We apologize for Proteopedia being slow to respond. For the past two years, a new implementation of Proteopedia has been being built. Soon, it will replace this 18-year old system. All existing content will be moved to the new system at a date that will be announced here.

3b2w

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Line 4: Line 4:
|PDB= 3b2w |SIZE=350|CAPTION= <scene name='initialview01'>3b2w</scene>, resolution 2.30&Aring;
|PDB= 3b2w |SIZE=350|CAPTION= <scene name='initialview01'>3b2w</scene>, resolution 2.30&Aring;
|SITE= <scene name='pdbsite=AC1:9nh+Binding+Site+For+Residue+A+601'>AC1</scene>
|SITE= <scene name='pdbsite=AC1:9nh+Binding+Site+For+Residue+A+601'>AC1</scene>
-
|LIGAND= <scene name='pdbligand=9NH:'>9NH</scene>
+
|LIGAND= <scene name='pdbligand=9NH:N-[5-({[2-FLUORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)-2-METHYLPHENYL]-4-METHOXY-2-[(4-PIPERAZIN-1-YLPHENYL)AMINO]PYRIMIDINE-5-CARBOXAMIDE'>9NH</scene>
-
|ACTIVITY= [http://en.wikipedia.org/wiki/Non-specific_protein-tyrosine_kinase Non-specific protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.2 2.7.10.2]
+
|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_protein-tyrosine_kinase Non-specific protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.2 2.7.10.2] </span>
|GENE= LCK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
|GENE= LCK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
 +
|DOMAIN=
 +
|RELATEDENTRY=[[2ofv|2OFV]]
 +
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3b2w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3b2w OCA], [http://www.ebi.ac.uk/pdbsum/3b2w PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=3b2w RCSB]</span>
}}
}}
Line 14: Line 17:
==Overview==
==Overview==
N-3-(Phenylcarbamoyl)arylpyrimidine-5-carboxamides are a novel class of selective Lck inhibitors. This series of compounds derives its selectivity from a hydrogen bond with the gatekeeper Thr316 of the enzyme. X-ray co-crystal structural data, structure-activity relationships, and the synthesis of these inhibitors are reported herein.
N-3-(Phenylcarbamoyl)arylpyrimidine-5-carboxamides are a novel class of selective Lck inhibitors. This series of compounds derives its selectivity from a hydrogen bond with the gatekeeper Thr316 of the enzyme. X-ray co-crystal structural data, structure-activity relationships, and the synthesis of these inhibitors are reported herein.
 +
 +
==Disease==
 +
Known disease associated with this structure: SCID due to LCK deficiency OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=153390 153390]]
==About this Structure==
==About this Structure==
Line 24: Line 30:
[[Category: Single protein]]
[[Category: Single protein]]
[[Category: Huang, X.]]
[[Category: Huang, X.]]
-
[[Category: 9NH]]
 
[[Category: alternative splicing]]
[[Category: alternative splicing]]
[[Category: atp-binding]]
[[Category: atp-binding]]
Line 45: Line 50:
[[Category: tyrosine-protein kinase]]
[[Category: tyrosine-protein kinase]]
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:55:38 2008''
+
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:22:33 2008''

Revision as of 02:22, 31 March 2008

Image:3b2w.jpg


PDB ID 3b2w

Drag the structure with the mouse to rotate
, resolution 2.30Å
Sites:
Ligands:
Gene: LCK (Homo sapiens)
Activity: Non-specific protein-tyrosine kinase, with EC number 2.7.10.2
Related: 2OFV


Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Crystal structure of pyrimidine amide 11 bound to Lck


Contents

Overview

N-3-(Phenylcarbamoyl)arylpyrimidine-5-carboxamides are a novel class of selective Lck inhibitors. This series of compounds derives its selectivity from a hydrogen bond with the gatekeeper Thr316 of the enzyme. X-ray co-crystal structural data, structure-activity relationships, and the synthesis of these inhibitors are reported herein.

Disease

Known disease associated with this structure: SCID due to LCK deficiency OMIM:[153390]

About this Structure

3B2W is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

N-(3-(phenylcarbamoyl)arylpyrimidine)-5-carboxamides as potent and selective inhibitors of Lck: structure, synthesis and SAR., Deak HL, Newcomb JR, Nunes JJ, Boucher C, Cheng AC, DiMauro EF, Epstein LF, Gallant P, Hodous BL, Huang X, Lee JH, Patel VF, Schneider S, Turci SM, Zhu X, Bioorg Med Chem Lett. 2008 Feb 1;18(3):1172-6. Epub 2007 Dec 5. PMID:18083554

Page seeded by OCA on Mon Mar 31 05:22:33 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/3b2w"
Personal tools