1l1h
From Proteopedia
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|PDB= 1l1h |SIZE=350|CAPTION= <scene name='initialview01'>1l1h</scene>, resolution 1.75Å | |PDB= 1l1h |SIZE=350|CAPTION= <scene name='initialview01'>1l1h</scene>, resolution 1.75Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=PYN:3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-1-YL-PROPIONYLAMINO)-ACRIDIN-3-YL]-PROPIONAMIDE'>PYN | + | |LIGAND= <scene name='pdbligand=DG:2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE'>DG</scene>, <scene name='pdbligand=DT:THYMIDINE-5'-MONOPHOSPHATE'>DT</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=PYN:3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-1-YL-PROPIONYLAMINO)-ACRIDIN-3-YL]-PROPIONAMIDE'>PYN</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1l1h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1l1h OCA], [http://www.ebi.ac.uk/pdbsum/1l1h PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1l1h RCSB]</span> | ||
}} | }} | ||
| Line 24: | Line 27: | ||
[[Category: Neidle, S.]] | [[Category: Neidle, S.]] | ||
[[Category: Parkinson, G N.]] | [[Category: Parkinson, G N.]] | ||
| - | [[Category: K]] | ||
| - | [[Category: PYN]] | ||
[[Category: four-stranded dna]] | [[Category: four-stranded dna]] | ||
[[Category: g-quadruplex]] | [[Category: g-quadruplex]] | ||
[[Category: oxytricha]] | [[Category: oxytricha]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:56:40 2008'' |
Revision as of 18:56, 30 March 2008
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| , resolution 1.75Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , , | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal Structure of the Quadruplex DNA-Drug Complex
Overview
Stabilisation of G-quadruplex structures formed from telomeric DNA, by means of quadruplex-selective ligands, is a means of inhibiting the telomerase enzyme from catalysing the synthesis of telomeric DNA repeats. In order to understand the molecular basis of ligand-quadruplex recognition, the crystal structure has been determined of such a complex, at 1.75A resolution. This complex is between a dimeric antiparallel G-quadruplex formed from the Oxytricha nova telomeric DNA sequence d(GGGGTTTTGGGG), and a di-substituted aminoalkylamido acridine compound. The structure shows that the acridine moiety is bound at one end of the stack of G-quartets, within one of the thymine loops. It is held in place by a combination of stacking interactions and specific hydrogen bonds with thymine bases. The stability of the ligand in this binding site has been confirmed by a 2ns molecular dynamics simulation.
About this Structure
1L1H is a Protein complex structure of sequences from [1]. Full crystallographic information is available from OCA.
Reference
Structure of a G-quadruplex-ligand complex., Haider SM, Parkinson GN, Neidle S, J Mol Biol. 2003 Feb 7;326(1):117-25. PMID:12547195
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