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 2.08 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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