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Structure paper

TitleEnsemble refinement of protein crystal structures: validation and application.
Journal, issue, pagesStructure, Vol. 15, Page 1040-1052, Year 2007
Publish dateMay 30, 2007 (structure data deposition date)
AuthorsLevin, E.J. / Kondrashov, D.A. / Wesenberg, G.E. / Phillips, G.N.
External linksStructure / PubMed:17850744
MethodsX-ray diffraction
Resolution1.15 - 3.3 Å
Structure data

PDB-2q3m:
Ensemble refinement of the protein crystal structure of an Arabidopsis thaliana putative steroid sulphotransferase
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-2q3o:
Ensemble refinement of the protein crystal structure of 12-oxo-phytodienoate reductase isoform 3
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-2q3p:
Ensemble refinement of the protein crystal structure of At3g17210 from Arabidopsis thaliana
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-2q3q:
Ensemble refinement of the protein crystal structure of At1g24000 from Arabidopsis thaliana
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-2q3r:
Ensemble refinement of the protein crystal structure of At1g76680 from Arabidopsis thaliana
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-2q3s:
Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At5g06450
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-2q3t:
Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At3g22680
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-2q3u:
Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At5g08170, agmatine iminohydrolase
Method: X-RAY DIFFRACTION / Resolution: 1.53 Å

PDB-2q3v:
Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At2g34160
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-2q3w:
Ensemble refinement of the protein crystal structure of the cys84ala cys85ala double mutant of the [2Fe-2S] ferredoxin subunit of toluene-4-monooxygenase from Pseudomonas mendocina KR1
Method: X-RAY DIFFRACTION / Resolution: 1.48 Å

PDB-2q40:
Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At2g17340
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-2q41:
Ensemble refinement of the protein crystal structure of spermidine synthase from Arabidopsis thaliana gene At1g23820
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-2q42:
Ensemble refinement of the protein crystal structure of glyoxalase II from Arabidopsis thaliana gene At2g31350
Method: X-RAY DIFFRACTION / Resolution: 1.742 Å

PDB-2q43:
Ensemble refinement of the protein crystal structure of IAA-aminoacid hydrolase from Arabidopsis thaliana gene At5g56660
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-2q44:
Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At1g77540
Method: X-RAY DIFFRACTION / Resolution: 1.15 Å

PDB-2q45:
Ensemble refinement of the protein crystal structure of putative tropinone reductase from Arabidopsis thaliana gene At1g07440
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-2q46:
Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At5g02240
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-2q47:
Ensemble refinement of the protein crystal structure of a putative phosphoprotein phosphatase from Arabidopsis thaliana gene At1g05000
Method: X-RAY DIFFRACTION / Resolution: 3.3 Å

PDB-2q48:
Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At5g48480
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-2q49:
Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At2g19940
Method: X-RAY DIFFRACTION / Resolution: 2.19 Å

PDB-2q4a:
Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At3g21360
Method: X-RAY DIFFRACTION / Resolution: 2.39 Å

PDB-2q4b:
Ensemble refinement of the protein crystal structure of selenomethionyl gene product from Arabidopsis thaliana At5g02240 in space group P21212
Method: X-RAY DIFFRACTION / Resolution: 2.096 Å

PDB-2q4c:
Ensemble refinement of the protein crystal structure of annexin from Arabidopsis thaliana gene At1g35720
Method: X-RAY DIFFRACTION / Resolution: 2.508 Å

PDB-2q4d:
Ensemble refinement of the crystal structure of a lysine decarboxylase-like protein from Arabidopsis thaliana gene At5g11950
Method: X-RAY DIFFRACTION / Resolution: 2.152 Å

PDB-2q4e:
Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At4g09670
Method: X-RAY DIFFRACTION / Resolution: 2.49 Å

PDB-2q4f:
Ensemble refinement of the crystal structure of putative histidine-containing phosphotransfer protein from rice, Ak104879
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-2q4h:
Ensemble refinement of the crystal structure of GALT-like protein from Arabidopsis thaliana At5g18200
Method: X-RAY DIFFRACTION / Resolution: 1.834 Å

PDB-2q4i:
Ensemble refinement of the protein crystal structure of allene oxide cyclase from Arabidopsis thaliana At3g25770
Method: X-RAY DIFFRACTION / Resolution: 1.71 Å

PDB-2q4j:
Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At3g03250, a putative UDP-glucose pyrophosphorylase
Method: X-RAY DIFFRACTION / Resolution: 1.863 Å

PDB-2q4k:
Ensemble refinement of the protein crystal structure of gene product from Homo sapiens Hs.433573
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-2q4l:
Ensemble refinement of the crystal structure of GALT-like protein from Arabidopsis thaliana At5g18200
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-2q4m:
Ensemble refinement of the crystal structure of protein from Arabidopsis thaliana At5g01750
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-2q4n:
Ensemble refinement of the crystal structure of protein from Arabidopsis thaliana At1g79260
Method: X-RAY DIFFRACTION / Resolution: 1.32 Å

PDB-2q4o:
Ensemble refinement of the crystal structure of a lysine decarboxylase-like protein from Arabidopsis thaliana gene At2g37210
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-2q4p:
Ensemble refinement of the crystal structure of protein from Mus musculus Mm.29898
Method: X-RAY DIFFRACTION / Resolution: 2.32 Å

PDB-2q4q:
Ensemble refinement of the protein crystal structure of gene product from Homo sapiens Hs.95870
Method: X-RAY DIFFRACTION / Resolution: 2.59 Å

PDB-2q4r:
Ensemble refinement of the protein crystal structure of human phosphomannomutase 2 (PMM2)
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

PDB-2q4s:
Ensemble refinement of the protein crystal structure of cysteine dioxygenase type I from Mus musculus Mm.241056
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-2q4t:
Ensemble refinement of the protein crystal structure of a cytosolic 5'-nucleotidase III from Mus musculus Mm.158936
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-2q4u:
Ensemble refinement of the crystal structure of an EF-hand protein from Danio rerio Dr.36843
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-2q4v:
Ensemble refinement of the protein crystal structure of thialysine n-acetyltransferase (SSAT2) from Homo sapiens
Method: X-RAY DIFFRACTION / Resolution: 1.842 Å

PDB-2q4x:
Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At3g16990
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-2q4y:
Ensemble refinement of the protein crystal structure of At1g77540-coenzyme A complex
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

PDB-2q4z:
Ensemble refinement of the protein crystal structure of an aspartoacylase from Rattus norvegicus
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-2q50:
Ensemble refinement of the protein crystal structure of a glyoxylate/hydroxypyruvate reductase from Homo sapiens
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-2q51:
Ensemble refinement of the protein crystal structure of an aspartoacylase from Homo sapiens
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-2q52:
Ensemble refinement of the crystal structure of a glycolipid transfer-like protein from Galdieria sulphuraria
Method: X-RAY DIFFRACTION / Resolution: 1.38 Å

Chemicals

ChemComp-MLA:
MALONIC ACID

ChemComp-HOH:
WATER

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-MG:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-CPS:
3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE / detergent*YM

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-MPO:
3[N-MORPHOLINO]PROPANE SULFONIC ACID / pH buffer*YM

ChemComp-K:
Unknown entry

ChemComp-NO3:
NITRATE ION

ChemComp-FES:
FE2/S2 (INORGANIC) CLUSTER

ChemComp-ZN:
Unknown entry

ChemComp-FE:
Unknown entry

ChemComp-ACY:
ACETIC ACID

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-BR:
BROMIDE ION

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-AMP:
ADENOSINE MONOPHOSPHATE / AMP*YM

ChemComp-GLY:
GLYCINE

ChemComp-NI:
NICKEL (II) ION

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

ChemComp-ACO:
ACETYL COENZYME *A

ChemComp-HMH:
4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE

ChemComp-COA:
COENZYME A

ChemComp-PO4:
PHOSPHATE ION

Source
  • arabidopsis thaliana (thale cress)
  • pseudomonas mendocina (bacteria)
  • oryza sativa (Asian cultivated rice)
  • homo sapiens (human)
  • mus musculus (house mouse)
  • danio rerio (zebrafish)
  • rattus norvegicus (Norway rat)
  • galdieria sulphuraria (eukaryote)
KeywordsTRANSFERASE / Ensemble Refinement / Refinement Methodology Development / Steroid Sulphotransferase / Apo / Structural Genomics / Protein Structure Initiative / PSI / Center for Eukaryotic Structural Genomics / CESG / OXIDOREDUCTASE / Flavoprotein / flavoenzyme / xenobiotic reductase / old yellow enzyme / secondary messenger / UNKNOWN FUNCTION / PLANT PROTEIN / Protein / homohexamer / At5g06450 / HYDROLASE / At5g08170 / POLYAMINE BIOSYNTHESIS / AGMATINE IMINOHYDROLASE / AIH / AGMATINE DEIMINASE / N-CARBAMOYLPUTRESCINE / PUTRESCINE / At2g34160 / Nitrate / ELECTRON TRANSPORT / FERREDOXIN / FES / [2FE-2S] CLUSTER / RIESKE PROTEIN / TOLUENE-4-MONOOXYGENASE SUBUNIT / AT2G17340 / AT1G23820 / PUTRESCINE AMINOPROPYL TRANSFERASE / SPERMIDINE SYNTHASE / SPDS1 / POLYAMINE / AT2G31350 / METALLO-HYDROLASE / ZINC/IRON BINUCLEAR CENTER / B-LACTAMASE FOLD / THIOESTER HYDROLASE / mitochondrial isozyme / AT5G56660 / ILL2 / indole-3-acetic acid / auxin / AT1G77540 / PUTATIVE ACETYLTRANSFERASE / AT1G07440 / REDUCTIVELY METHYLATED PROTEIN / PUTATIVE TROPINONE REDUCTASE / AT5G02240 / NADP / AT1G05000 / phosphoprotein phosphatase / AT5G48480 / CATH 3.10.180 FOLD / DIMER / AT2G19940 / CATH 3.40.50 FOLD / SEMIALDEHYDE DEHYDROGENASE FAMILY / TETRAMER / AT3G21360 / METAL BINDING PROTEIN / AT1G35720 / ANNEXIN / MEMBRANE-BINDING / CALCIUM-BINDING / AT5G11950 / LYSINE DECARBOXYLASE-LIKE PROTEIN / AT4G09670 / SIGNALING PROTEIN / AK104879 / PHOSPHORELAY MEDIATOR / HP1 / GALT / AMP / ISOMERASE / AT3G25770 / jasmonic acid biosynthesis / AT3G03250 / PUTATIVE UDP-GLUCOSE PYROPHOSPHORYLASE / Hs.433573 / P5326 / BLES03 / BC010512 / AT5G18200 / AT5G01750 / PFAM PF01167 / TULP / AT1G79260 / AT2G37210 / MM.29898 / BC004623 / 2410015N17RIK / HS.95870 / DUF498 / HS.459855 / HS.313504 / BC008310 / PHOSPHATASE / PFAM PF03332 / HAD SUPERFAMILY / JAECKEN DISEASE / CARBOHYDRATE-DEFICIENT GLYCOPROTEIN SYNDROME / Mm.241056 / pfam05995.2 CDO_I / BC013638 / CUPIN FAMILY / UMPH-1 / CYTOSOLIC 5'-NUCLEOTIDASE III / NT5C3 PROTEIN / AAH38029 / BC038029 / MM.158936 / Dr.36843 / BC083168 / CALICIUM BINDING / EF-HAND SUPERFAMILY / SSAT2 / BC011751 / AAH11751 / THIALYSINE N-ACETYLTRANSFERASE / TENA_THI-4 DOMAIN / TENA/THI-4/PQQC FAMILY / AT3G16990 / CoA / Coenzyme-A / COG2388 Family / acetyltransferase / Aspartoacylase family / Aminoacylase-2 / ACY-2 / ACY2_RAT / Q9UBQ7 / Glyoxylate reductase / hydroxypyruvate reductase / Canavan disease / N-acetyl-L-aspartate / Zinc-dependent hydrolase / ACY2 / ASPA / GLTP superfamily / GLTP-like

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