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* Residue conservation analysis
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Enzyme class:
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Chain E:
E.C.3.4.21.37
- leukocyte elastase.
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Reaction:
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Hydrolysis of proteins, including elastin. Preferential cleavage: Val-|-Xaa > Ala-|-Xaa.
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Embo J
5:2453-2458
(1986)
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PubMed id:
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X-ray crystal structure of the complex of human leukocyte elastase (PMN elastase) and the third domain of the turkey ovomucoid inhibitor.
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W.Bode,
A.Z.Wei,
R.Huber,
E.Meyer,
J.Travis,
S.Neumann.
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ABSTRACT
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Orthorhombic crystals diffracting beyond 1.7 A resolution, have been grown from
the stoichiometric complex formed between human leukocyte elastase (HLE) and the
third domain of turkey ovomucoid inhibitor (OMTKY3). The crystal and molecular
structure has been determined with the multiple isomorphous replacement
technique. The complex has been modeled using the known structure of OMTKY3 and
partial sequence information for HLE, and has been refined. The current
crystallographic R-value is 0.21 for reflections from 25 to 1.8 A resolution.
HLE shows the characteristic polypeptide fold of trypsin-like serine proteinases
and consists of 218 amino acid residues. However, several loop segments, mainly
arranged around the substrate binding site, have unique conformations. The
largest deviations from the other vertebrate proteinases of known spatial
structure are around Cys168. The specificity pocket is constricted by Val190,
Val216 and Asp226 to preferentially accommodate medium sized hydrophobic amino
acids at P1. Seven residues of the OMTKY3-binding segment are in specific
contact with HLE. This interaction and geometry around the reactive site are
similar as observed in other complexes. It is the first serine proteinase
glycoprotein analysed, having two sugar chains attached to Asn159 and to residue
109.
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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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PDB code:
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Structure of the subtilisin Carlsberg-OMTKY3 complex reveals two different ovomucoid conformations.
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Acta Crystallogr D Biol Crystallogr,
61,
580-588.
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PDB code:
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M.Cuccioloni,
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Crystal structure of the apoptosis-inducing human granzyme A dimer.
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Nat Struct Biol,
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PDB code:
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J.Aÿ,
K.Hilpert,
N.Krauss,
J.Schneider-Mergener,
and
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Structure of a hybrid squash inhibitor in complex with porcine pancreatic elastase at 1.8 A resolution.
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PDB code:
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C.Hink-Schauer,
E.Estébanez-Perpiñá,
E.Wilharm,
P.Fuentes-Prior,
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The 2.2-A crystal structure of human pro-granzyme K reveals a rigid zymogen with unusual features.
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PDB codes:
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R.E.Georgescu,
E.G.Alexov,
and
M.R.Gunner
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Combining conformational flexibility and continuum electrostatics for calculating pK(a)s in proteins.
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J.E.Nielsen,
and
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Optimizing the hydrogen-bond network in Poisson-Boltzmann equation-based pK(a) calculations.
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Proteins,
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M.A.Qasim,
S.Anderson,
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M.N.James,
I.Kato,
C.Kelly,
W.Kohr,
T.Komiyama,
T.Y.Lin,
M.Ogawa,
J.Otlewski,
S.J.Park,
S.Qasim,
M.Ranjbar,
M.Tashiro,
N.Warne,
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Predicting the reactivity of proteins from their sequence alone: Kazal family of protein inhibitors of serine proteinases.
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Crystal structure of the caspase activator human granzyme B, a proteinase highly specific for an Asp-P1 residue.
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Biol Chem,
381,
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PDB code:
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H.Filippusson,
L.S.Erlendsson,
and
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Design, synthesis and evaluation of biomimetic affinity ligands for elastases.
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Structure of porcine pancreatic elastase complexed with FR901277, a novel macrocyclic inhibitor of elastases, at 1.6 A resolution.
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Biopolymers,
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PDB code:
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C.Boudier,
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Potent inhibition of serine proteases by heterocyclic sulfide derivatives of 1,2,5-thiadiazolidin-3-one 1,1 dioxide.
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U.Jacob,
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(4-aminomethyl)phenylguanidine derivatives as nonpeptidic highly selective inhibitors of human urokinase.
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PDB code:
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W.R.Forsyth,
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Insensitivity of perturbed carboxyl pK(a) values in the ovomucoid third domain to charge replacement at a neighboring residue.
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Selection of human elastase inhibitors from a conformationally constrained combinatorial peptide library.
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The crystal structure of the novel snake venom plasminogen activator TSV-PA: a prototype structure for snake venom serine proteinases.
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Structure,
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PDB code:
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M.M.Krem,
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Conserved water molecules in the specificity pocket of serine proteases and the molecular mechanism of Na+ binding.
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Proteins,
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R.C.Wilmouth,
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Inhibition of elastase by N-sulfonylaryl beta-lactams: anatomy of a stable acyl-enzyme complex.
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Biochemistry,
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PDB code:
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R.Kuang,
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PDB code:
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|
W.C.Groutas,
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Structure-based design of a general class of mechanism-based inhibitors of the serine proteinases employing a novel amino acid-derived heterocyclic scaffold.
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PDB code:
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D.H.Shin,
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PDB codes:
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J.Antosiewicz,
J.A.McCammon,
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The determinants of pKas in proteins.
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Biochemistry,
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M.Tsunemi,
Y.Matsuura,
S.Sakakibara,
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(1996).
Crystal structure of an elastase-specific inhibitor elafin complexed with porcine pancreatic elastase determined at 1.9 A resolution.
|
| |
Biochemistry,
35,
11570-11576.
|
|
|
PDB code:
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|
|
P.Hof,
I.Mayr,
R.Huber,
E.Korzus,
J.Potempa,
J.Travis,
J.C.Powers,
and
W.Bode
(1996).
The 1.8 A crystal structure of human cathepsin G in complex with Suc-Val-Pro-PheP-(OPh)2: a Janus-faced proteinase with two opposite specificities.
|
| |
EMBO J,
15,
5481-5491.
|
|
|
PDB code:
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J.Janin
(1995).
Elusive affinities.
|
| |
Proteins,
21,
30-39.
|
|
|
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|
|
|
K.Huang,
W.Lu,
S.Anderson,
M.Laskowski,
and
M.N.James
(1995).
Water molecules participate in proteinase-inhibitor interactions: crystal structures of Leu18, Ala18, and Gly18 variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B.
|
| |
Protein Sci,
4,
1985-1997.
|
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PDB codes:
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M.Abul Qasim,
M.R.Ranjbar,
R.Wynn,
S.Anderson,
and
M.Laskowski
(1995).
Ionizable P1 residues in serine proteinase inhibitors undergo large pK shifts on complex formation.
|
| |
J Biol Chem,
270,
27419-27422.
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K.Huang,
N.C.Strynadka,
V.D.Bernard,
R.J.Peanasky,
and
M.N.James
(1994).
The molecular structure of the complex of Ascaris chymotrypsin/elastase inhibitor with porcine elastase.
|
| |
Structure,
2,
679-689.
|
|
|
PDB code:
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|
B.B.Masek,
A.Merchant,
and
J.B.Matthew
(1993).
Molecular skins: a new concept for quantitative shape matching of a protein with its small molecule mimics.
|
| |
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PDB codes:
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PDB codes:
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M.Bolognesi,
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PDB code:
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PDB code:
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Where a reference describes a PDB structure, the PDB
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