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Structure paper

TitleStructural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Journal, issue, pagesProc. Natl. Acad. Sci. U.S.A., Vol. 114, Page 4727-4732, Year 2017
Publish dateJul 31, 2015 (structure data deposition date)
AuthorsNewton, M.S. / Guo, X. / Soderholm, A. / Nasvall, J. / Lundstrom, P. / Andersson, D.I. / Selmer, M. / Patrick, W.M.
External linksProc. Natl. Acad. Sci. U.S.A. / PubMed:28416687
MethodsX-ray diffraction
Resolution1.6 - 2.65 Å
Structure data

PDB-5ab3:
S.enterica HisA mutant D7N, D10G, dup13-15, Q24L, G102A
Method: X-RAY DIFFRACTION / Resolution: 1.803 Å

PDB-5ac7:
S. enterica HisA with mutations D7N, D10G, dup13-15
Method: X-RAY DIFFRACTION / Resolution: 1.904 Å

PDB-5ac8:
S. enterica HisA with mutations D10G, dup13-15, G102A
Method: X-RAY DIFFRACTION / Resolution: 1.699 Å

PDB-5g1t:
S. enterica HisA mutant dup13-15, D10G
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-5g1y:
S. enterica HisA mutant D10G, dup13-15,V14:2M, Q24L, G102
Method: X-RAY DIFFRACTION / Resolution: 1.798 Å

PDB-5g2h:
S. enterica HisA with mutation L169R
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-5g2i:
S. enterica HisA mutant Dup13-15(VVR)
Method: X-RAY DIFFRACTION / Resolution: 1.601 Å

PDB-5g2w:
S. enterica HisA mutant D10G, G102A
Method: X-RAY DIFFRACTION / Resolution: 2.099 Å

PDB-5g4e:
S. enterica HisA mutant D10G, Dup13-15, Q24L, G102A, V106L
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

PDB-5g4w:
S. enterica HisA mutant D7N, D10G, Dup13-15 (VVR) with substrate ProFAR
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-5g5i:
S. enterica HisA mutant D10G
Method: X-RAY DIFFRACTION / Resolution: 2.001 Å

PDB-5l6u:
S. ENTERICA HISA MUTANT - D10G, DUP13-15, Q24L, G102A
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-5l9f:
S. enterica HisA mutant - D10G, G11D, dup13-15, G44E, G102A
Method: X-RAY DIFFRACTION / Resolution: 2.594 Å

Chemicals

ChemComp-2ER:
[(2R,3S,4R,5R)-5-[4-AMINOCARBONYL-5-[[(Z)-[(3R,4R)-3,4-DIHYDROXY-2-OXO-5-PHOSPHONOOXY-PENTYL]IMINOMETHYL]AMINO]IMIDAZOL-1-YL]-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-PO4:
PHOSPHATE ION

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

ChemComp-ACY:
ACETIC ACID

ChemComp-GUO:
[(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Source
  • salmonella enterica subsp. enterica serovar cubana str. 76814 (bacteria)
  • salmonella enterica (bacteria)
  • salmonella choleraesuis (bacteria)
KeywordsISOMERASE / HISA / PROTEIN EVOLUTION / IAD MODEL / TRPF

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