PDB entry 3k1a

View 3k1a on RCSB PDB site
Description: Insights into substrate binding at FeMo-cofactor in nitrogenase from the structure of an alpha-70Ile MoFe protein variant
Class: oxidoreductase
Keywords: NITROGEN FIXATION, MoFe protein, nitrogenase, isoleucine, proton reduction, nitrogen, acetylene, hydride reduction, ATP-binding, Iron, Iron-sulfur, Metal-binding, Nucleotide-binding, Oxidoreductase, Molybdenum
Deposited on 2009-09-26, released 2010-02-16
The last revision prior to the SCOPe 2.01 freeze date was dated 2010-03-02, with a file datestamp of 2010-02-26.
Experiment type: XRAY
Resolution: 2.23 Å
R-factor: 0.207
AEROSPACI score: 0.36 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: nitrogenase molybdenum-iron protein alpha chain
    Species: Azotobacter vinelandii [TaxId:354]
    Gene: nifDK, nifK
    Database cross-references and differences (RAF-indexed):
    • Uniprot P07328
      • engineered (68)
    Domains in SCOPe 2.01: d3k1aa_
  • Chain 'B':
    Compound: nitrogenase molybdenum-iron protein beta chain
    Species: Azotobacter vinelandii [TaxId:354]
    Gene: nifD
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.01: d3k1ab_
  • Chain 'C':
    Compound: nitrogenase molybdenum-iron protein alpha chain
    Species: Azotobacter vinelandii [TaxId:354]
    Gene: nifDK, nifK
    Database cross-references and differences (RAF-indexed):
    • Uniprot P07328
      • engineered (68)
    Domains in SCOPe 2.01: d3k1ac_
  • Chain 'D':
    Compound: nitrogenase molybdenum-iron protein beta chain
    Species: Azotobacter vinelandii [TaxId:354]
    Gene: nifD
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.01: d3k1ad_
  • Heterogens: HCA, CFN, CLF, CA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3k1aA (A:)
tgmsreevesliqevlevypekarkdrnkhlavndpavtqskkciisnkksqpglmtirg
cayagskgivwgpikdmihishgpvgcgqysragrrnyyigttgvnafvtmnftsdfqek
divfggdkklaklidevetlfplnkgisvqsecpigligddiesvskvkgaelsktivpv
rcegfrgvsqslghhiandavrdwvlgkrdedttfastpydvaiigdyniggdawssril
leemglrcvaqwsgdgsiseieltpkvklnlvhcyrsmnyisrhmeekygipwmeynffg
ptktieslraiaakfdesiqkkceeviakykpeweavvakyrprlegkrvmlyigglrpr
hvigayedlgmevvgtgyefahnddydrtmkemgdstllyddvtgyefeefvkrikpdli
gsgikekfifqkmgipfremhswdysgpyhgfdgfaifardmdmtlnnpcwkklqapwea
segaekvaasa

    Sequence, based on observed residues (ATOM records): (download) 
    >3k1aA (A:)
sreevesliqevlevypekarkdrnkhlavnciisnkksqpglmtirgcayagskgivwg
pikdmihishgpvgcgqysragrrnyyigttgvnafvtmnftsdfqekdivfggdkklak
lidevetlfplnkgisvqsecpigligddiesvskvkgaelsktivpvrcegfrgvsqsl
ghhiandavrdwvlgkrdedttfastpydvaiigdyniggdawssrilleemglrcvaqw
sgdgsiseieltpkvklnlvhcyrsmnyisrhmeekygipwmeynffgptktieslraia
akfdesiqkkceeviakykpeweavvakyrprlegkrvmlyigglrprhvigayedlgme
vvgtgyefahnddydrtmkemgdstllyddvtgyefeefvkrikpdligsgikekfifqk
mgipfremhswdysgpyhgfdgfaifardmdmtlnnpcwkklqapwe

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3k1aB (B:)
sqqvdkikasyplfldqdykdmlakkrdgfeekypqdkidevfqwtttkeyqelnfqrea
ltvnpakacqplgavlcalgfektmpyvhgsqgcvayfrsyfnrhfrepvscvsdsmted
aavfggqqnmkdglqnckatykpdmiavsttcmaevigddlnafinnskkegfipdefpv
pfahtpsfvgshvtgwdnmfegiaryftlksmddkvvgsnkkinivpgfetylgnfrvik
rmlsemgvgysllsdpeevldtpadgqfrmyaggttqeemkdapnalntvllqpwhlekt
kkfvegtwkhevpklnipmgldwtdeflmkvseisgqpipasltkergrlvdmmtdshtw
lhgkrfalwgdpdfvmglvkfllelgcepvhilchngnkrwkkavdailaaspygknatv
yigkdlwhlrslvftdkpdfmignsygkfiqrdtlhkgkefevplirigfpifdrhhlhr
sttlgyegamqilttlvnsilerldeetrgmqatdynhdlvr

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3k1aC (C:)
tgmsreevesliqevlevypekarkdrnkhlavndpavtqskkciisnkksqpglmtirg
cayagskgivwgpikdmihishgpvgcgqysragrrnyyigttgvnafvtmnftsdfqek
divfggdkklaklidevetlfplnkgisvqsecpigligddiesvskvkgaelsktivpv
rcegfrgvsqslghhiandavrdwvlgkrdedttfastpydvaiigdyniggdawssril
leemglrcvaqwsgdgsiseieltpkvklnlvhcyrsmnyisrhmeekygipwmeynffg
ptktieslraiaakfdesiqkkceeviakykpeweavvakyrprlegkrvmlyigglrpr
hvigayedlgmevvgtgyefahnddydrtmkemgdstllyddvtgyefeefvkrikpdli
gsgikekfifqkmgipfremhswdysgpyhgfdgfaifardmdmtlnnpcwkklqapwea
segaekvaasa

    Sequence, based on observed residues (ATOM records): (download) 
    >3k1aC (C:)
sreevesliqevlevypekarkdrnkhlavnciisnkksqpglmtirgcayagskgivwg
pikdmihishgpvgcgqysragrrnyyigttgvnafvtmnftsdfqekdivfggdkklak
lidevetlfplnkgisvqsecpigligddiesvskvkgaelsktivpvrcegfrgvsqsl
ghhiandavrdwvlgkrdedttfastpydvaiigdyniggdawssrilleemglrcvaqw
sgdgsiseieltpkvklnlvhcyrsmnyisrhmeekygipwmeynffgptktieslraia
akfdesiqkkceeviakykpeweavvakyrprlegkrvmlyigglrprhvigayedlgme
vvgtgyefahnddydrtmkemgdstllyddvtgyefeefvkrikpdligsgikekfifqk
mgipfremhswdysgpyhgfdgfaifardmdmtlnnpcwkklqapwea

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3k1aD (D:)
sqqvdkikasyplfldqdykdmlakkrdgfeekypqdkidevfqwtttkeyqelnfqrea
ltvnpakacqplgavlcalgfektmpyvhgsqgcvayfrsyfnrhfrepvscvsdsmted
aavfggqqnmkdglqnckatykpdmiavsttcmaevigddlnafinnskkegfipdefpv
pfahtpsfvgshvtgwdnmfegiaryftlksmddkvvgsnkkinivpgfetylgnfrvik
rmlsemgvgysllsdpeevldtpadgqfrmyaggttqeemkdapnalntvllqpwhlekt
kkfvegtwkhevpklnipmgldwtdeflmkvseisgqpipasltkergrlvdmmtdshtw
lhgkrfalwgdpdfvmglvkfllelgcepvhilchngnkrwkkavdailaaspygknatv
yigkdlwhlrslvftdkpdfmignsygkfiqrdtlhkgkefevplirigfpifdrhhlhr
sttlgyegamqilttlvnsilerldeetrgmqatdynhdlvr