Molecular dynamics simulations of CD59 and CD59-inhibited Membrane Attack Complex
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Coarse-grain (CG) trajectories of CD59-C5b8 (last 1,500 ns): cd59-c5b8_1500ns_rep1.xtc cd59-c5b8_1500ns_rep2.xtc cd59-c5b8_1500ns_rep3.xtc PyLipID analysis results from CG CD59-C5b8 simulations: Interactions_CHOL.csv Interactions_DOPC.csv Atomistic CD59 simulations in DOPC membrane: cd59_at_rep1_light.trr cd59_at_rep2_light.trr cd59_at_rep3_light.trr CD59 Euler angles relative to the membrane: rep1.csv rep2.csv rep3.csv All xtc and trr files were down-sampled (frames removed) to decrease file size.Keywords:
CD59
Dynamics
CD59 is a widely distributed membrane-bound glycoprotein that inhibits the formation of the cytolytic membrane attack complex (MAC) of complement on host cells. CD59 from different species varies in its capacity to inhibit heterologous complement, and this species selective function of CD59 contributes to the phenomenon of homologous restriction. Here, we demonstrate that human CD59 is not an effective inhibitor of rat complement, although rat CD59 inhibits rat and human complement equally well. By constructing human−rat CD59 chimeric proteins, we have mapped the residues important in conferring human CD59 species selectivity to two regions; 40−47 and 47−66 in the primary structure. Analysis of a model of the molecular surface of human CD59 revealed that residues 40−66 mapped to a region in the three-dimensional structure that surrounds residues previously identified as important for CD59 function.
CD59
Heterologous
Complement
Membrane glycoproteins
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CD59
Complement
Complement-dependent cytotoxicity
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Objective:To study the significance of Decay Accelerating Factor(DAF=CD55)?Membrane Inhibitor of reactive Lysis (MIRL=CD59) in the diagnostic of paroxysmal nocturnal hemoglobinuria (PNH). Methods: Flow cytometric analysis of CD55?CD59 was carried to detect the deficiency of membrane protein to the cell surface. Results: The level of CD55(45.94±6.06)%,CD59(46.40±12.36)% of PNH group was significantly lower than that of in AA-PNH CD55(71.00±0.43)%,CD59(84.62±2.08)%,in AA CD55(99.19±0.86)%,CD59(94.42±2.92)% and control group CD55(99.23±0.95)%,CD59(98.56±1.25)%.Conclusion: CD55 and CD59 is a useful target to diagnose and characterize PNH.
Paroxysmal nocturnal hemoglobinuria
CD59
Decay-accelerating factor
Hemoglobinuria
Eculizumab
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We describe a 28‐year‐old man with paroxysmal nocturnal haemoglobinuria (PNH) and a high transfusion requirement. Prior to and during therapy with recombinant human erythropoietin (rHuEpo), we evaluated the levels of ‘decay‐accelerating‐factor’, CD55, and ‘membrane‐inhibitor‐of‐reactive‐lysis’, CD59, as markers of the disease, whilst CD58, a marker present on leucocytes, was utilized to monitor normal haemopoietic activity. The patient became transfusion independent 1 month after beginning rHuEpo and remains well. The analysis of CD55, CD59 and CD58 suggests that the efficacy of rHuEpo was due to a selective rHuEpo action on normal erythroid clones.
CD59
Eculizumab
Paroxysmal nocturnal hemoglobinuria
Decay-accelerating factor
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Paroxysmal nocturnal hemoglobinuria
CD59
Decay-accelerating factor
Hemoglobinuria
Complement component 5
Eculizumab
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Objective To identify the expression of complement regulatory protein CD46, CD55, and CD59 on primary murine pallium astrocytes and the effect of inflammatory factors on it in order to lay the foundation for studying the complement system in AD. Methods The primary murine astrocytes were cultured and purified. The expression of CD46, CD55, and CD59 on the levels of mRNA and protein was assayed by immunofluorescence before and after the stimulation of LPS and IFN-γ. Results The expression of CD59 mRNA was confirmed, but the expression of CD46 and CD55 was indefinite. There was no significant difference between stimulation and non-stimulation groups. Immunofluorescence results indicated that CD59 was positive, while CD46 and CD55 were weakly positive. Conclusion Protectin CD59 expresses copiously on primary murine astrocytes, which presumably protects astrocytes from the lysis of complement.
CD59
Immunofluorescence
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Abstract Constant pressure constant temperature molecular dynamics method is employed to investigate the atomistic scale dynamics of a model Bisphenol A polycarbonate in the vicinity of its glass transition temperature. First, the glass transition temperature and the thermal expansion coefficients of the polymer are predicted by performing simulations at different temperatures. To explore the significance of different modes of motion, various types of time correlation functions are utilized in analyzing the trajectories. In these nanosecond scale simulations, the motion of the chain segments is found to be highly localized with little reorientation of the vectors representing these segments. Detailed analysis of trajectories and the correlation functions of the backbone dihedrals and side methyl groups indicates that they exhibit numerous conformational transitions. The activation energies of the conformational transitions obtained from the simulation are generally larger than the potential barriers for the rotations of these dihedrals, however, both show the same trend. We also have estimated the phenylene ring flip activation energy as 12.6 kcal/mol and the flip frequency as 0.77 MHz at 300 K. These values fall either fall within the range determined by various NMR spectroscopy experiments or slightly out of the range. The study shows that the conformational transitions between the adjacent dihedrals are strongly correlated. Three basic cooperative modes are identified from the simulation. They are: a positive synchronous rotation of two phenylene rings, a negative synchronous rotation of two phenylene rings, and a carbonate group rotation. Above the glass transition temperature, the large scale cooperative motions become much more significant.
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Polycarbonate
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Orientational distribution and dynamics of aqueous solutions of uranyl ions are studied at different concentrations and temperatures using molecular dynamics simulations.
Uranyl
Dynamics
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Paroxysmal nocturnal hemoglobinuria
CD59
Complement
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