STRUCTURE DEPENDENT PKA SHIFTS
STRUCTURE DEPENDENT PKA SHIFTS
批准号:
6411714
负责人:
Daniel Roberto Ripoll
金额:
$1.29万
依托单位:
依托单位国家:
美国
项目类别:
财政年份:
2000
资助国家:
美国
项目状态:
已结题
起止时间:
2000-12-01 至 2001-11-30
中文摘要
最近,Urry等人,报道了大的pKa位移的电荷
谷氨酸组与组成的变化,
聚[Fv(IPGVG),Fe(IPGEG)]家族的聚五肽(PPP)
(其中摩尔分数fv和fe满足关系fv + fe =
1)。 实验确定的滴定曲线清楚地表明两个
关于Fe的制度:Fe > 0.65和fE< 0.65。 第一规程
被作者称为静电制度和
第二个是疏水区。 他们特别发现,
静电诱导的pKa位移不如
在纯水和0.15N NaCl水溶液中疏水诱导的pKa。
这一系列公私伙伴关系被提议采用折叠β螺旋
每圈大约有三个五聚体,
β-匝用作螺旋匝之间的间隔物。 根据
对作者来说,这种折叠结构导致了
与Glu侧链非常接近的疏水残基
五肽中第4位的残基。 这些
Urry假设分子内相互作用依赖于结构,
et.例如,主要负责实验观察到的pKa
PPP和相关肽中Glu移位。 为了测试他们的
假设,我们进行了一系列计算,其中PPP
被建模为Fe = 0.11的9个五聚体的集合;即,与
序列(IPGVG)4(IPGEG)(IPGVG)4。 我们的理论结果为
pKa位移与实验值符合得很好,
为所观察到的pKa的拟定分子基础提供了支持
这种类型多肽中的移位。
英文摘要
Recently Urry, et.al., reported large pKa shifts of charged
glutamic acid groups associated with changes of composition in
polypentapeptides (PPP) of the family poly[fv(IPGVG), fe(IPGEG)]
(where the mole fractions fv and fe satisfied the relation fv + fe =
1). The experimentally determined titration curve clearly shows two
regimes with respect to fe : fe > 0.65 and fE< 0.65. The first regime
is referred to by the authors as the electrostatic regime and the
second one as the hydrophobic regime. In particular, they found that
the electrostatic-induced pKa shift is not as large as the
hydrophobic-induced pKa in both pure water and aqueous 0.15N NaCl.
This familyof PPPs has been proposed to adopt a folded beta-spiral
conformation with approximately three pentamers per turn, wi th
beta-turns acting as spacers between turns of the spiral. According
to the authors, this folded structure leads to an arrangement of
hydrophobic residues in close proximity to the side chains of Glu
residues at position 4th in the pentapeptides. These
structure-dependent intramolecular interactions were assumed by Urry,
et. al., to be mainly responsible for the experimentally observed pKa
shift of Glu in PPP and related peptides. In order to test their
assumption, we carried out a series of calculations in which the PPP
was modeled as a collection of 9 pentamers with fe = 0.11; i.e., with
the sequence (IPGVG)4 (IPGEG) (IPGVG)4. Our theoretical result for
the pKa shift is in good agreement with the experimental value and
provides support for the proposed molecular basis for the observed pKa
shift in this type of polypeptide.
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会议论文
ELECTRO STATIC OF ALPHA & BETA BARREL PROTEINS
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批准号:6411713
-
项目类别:
-
资助金额:$1.29万
-
财政年份:2000
-
负责人:Daniel Roberto Ripoll
-
依托单位:
NEW DEVELOPMENTS OF EDMC
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批准号:6411731
-
项目类别:
-
资助金额:$1.29万
-
财政年份:2000
-
负责人:Daniel Roberto Ripoll
-
依托单位:
IMPLEMENTATION OF A VISUAL INTERFACE FOR ECEPPAK
-
批准号:6411719
-
项目类别:
-
资助金额:$1.29万
-
财政年份:2000
-
负责人:Daniel Roberto Ripoll
-
依托单位:
IMPLEMENTATION OF ECEPPAK USING FORTRAN90
-
批准号:6411703
-
项目类别:
-
资助金额:$1.29万
-
财政年份:2000
-
负责人:Daniel Roberto Ripoll
-
依托单位:
IMPLEMENTATION OF A VISUAL INTERFACE FOR ECEPPAK
-
批准号:6309540
-
项目类别:
-
资助金额:$2.43万
-
财政年份:1999
-
负责人:Daniel Roberto Ripoll
-
依托单位:
ELECTRO STATIC OF ALPHA & BETA BARREL PROTEINS
-
批准号:6309534
-
项目类别:
-
资助金额:$2.43万
-
财政年份:1999
-
负责人:Daniel Roberto Ripoll
-
依托单位:
STRUCTURE DEPENDENT PKA SHIFTS
-
批准号:6309535
-
项目类别:
-
资助金额:$2.43万
-
财政年份:1999
-
负责人:Daniel Roberto Ripoll
-
依托单位:
IMPLEMENTATION OF ECEPPAK USING FORTRAN90
-
批准号:6309524
-
项目类别:
-
资助金额:$2.43万
-
财政年份:1999
-
负责人:Daniel Roberto Ripoll
-
依托单位:
NEW DEVELOPMENTS OF EDMC
-
批准号:6309552
-
项目类别:
-
资助金额:$2.43万
-
财政年份:1999
-
负责人:Daniel Roberto Ripoll
-
依托单位:
STRUCT DEPENDENT PKA SHIFTS IN POLYPENTAPEPTIDE OF POLY[FV(IPGVG), FE(IPGEG)]
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批准号:6121977
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项目类别:
-
资助金额:$6.3万
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财政年份:1998
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负责人:Daniel Roberto Ripoll
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依托单位:
ELECTROSTATIC GRADIENTS IN IRON STORAGE PROTEIN FERRITIN
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批准号:6121980
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项目类别:
-
资助金额:$2.7万
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财政年份:1998
-
负责人:Daniel Roberto Ripoll
-
依托单位:
ALPHA HELICAL CONFORMATION OF HYDROPHOBICITY & SOLVENT MEDIATED CHARGE INTERACT
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批准号:6121975
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项目类别:
-
资助金额:$6.3万
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财政年份:1998
-
负责人:Daniel Roberto Ripoll
-
依托单位:
ELECTROSTATICALLY DRIVEN MONTE CARLO METHOD TEST ON MEMBRANE PORTION OF MELITTIN
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批准号:6121978
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项目类别:
-
资助金额:$5.4万
-
财政年份:1998
-
负责人:Daniel Roberto Ripoll
-
依托单位:
NEW DEVELOPMENTS OF EDMC
-
批准号:6282174
-
项目类别:
-
资助金额:$4.25万
-
财政年份:1997
-
负责人:Daniel Roberto Ripoll
-
依托单位:
IMPLEMENTATION OF ECEPPAK USING FORTRAN90
-
批准号:6282176
-
项目类别:
-
资助金额:$4.25万
-
财政年份:1997
-
负责人:Daniel Roberto Ripoll
-
依托单位:
IMPLEMENTATION OF A VISUAL INTERFACE FOR ECEPPAK
-
批准号:6282175
-
项目类别:
-
资助金额:$5.95万
-
财政年份:1997
-
负责人:Daniel Roberto Ripoll
-
依托单位:
ELECTRO STATIC OF ALPHA & BETA BARREL PROTEINS
-
批准号:6282186
-
项目类别:
-
资助金额:$1.04万
-
财政年份:1997
-
负责人:Daniel Roberto Ripoll
-
依托单位:
STRUCTURE DEPENDENT PKA SHIFTS
-
批准号:6282187
-
项目类别:
-
资助金额:$1.04万
-
财政年份:1997
-
负责人:Daniel Roberto Ripoll
-
依托单位:
ELECTRO STATIC OF ALPHA & BETA BARREL PROTEINS
-
批准号:6121992
-
项目类别:
-
资助金额:$2.43万
-
财政年份:--
-
负责人:Daniel Roberto Ripoll
-
依托单位:
STRUCTURE DEPENDENT PKA SHIFTS
-
批准号:6121993
-
项目类别:
-
资助金额:$2.43万
-
财政年份:--
-
负责人:Daniel Roberto Ripoll
-
依托单位:
海外基金