... 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 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, [{Fe(L14)}] [PF6 ]2 (C2H5)2O·½CH3CN ... Synthesis 126 4 .2 127 4.3 13 H NMR spectroscopic characterisation C NMR spectroscopic characterisation of [Co( L7 )2] [PF6 ]2 and [Co( L9 )2] [PF6 ]2 143 4.4 Mass spectrometric characterisation 150 4.5 Absorption...
... dehydratase a subunit was amplified by PCR using pUSI2E(GD) [28 ], pfu DNA polymerase (Stratagene) and pairs of primers 5¢-TCTGAGTGCGGTGGAAGAGATG ATGAAGCG-3¢ and 5¢-AGATCTTATTCAATGGTGT CGGGCTGAACC-3¢ ... pUSI2E(aG) DNA segments encoding the b and c subunits of glycerol dehydratase were amplified by PCR using pairs of primers 5¢-CATATGCAACAGACAACCCAAATTCAGCCC-3¢ and 5¢-AGATCTTATCACTCCCTTACTAAGTCGATG-3¢ ... Shibata, N., Morimoto, Y., Toraya, T & Yasuoka, 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 Structureof B 12- dependent...
... Okada H, Hara S, Ikenaka T, Murao S & Arai M (1990) Cloning and sequence analysis ofa cDNA for cellulase (FI-CMCase) from Aspergillus aculeatus Curr Genet 18, 21 7 22 2 Scarafoni A, Ronchi A & ... surface area (DASA) in each dimer was calculated (Table 1) It is conceivable that a dimer with larger DASA is more plausible We found that the DASAs of the AB and DA dimers were comparable Although ... formation The DASA of the AB dimer is defined as [(ASA of A) + (ASA of B) ) (ASA of AB dimer)] ⁄ The number of water molecules in the dimer interface was detected with ASV CALCULATOR [34] ASA was...
... programs for protein crystallography Acta Crystallogr D 50, 760–763 18 Navaza J (1994) AMoRe: an automated package for molecular replacement Acta Crystallogr A 50, 157–163 19 Brunger AT, Adams ... refinement against the 20 2. 5 A intensity data A randomly selected portion of the diffraction data (5.0%) was used to calculate the free R factor [20 ] The program coot [21 ] was used to display and correct ... Acta Crystallogr D 54, 905– 921 20 Brunger AT (19 92) Free R-value – a novel statistical ¨ quantity for assessing the accuracy ofcrystal structures Nature 355, 4 72 475 21 Emsley P & Cowtan K (20 04)...
... 19 14 0 92 824 8 5844 –1 6.5 No of hydrogen bonds (side chain–side chain) Aromatic stacking ˚ ASA total (A2 ) ˚ ASA apolar (A2 ) ˚ ASA polar (A2 ) Formal global charge Theoretical pIb E cloacae 19 ˚ ... Evolution of an enzyme activity: crystallographic structure at 2 -A resolution of cephalosporinase from the ampC gene of Enterobacter cloacae P99 and comparison with a class A penicillinase Proc Natl Acad ... J (20 03) The structureofa cold-adapted family xylanase at 1.3 A resolution Structural adaptations to cold and investgation of the active site J Biol Chem 27 8, 7531–7539 22 Georlette D, Damien...
... But a few of these crystals from the condition containing PEG 6000 and t-butanol diffracted up to about Å 4.3 .2 Data collection and analysis Data collection was done at the X25 beamline, National ... present in the crystal and no part of it has got cleaved off during the crystallization process 4.5 .2 Data collection and analysis The native and selenomethionylated crystal data sets for all the five ... DRKRDAVAPK YEVPEEYRNM IEDCVFRIVL YDGMEIQRSD TEKTRTVPLE YKAQVVIPFN VFWLLKESEL NEDFLADLKV YKIAG 437 1 12 1 42 1 72 2022 32 2 62 2 92 322 3 52 3 82 4 12 Figure 28 The sequence of AtCyP38 (83-437) The native...
... entire salinity range (Fig 2. 10) The activity profiles of AmyA at different temperatures and pH are shown in Figs 2. 11 and 2. 12 Figure 2. 13 AmyA activity profile Activity assay of AmyA using 20 mM ... report, partially purified AmyA that contained the signal peptide with a His-tag was used for the activity assay From the crystalstructureof AmyA it appears that the His-tag and Nterminal signal ... DENZO and SCALEPACK (Otwinowski and Minor, 1997) The data collection and crystallographic statistics are summarized in Table 2. 1 40 Figure 2. 5 lAmyA crystal picture Crystals of AmyA, with maximum...
... Journal 27 8 (20 11) 22 83 22 95 ª 20 11 The Authors Journal compilation ª 20 11 FEBS 22 85 Crystalstructureofa Thielavia arenaria laccase J P Kallio et al thermostability of the enzyme [34] On the basis ... effect of hydroxide also increases A typical feature of basidiomycete laccases is FEBS Journal 27 8 (20 11) 22 83 22 95 ª 20 11 The Authors Journal compilation ª 20 11 FEBS 22 89 Crystalstructureofa Thielavia ... direction In addition, the loop with Val 428 has an additional Ile 427 in TaLcc1 This 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...
... assessment of data quality Acta Crystallogr D: Biol Crystallogr 62, 72 82 38 McCoy AJ, Grosse-Kunstleve RW, Adams PD, Winn MD, Storoni LC & Read RJ (20 07) Phaser crystallographic software J Appl Crystallogr ... comparable with those of the basic residues at P2 (Lys203: 31 contacts), P3 (Lys204: 20 contacts) and P5 (Arg206: 45 contacts) Normalized B factor analysis In order to analyse changes in the conformational ... van der Waals’ contact ˚ areas, both corresponding to 15.9 A2 This is closely followed by the Tyr residue at P4, with a contact area ˚ of 13.5 A2 and the Lys residue at P3 with a contact ˚ area...
... The Authors Journal compilation ª 20 10 FEBS 607 Crystalstructureof SOD from A pernix K1 17 18 19 20 21 22 23 24 25 26 27 608 T Nakamura et al philic archaeon, Aeropyrum pernix J Biochem 126 , 21 8 22 5 ... Proteins 62, 822 – 826 12 Nakamura T, Yamamoto T, Abe M, Matsumura H, Hagihara Y, Goto T, Yamaguchi T & Inoue T (20 08) Oxidation of archaeal peroxiredoxin involves a hypervalent sulfur intermediate Proc ... The absence of an anomalous Fourier map demonstrated that the active site in apo-ApeSOD did not contain a metal cofactor (Fig 3C) However, the side chains and apical water coordinating the metal...
... Crystalstructureof 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 ... this domain FEBS Journal 27 7 (20 10) 128 4– 129 6 ª 20 10 The Authors Journal compilation ª 20 10 FEBS 128 5 Crystalstructureof Klebsiella phytase PhyK A K Bohm et al ¨ B Fig Crystalstructureof Klebsiella ... pairs of Ca atoms < 2. 5 A apart Because of the different length ofa helix A, the Ca atoms N-terminal to or inside helix A are separated by large distances The corresponding region in AppA shows...
... Asada Y, Hatakeyama K, Nabeshima K, Sumiyoshi A & Koono M (1997) Analy- Crystalstructureof the catalytic domain of DESC1 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 sis of tissue factor and tissue ... from human milk J Biol Chem 27 4, 1 823 7–1 824 2 Shimomura T, Denda K, Kitamura A, Kawaguchi T, Kito M, Kondo J, Kagaya S, Qin L, Takata H, Miyazawa K et al (1997) Hepatocyte growth factor activator ... al Crystalstructureof the catalytic domain of DESC1 Fig Structure- based sequence alignment of the human DESC1 catalytic domain with human DESC2 [2] , human DESC3 [2] , HAT, HAT-like [6], human...
... Journal compilation ª 20 07 FEBS V E Fadouloglou et al References Ivanova N, Sorokin A, Anderson I, Galleron N, Candelon B, Kapatral V, Bhattacharyya A, Reznik G, Mikhailova N, Lapidus A et al (20 03) ... 12, 1 621 –16 32 Maynes JT, Garen C, Cherney MM, Newton G, Arad D, Av-Gay Y, Fahey RC & James MNG (20 03) The crystalstructureof 1-D-myo-inosityl 2- acetamido-2deoxy -a- D-glucopyranoside deacetylase ... Tanaka T, Fukui T, Atomi H & Imanaka T (20 03) Characterization of an exo-b-D-glucosaminidase involved in a novel chitinolytic pathway from the hyperthermophilic archaeon Thermococcus kodakaraensis...
... atoms of Asp11 and Asn23 (Fig 3) in an arrangement similar to what is observed in VPRK Both PRK and VPRK have calcium bound at Ca3 SPRK also has an aspartic acid residue at position at 20 0, and ... initial comparative studies showed that the catalytic turnover was at least twice that of PRK, but substrate affinity was reduced SPRK was compared with PRK and was found to be remarkable stable against ... reveals structural aspects of cold adaptation FEBS J 27 2, 8 32 845 22 Teplyakov AV, Kuranova IP, Harutyunyan EH, Vainshtein BK, Frommel C, Hohne WE & Wilson KS ˚ (1990) Crystalstructureof thermitase...
... E28–K95 D 124 –K153 D188–R270 D201–R249 E253–R249 D257–R270 D257–K275 2. 97 3.00 3.91 2. 79 3 .20 2. 81 3.41 2. 98 2. 80 2. 78 ˚ A ˚ A ˚ A ˚ A ˚ A ˚ A ˚ A ˚ A ˚ A ˚ Aa The criterion of conserved ion pairs ... 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 adaptations to cold and investgation ... Number of ion pairsa Number of hydrogen bonds Main chain–main chain Main chain–side chain Side chain–side chain Total ˚ Exposed surface areab (A2 ) ˚ Apolarc (A2 ) ˚ Buried surface areab (A2 ) ˚ Apolarc...
... oligonucleotides: a sense primer 5¢-CAACAAATTTGCATATGACTATT AAAG-3¢ containing an NdeI site (underlined) next to the start codon of the T brucei gGAPDH gene; an antisense primer 5¢-CAGCCAAGCGCCTAGGGAGCGAGA AC-3¢, ... structures available [16,18,19 ,22 ,24 29 ] and seems important to maintain the correct positioning of the active residue Cys166 and the nicotinamide ring of the NAD+ cofactor during catalysis The average ... the Vent DNA polymerase The T brucei gGAPDH Thr196 ACA codon was changed into the Ala codon GCA, and the Thr 225 codon ACT was changed into the Ala codon GCT The mutagenized GAPDH gene fragments...
... PATTERN: a precession simulation programme for displaying reciprocal-space diffraction data J Appl Crystallogr 32, 375–376 Navaza, J (1994) AMoRe: an automated package for molecular replacement Acta Crystallogr ... Schneider, G (20 02) Snapshot ofa key intermediate in enzymatic thiamin catalysis: Crystalstructureof the a- carbanion of (a, b-dihydroxyethyl) -thiamin diphosphate in the active site of transketolase ... S., Marion-Poll, A. , Caboche, M., Kamiya, Y & Koshiba, T (1998) Molecular cloning and characterization of aldehyde oxidases in Arabidopsis thaliana Plant Cell Physiol 39, 433–4 42 Koga, J., Adachi,...
... l-glutamate in an extended form ˚ (Fig 7A) with a contact area of 28 8 A2 Asparaginase binds l-glutamate in a folded form (Fig 7B) in an apparently much smaller pocket with a contact area of ˚ 23 3 A2 ... glutaminase A B Fig L-Glutamate in complex with Mglu and asparaginase of Erwinia carotovora LGlutamate (cylinder) on the surfaces of the structures of TG (A) and asparaginase of E carotovora (B) ... T, Gokhman I, Sussman JL & Zamir A (20 05) Three-dimensional structureofa halotolerant algal carbonic anhydrase predicts halotolerance ofa mammalian homolog Proc Natl Acad Sci U S A 1 02, 7493–7498...