaedrddfsawssvlvddspaddk
    naamgklhgylsdllerkrtepddallssllavsdmdgdrlsqeelvamamllliaghet
    tvnligngvlallthpdqrkllaedpslissaveeflrfdspvsqapirftaedvtysgv
    tipagemvmlglaaanrdadwmpepdrlditrdasggvffghgihfclgaqlarlegrva
    igrlfadrpelalavgldelvyrrstlvrglsrmpvtmgprsalehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3a50B (B:)
    altttgteqhdlfsgtfwqnphpayaalraedpvrklalpdgpvwlltryadvreafvdp
    rlskdwrhrlpedqradmpatptpmmilmdppdhtrlrklvgrsftvrrmnelepritei
    adgllaglptdgpvdlmreyafqipvqvicellglpaedrddfsawssvlvddspaddkn
    aamgklhgylsdllerkrtepddallssllavsdmdgdrlsqeelvamamllliaghett
    vnligngvlallthpdqrkllaedpslissaveeflrfdspvsqapirftaedvtysgvt
    ipagemvmlglaaanrdadwmpepdrlditrdasggvffghgihfclgaqlarlegrvai
    grlfadrpelalavgldelvyrrstlvrglsrmpvtmgprsa
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3a50C (C:)
    maltttgteqhdlfsgtfwqnphpayaalraedpvrklalpdgpvwlltryadvreafvd
    prlskdwrhrlpedqradmpatptpmmilmdppdhtrlrklvgrsftvrrmneleprite
    iadgllaglptdgpvdlmreyafqipvqvicellglpaedrddfsawssvlvddspaddk
    naamgklhgylsdllerkrtepddallssllavsdmdgdrlsqeelvamamllliaghet
    tvnligngvlallthpdqrkllaedpslissaveeflrfdspvsqapirftaedvtysgv
    tipagemvmlglaaanrdadwmpepdrlditrdasggvffghgihfclgaqlarlegrva
    igrlfadrpelalavgldelvyrrstlvrglsrmpvtmgprsalehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3a50C (C:)
    altttgteqhdlfsgtfwqnphpayaalraedpvrklalpdgpvwlltryadvreafvdp
    rlskdwrhrlpedqradmpatptpmmilmdppdhtrlrklvgrsftvrrmnelepritei
    adgllaglptdgpvdlmreyafqipvqvicellglpaedrddfsawssvlvddspaddkn
    aamgklhgylsdllerkrtepddallssllavsdmdgdrlsqeelvamamllliaghett
    vnligngvlallthpdqrkllaedpslissaveeflrfdspvsqapirftaedvtysgvt
    ipagemvmlglaaanrdadwmpepdrlditrdasggvffghgihfclgaqlarlegrvai
    grlfadrpelalavgldelvyrrstlvrglsrmpvtmgprs
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3a50D (D:)
    maltttgteqhdlfsgtfwqnphpayaalraedpvrklalpdgpvwlltryadvreafvd
    prlskdwrhrlpedqradmpatptpmmilmdppdhtrlrklvgrsftvrrmneleprite
    iadgllaglptdgpvdlmreyafqipvqvicellglpaedrddfsawssvlvddspaddk
    naamgklhgylsdllerkrtepddallssllavsdmdgdrlsqeelvamamllliaghet
    tvnligngvlallthpdqrkllaedpslissaveeflrfdspvsqapirftaedvtysgv
    tipagemvmlglaaanrdadwmpepdrlditrdasggvffghgihfclgaqlarlegrva
    igrlfadrpelalavgldelvyrrstlvrglsrmpvtmgprsalehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3a50D (D:)
    altttgteqhdlfsgtfwqnphpayaalraedpvrklalpdgpvwlltryadvreafvdp
    rlskdwrhrlpedqradmpatptpmmilmdppdhtrlrklvgrsftvrrmnelepritei
    adgllaglptdgpvdlmreyafqipvqvicellglpaedrddfsawssvlvddspaddkn
    aamgklhgylsdllerkrtepddallssllavsdmdgdrlsqeelvamamllliaghett
    vnligngvlallthpdqrkllaedpslissaveeflrfdspvsqapirftaedvtysgvt
    ipagemvmlglaaanrdadwmpepdrlditrdasggvffghgihfclgaqlarlegrvai
    grlfadrpelalavgldelvyrrstlvrglsrmpvtmgprs
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >3a50E (E:)
    maltttgteqhdlfsgtfwqnphpayaalraedpvrklalpdgpvwlltryadvreafvd
    prlskdwrhrlpedqradmpatptpmmilmdppdhtrlrklvgrsftvrrmneleprite
    iadgllaglptdgpvdlmreyafqipvqvicellglpaedrddfsawssvlvddspaddk
    naamgklhgylsdllerkrtepddallssllavsdmdgdrlsqeelvamamllliaghet
    tvnligngvlallthpdqrkllaedpslissaveeflrfdspvsqapirftaedvtysgv
    tipagemvmlglaaanrdadwmpepdrlditrdasggvffghgihfclgaqlarlegrva
    igrlfadrpelalavgldelvyrrstlvrglsrmpvtmgprsalehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3a50E (E:)
    altttgteqhdlfsgtfwqnphpayaalraedpvrklalpdgpvwlltryadvreafvdp
    rlskdwrhrlpedqradmpatptpmmilmdppdhtrlrklvgrsftvrrmnelepritei
    adgllaglptdgpvdlmreyafqipvqvicellglpaedrddfsawssvlvddspaddkn
    aamgklhgylsdllerkrtepddallssllavsdmdgdrlsqeelvamamllliaghett
    vnligngvlallthpdqrkllaedpslissaveeflrfdspvsqapirftaedvtysgvt
    ipagemvmlglaaanrdadwmpepdrlditrdasggvffghgihfclgaqlarlegrvai
    grlfadrpelalavgldelvyrrstlvrglsrmpvtmgprs