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* Residue conservation analysis
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Proteins
5:271-280
(1989)
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PubMed id:
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Three-dimensional structure of a fluorescein-Fab complex crystallized in 2-methyl-2,4-pentanediol.
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J.N.Herron,
X.M.He,
M.L.Mason,
E.W.Voss,
A.B.Edmundson.
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ABSTRACT
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The crystal structure of a fluorescein-Fab (4-4-20) complex was determined at
2.7 A resolution by molecular replacement methods. The starting model was the
refined 2.7 A structure of unliganded Fab from an autoantibody (BV04-01) with
specificity for single-stranded DNA. In the 4-4-20 complex fluorescein fits
tightly into a relatively deep slot formed by a network of tryptophan and
tyrosine side chains. The planar xanthonyl ring of the hapten is accommodated at
the bottom of the slot while the phenylcarboxyl group interfaces with solvent.
Tyrosine 37 (light chain) and tryptophan 33 (heavy chain) flank the xanthonyl
group and tryptophan 101 (light chain) provides the floor of the combining site.
Tyrosine 103 (heavy chain) is situated near the phenyl ring of the hapten and
tyrosine 102 (heavy chain) forms part of the boundary of the slot. Histidine 31
and arginine 39 of the light chain are located in positions adjacent to the two
enolic groups at opposite ends of the xanthonyl ring, and thus account for
neutralization of one of two negative charges in the haptenic dianion. Formation
of an enol-arginine ion pair in a region of low dielectric constant may account
for an incremental increase in affinity of 2-3 orders of magnitude in the 4-4-20
molecule relative to other members of an idiotypic family of monoclonal
antifluorescyl antibodies. The phenyl carboxyl group of fluorescein appears to
be hydrogen bonded to the phenolic hydroxyl group of tyrosine 37 of the light
chain. A molecule of 2-methyl-2,4-pentanediol (MPD), trapped in the interface of
the variable domains just below the fluorescein binding site, may be partly
responsible for the decrease in affinity for the hapten in MPD.
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Literature references that cite this PDB file's key reference
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PubMed id
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Reference
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Structure,
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PDB codes:
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Structure,
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PDB code:
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The most recent references are shown first.
Citation data come partly from CiteXplore and partly
from an automated harvesting procedure. Note that this is likely to be
only a partial list as not all journals are covered by
either method. However, we are continually building up the citation data
so more and more references will be included with time.
Where a reference describes a PDB structure, the PDB
codes are
shown on the right.
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