PDB entry 4osg

View 4osg on RCSB PDB site
Description: Klebsiella pneumoniae complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxyl-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006)
Class: Oxidoreductase/Oxidoreductase inhibitor
Keywords: Oxidoreductase, hydride shift, Oxidoreductase-Oxidoreductase inhibitor complex
Deposited on 2014-02-12, released 2014-12-03
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-12-17, with a file datestamp of 2014-12-12.
Experiment type: XRAY
Resolution: 2.7 Å
R-factor: 0.239
AEROSPACI score: 0.18 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: dihydrofolate reductase
    Species: Klebsiella pneumoniae CG43 [TaxId:1244085]
    Gene: folA, D364_00170
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4osga_
  • Chain 'B':
    Compound: dihydrofolate reductase
    Species: Klebsiella pneumoniae CG43 [TaxId:1244085]
    Gene: folA, D364_00170
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4osgb_
  • Chain 'C':
    Compound: dihydrofolate reductase
    Species: Klebsiella pneumoniae CG43 [TaxId:1244085]
    Gene: folA, D364_00170
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4osgc_
  • Chain 'D':
    Compound: dihydrofolate reductase
    Species: Klebsiella pneumoniae CG43 [TaxId:1244085]
    Gene: folA, D364_00170
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4osgd_
  • Heterogens: NAP, 06U, EOH, CAC, CL, PEG, CA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4osgA (A:)
    misliaalavdrvigmenampwnlpadlawfkrntlnkpvvmgrltwesigrplpgrkni
    visskpgsddrvqwvssveeaiaacgdveeimvigggrvyeqflpkaqklylthidaeve
    gdthfpdydpdewesvfsefhdadaqnshsycfeilerrhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4osgA (A:)
    misliaalavdrvigmenampwnlpadlawfkrntlnkpvvmgrltwesigrplpgrkni
    visskpgsddrvqwvssveeaiaacgdveeimvigggrvyeqflpkaqklylthidaeve
    gdthfpdydpdewesvfsefhdadaqnshsycfeilerr
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4osgB (B:)
    misliaalavdrvigmenampwnlpadlawfkrntlnkpvvmgrltwesigrplpgrkni
    visskpgsddrvqwvssveeaiaacgdveeimvigggrvyeqflpkaqklylthidaeve
    gdthfpdydpdewesvfsefhdadaqnshsycfeilerrhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4osgB (B:)
    misliaalavdrvigmenampwnlpadlawfkrntlnkpvvmgrltwesigrplpgrkni
    visskpgsddrvqwvssveeaiaacgdveeimvigggrvyeqflpkaqklylthidaeve
    gdthfpdydpdewesvfsefhdadaqnshsycfeilerr
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4osgC (C:)
    misliaalavdrvigmenampwnlpadlawfkrntlnkpvvmgrltwesigrplpgrkni
    visskpgsddrvqwvssveeaiaacgdveeimvigggrvyeqflpkaqklylthidaeve
    gdthfpdydpdewesvfsefhdadaqnshsycfeilerrhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4osgC (C:)
    misliaalavdrvigmenampwnlpadlawfkrntlnkpvvmgrltwesigrplpgrkni
    visskpgsddrvqwvssveeaiaacgdveeimvigggrvyeqflpkaqklylthidaeve
    gdthfpdydpdewesvfsefhdadaqnshsycfeilerr
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4osgD (D:)
    misliaalavdrvigmenampwnlpadlawfkrntlnkpvvmgrltwesigrplpgrkni
    visskpgsddrvqwvssveeaiaacgdveeimvigggrvyeqflpkaqklylthidaeve
    gdthfpdydpdewesvfsefhdadaqnshsycfeilerrhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4osgD (D:)
    misliaalavdrvigmenampwnlpadlawfkrntlnkpvvmgrltwesigrplpgrkni
    visskpgsddrvqwvssveeaiaacgdveeimvigggrvyeqflpkaqklylthidaeve
    gdthfpdydpdewesvfsefhdadaqnshsycfeilerr