d crystal structure of ru l5 2 pf6 2

... data of [Co(L8 )2] [PF6 ]2 1¾CH3CN [Co(L )2] [PF6 ]2 300 and 14 304 Appendix IV: Crystal data of L and 2, 7-di (2- hydroxyethoxy)naphthalene 306 Appendix V: Crystal data of [ {Ru( L11) }2] [PF6 ]2 4⁄5(C2H5)2O·2CH3CN, ... Experimental 28 0 7.8 References 29 3 Appendix I: Appendix II: Appendix III: Crystal data of L2 and [HL9]+Cl-·H2O 29 8 Crystal data of [M(L )] [PF6 ]2 CH3CN and [M(L )2] [PF6 ]2 (where M = Fe and Ru) Crystal data ... constant in Hz s Singlet d Doublet t Triplet dd Doublet of doublets ddd Doublet of doublets of doublets dt Doublet of triplets td Triplet of doublets m Multiplet br Broad Mass Spectrometry (MS)...

Ngày tải lên: 02/07/2014, 13:33

... 6 622 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 a-amino-b-carboxymuconate-e-semialdehyde decarboxylase (ACMSD) J Biol Chem 27 7, 351 62 35167 Tanabe A, Egashira Y, Fukuoka SI, Shibata K & Sanada ... of an ACMSD in a ligand-bound form, and may be used to assist the structure- based rational design of enzyme inhibitors with potential medical interest Crystal structure of human ACMSD C-ter N-ter ... domain (Fig 2) hACMSD and PfACMSD can ˚ indeed be superposed with an rmsd of 1.6 A based on 326 Ca pairs hACMSD folds into 12 a-helices, 11 b-strands and connecting loops Residues 14-48 form the...

Ngày tải lên: 18/02/2014, 06:20

... N (20 00) How a protein generates a catalytic radical from Ó FEBS 20 02 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 Structure of B 12- dependent glycerol dehydratase (Eur J Biochem 26 9) ... Ó FEBS 20 02 Structure of B 12- dependent glycerol dehydratase (Eur J Biochem 26 9) 4485 Fig Conversion of 1 ,2- diols to the corresponding aldehydes by diol dehydratase subunit structures, there ... analysis under denaturing (Fig 2E) and nondenaturing conditions (Fig 2F) indicated that the purified enzyme was contaminated with Ó FEBS 20 02 Structure of B 12- dependent glycerol dehydratase (Eur...

Ngày tải lên: 21/02/2014, 03:20

... Crystallogr 30, 1 022 –1 025 23 Emsley P & Cowtan K (20 04) Coot: model-building tools for molecular graphics Acta Crystallogr D Biol Crystallogr 60, 21 26 21 32 24 Brunger AT, Adams PD, Clore GM, DeLano WL, ... allowed (%) Disallowed (%) ˚ Averaged B-value (A2) PDB code 1.0000 P2 121 2 135 .2 161 .2 84.8 50.0–1.90 720 554 138 568 6.5 (36.5) 95.6 (81.0) 11.3 (1.9) 20 –1.91 130 634 65 32 11 29 7 621 21 .1 25 .9 0.018 ... Institute of Agrobiological Sciences, Japan) ˚ DASA (A2) AB dimer BC dimer CD dimer DA dimer 1948 No of water molecules 14 62 1493 1 727 1511 18 24 25 22 Because structural analysis revealed that...

Ngày tải lên: 14/03/2014, 23:20

... the Key amino acid residue of Geotrichum XEG three-dimensional structures of the active sites In this study, we determined the crystal structure of XEG in order to determine the structural basis ... assessing the accuracy of crystal structures Nature 355, 4 72 475 21 Emsley P & Cowtan K (20 04) Coot: model-building tools for molecular graphics Acta Crystallogr D 60, 21 26 21 32 22 Potterton L, McNicholas ... Brumer H & Davies GJ (20 06) Crystal structures of Clostridium thermocellum xyloglucanase, XGH74A, reveal the structural basis for xyloglucan recognition and degradation J Biol Chem 28 1, 24 922 24 933...

Ngày tải lên: 23/03/2014, 05:22

... have indicated that, in addition to the features already mentioned, some cold-adapted enzymes may be characterized by a decreased number of disulfide bonds, an increased number of glycine residues, ... 7531–7539 22 Georlette D, Damien B, Blaise V, Depiereux E, Uversky VN, Gerday C & Feller G (20 03) Structural and functional adaptations to extreme temperatures in 1696 23 24 25 26 27 28 29 30 31 32 33 ... kinases J Biol Chem 27 9, 28 2 02 28 208 Coquelle N, Fioravanti E, Weik M, Vellieux F & Madern D (20 07) Activity, stability and structural studies of lactate dehydrogenases adapted to extreme thermal...

Ngày tải lên: 23/03/2014, 07:20

... IEDCVFRIVL YDGMEIQRSD TEKTRTVPLE YKAQVVIPFN VFWLLKESEL NEDFLADLKV YKIAG 437 1 12 1 42 1 72 2 02 2 32 2 62 2 92 322 3 52 3 82 4 12 Figure 28 The sequence of AtCyP38 (83-437) The native methionine residues ... TPSNSNILDG GDVIESIQVV VLISGPPIKD KPMEDITDSL TMQQGKSIIV GMQDMLKIVE IEEDMVDGFP MKVKIKDNPN NFVDLVERHF GPAEGFIDPS YGSTLEELGL EFENDSGSSQ RYAVFGYVTD SGLENLANPS PEALMRYAMP KIAGVKAMDS AGFAESKKDH DRKRDAVAPK ... VPEEYRNMPLLKGRASVDMKVKIKDNPNIEDCVFRIVLDGYNAPVTAGN 23 0 25 0 24 0 26 0 27 0 β5 α6 FVDLVERHFYDGMEIQRSDGFVVQTGDPEGPAEGFIDPSTEKTRTVPLE 28 0 300 29 0 310 320 β6 IMVTGEKTPFYGSTLEELGLYKAQVVIPFNAFGTMAMAREEFENDSGSS 340 330...

Ngày tải lên: 14/09/2015, 17:50

... presented are the means of four individual readings, collected from four individual experiments 2. 3 RESULTS 2. 3.1 Overview of AmyA structure AmyA consists of a single polypeptide chain of 488 residues ... 44 OD1 ASP 46 OD1 ASP 48 OD1 ILE 50 O ASP 52 OD2 WAT 27 Distance in Å 2. 47 2. 49 2. 50 2. 45 2. 48 2. 70 Calcium No Interacting Atoms ASP 65 OD1 ASP 67 O THR 70 O THR 70 OG1 ASP 73 OD1 WAT 69 Distance ... repeatedly performed until the structure was refined to an R-factor of 0 .20 1 and an Rfree of 0 .22 1 using reflections with |F| > σ(|F|) The calcium and chloride ions were modeled by the use of both...

Ngày tải lên: 16/09/2015, 08:31

... 1 32 ± 22 12. 1 ± 0.6 ) 0 .21 ND ND ) 0.17 ND ND ) 0. 02 45 ± 99 ± 0.11 5.8 ± 0.6 87 ± ) 0.06 128 ± 3.5 ± 0.1 ) 0.18 ND ND ) 0.14 ND ND 0 .25 18 ± 193 ± 0.38 6.3 ± 1.3 91 ± 0 .21 35 ± 8.3 ± 0.4 0 .27 ... ± 2. 0 ± 0.1 0.09 168 ± 19 21 ± 0.13 50 ± 16 2. 6 ± 0 .2 61 ± 2. 7 ± 0.1 FEBS Journal 27 8 (20 11) 22 83 22 95 ª 20 11 The Authors Journal compilation ª 20 11 FEBS J P Kallio et al Crystal structure of ... structure and function of asco-laccases Results and Discussion Overall structure ˚ The crystal structure of TaLcc1 was solved to 2. 5-A resolution from pseudomerohedrally twinned crystals by molecular...

Ngày tải lên: 14/02/2014, 18:20

... 21 26 21 32 41 Murshudov GN, Vagin AA & Dodson EJ (1997) Refinement of macromolecular structures by the maximum-likelihood method Acta Crystallogr D: Biol Crystallogr 53, 24 0 25 5 42 Mynott AV (20 09) ... NLS peptide complex (observed structure factors F pep ) with an apo structure of importin-a (70– 529 ) o (observed structure factors F apo ) This structure is described o in ref [ 42] The structure ... peptide, this corresponds to hydrogen-bonded carbonyl and amide groups from every second residue in the major binding site: P1 (Ala2 02) , P3 (Lys204) and P5 (Arg206) The peptide side chains in binding...

Ngày tải lên: 14/02/2014, 19:20

... Crystal structure of SOD from A pernix K1 A WAT D1 65 (OD2) H169 (NE2) H79 (NE2) H31 (NE2) B WAT H169 (NE2) D1 65 (OD2) H79 (NE2) WAT H31 (NE2) C WAT D1 65 (OD2) H169 (NE2) H79 (NE2) H31 (NE2) D ... for accurately determining the oligomeric structure of SOD enzymes We observed five-coordinate and six-coordinate structures of metal ions in Mn-bound and Fe-bound ApeSOD crystal structures, respectively ... [3], in peroxide-soaked MnSOD of E coli [26 ] and in TthSOD complexed with azide, a SOD inhibitor [27 ] It remains unclear why the six-coordinated structure was observed in Fe-bound ApeSOD, but not...

Ngày tải lên: 14/02/2014, 22:20

... structure of Klebsiella phytase PhyK A Tyr249 Thr2 92 K Bohm et al ¨ Tyr249 Thr2 92 Asp291 Asp291 Arg24 Arg24 Asn209 His290 Arg100 Asn209 Arg100 Arg28 Arg28 Thr31 B Thr31 C Fig Schematic overview of the ... 29 0-HD -29 1, together with the adjacent Thr2 92, is also directly involved in substrate recognition (Fig 3) In the modeled structure of phytate-bound PhyK, the side chain of His290 is locked by ... ligand-free structure Whereas His290 and Asp291 form hydrogen bonds with the 3-phosphate, Thr2 92 fixes the 2- phosphate The conserved HD dipeptide forms the N-terminus of a helix L The orientation of...

Ngày tải lên: 16/02/2014, 09:20

... expressed and purified the serine proteinase domain of DESC1 and solved the crystal structure of the complex of this protease with benzamidine Results and Discussion Overall structure The catalytic domain ... guanidyl group of Arg235 In hepsin the less hydrophobic Thr244 replaces the Ile244 side chain of DESC1 As part of the additional loop structure in hepsin, Thr244 is shifted to the north of the hydrophobic ... macromolecular structure determination J Appl Crystallogr 11, 26 8 27 2 Jones TA & Thirup S (1986) Using known substructures in protein model-building and crystallography EMBO J 5, 819– 822 Brunger AT, Adams...

Ngày tải lên: 19/02/2014, 00:20

... atoms and 471 water molecules, converged to an R ⁄ Rfree of 17.7 ⁄ 20 .7% Residues 2 23 3 of chain A and 2 23 1 of chain B had interpretable electron density and were included in the final model The ... are almost identical and superimpose [25 , 32] with an ˚ rmsd of 0 .24 2 A for the Ca atoms of 23 0 residues The atomic coordinates and structure factors have been deposited in the Protein Data Bank ... MNG (20 03) The crystal structure of 1 -D- myo-inosityl 2- acetamido-2deoxy-a -D- glucopyranoside deacetylase (MshB) from Mycobacterium tuberculosis reveals a zinc hydrolase with a lactate dehydrogenase...

Ngày tải lên: 19/02/2014, 00:20

... structure of SPRK is described and compared to the structures of PRK (PDB 1ic6 [20 ]), and Vibrio sp PA44 (VPRK; PDB 1sh7 [21 ]), and an attempt is made to give structural explanations for some of the differences ... and substrate analogues are observed in the structures of serine peptidase complexes Instead it is located in the S1¢ and S2¢ sites, and Thr3 and Pro2 occupy the same space as P1¢ and P2¢ residues ... found in PRK One of the disulfide bridges (including Cys98) in SPRK and VPRK is located next to a residue forming a part of the S2 site of the enzyme The disulfide bridge restricts the flexibility of...

Ngày tải lên: 19/02/2014, 07:20

... D1 17–R 121 D1 84–R188 D2 60–R 12 1THM 2. 77 4.65 3.93 2. 95 2. 75 2. 76 2. 94 3. 02 3. 02 ˚ A ˚ A)a ˚ A ˚ A ˚ A ˚ A ˚ A ˚ A ˚ A D5 7–R1 02 D6 0–R1 02 D1 88–K17 E28–K95 D1 24 –K153 D1 88–R270 D2 01–R249 E253–R249 D2 57–R270 ... D5 9–R95 D1 83–R10 ˚ 2. 99 A ˚ 3.03 A ˚ 2. 74 A D1 38–R169 E236–R2 52 E255–K267 D2 60–R185 D2 74–R14 3. 02 2.83 2. 81 2. 92 3 .28 ˚ A ˚ A ˚ A ˚ A ˚ A D1 87–R 12 (E27–87 E48–R80 E50–R 52 D9 8–K94 D1 12 R147 D1 17–R 121 ... The structure of a ˚ cold-adapted family xylanase at 1.3 A resolution FEBS Journal 27 2 (20 05) 8 32 845 ª 20 05 FEBS ´ ´ J Arnorsdottir et al 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 Structural...

Ngày tải lên: 19/02/2014, 16:20

... (20 01) Adenosine analogues as selective inhibitors of glyceraldehyde-3-phosphate dehydrogenase of Trypanosomatidae via structure- based drug design J Med Chem 44, 20 80 20 93 12 Duggleby, R.G & Dennis, ... cruzi gGAPDH by Ala246 in T brucei gGAPDH; (b) different conformations adopted by Thr 226 /Thr 225 in the two gGAPDHs In T cruzi gGAPDH, Ser247 and Thr 226 compete with Arg249 for the phosphate groups ... Reaction of glyceraldehyde-3-phosphate dehydrogenase facilitated by oxidized nicotinamide-adenine dinucleotide Biochem J 122 , 59–69 14 Segal, H.L & Boyer, P .D (1953) The role of sulfhydryl groups...

Ngày tải lên: 20/02/2014, 02:21

... Cloning and characterization of a locus encoding anindolepyruvate decarboxylase involved in 23 20 A Schutz et al (Eur J Biochem 27 0) ¨ 10 11 12 13 13a 14 15 16 17 18 19 20 21 22 23 24 25 26 indole-3-acetic ... of pyruvate decarboxylase from Zymomonas mobilis—a site-directed mutagenesis study of L1 12, I4 72, I476, E473, and N4 82 Eur J Biochem 25 7, 538–546 Ó FEBS 20 03 3D structure of indolepyruvate decarboxylase ... labelled as defined in Fig The cofactor ThDP and the magnesium ion are included as ball-and-stick models The broken line indicates the disordered loop comprising residues 3 42 355 IPDC and ZmPDC The...

Ngày tải lên: 20/02/2014, 11:20

... the liganded enzyme c The value of Tyr27 is excluded from the calculation of the average and SD d Tyr37 is disordered in the nonliganded structure of Bacillus glutaminase the displacement of all ... TG structure Residues Arg 223 and Ser 227 interact with Tris Tris binding in the TG structure seems to be coupled to the protein local structure in the region encompassing aa 22 2 -22 8, which is distinct ... are labeled Residues 36-39 in the B structure (homologous residue of 26 -29 in Mglu) are disordered of the more extensive disordered regions in the C-terminal domain of the N structure Salt-tolerant...

Ngày tải lên: 06/03/2014, 09:22

... 78, 79, 80, 83 2. 5 Helix 11 21 2, 21 6 16 Helix 12 237, 24 0, 24 4 Helix 13 25 5, 25 8, 25 9 ,26 1, 26 2, 26 4, 26 6 16 Helix 14 27 1, 27 5, 27 8 2. 45 Total 38 FEBS Journal 27 2 (20 05) 166–179 ª 20 04 FEBS C G ... D (20 03) Structure and stability of the ankyrin domain of the Drosophila Notch receptor Protein Sci 12, 26 22 22 32 Bradley CM & Barrick DM (20 02) Limits of cooperativity in a structurally modular ... )153.0 +26 .5 16 .2 (pair 3–4) YAHLNRGIALYYGGRDKLAQDDLLAFYQDDPND 164–177 179–1 92 14.6 3.9 +163.3 +26 .9 96 .2 (pair 4–5) PFRSLWLYLAEQKLDEKQAKEVLKQHFEKSDKEQW 10 11 199 20 6 21 2 22 2 12. 9 7.4 +1 72. 6 )26 .0...

Ngày tải lên: 07/03/2014, 16:20