Structure of PDB 4msn Chain A |
>4msnA (length=330) Species: 9606 (Homo sapiens) [Search protein sequence] |
AGTSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVH RSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNH TLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHH FSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQL EEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAE FWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQIL PPTEPLLKACRDNLSQWEKVIRGEETATWI |
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PDB | 4msn Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography. |
Chain | A |
Resolution | 2.3 Å |
3D structure |
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Enzyme Commision number |
3.1.4.17: 3',5'-cyclic-nucleotide phosphodiesterase. |
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Site # |
Ligand |
Ligand chain |
Binding residues on receptor (original residue number in PDB) |
Binding residues on receptor (residue number reindexed from 1) |
Binding affinity |
BS01 |
2ZQ |
A |
M713 Q726 F729 |
M268 Q281 F284 |
MOAD: Ki=94uM PDBbind-CN: -logKd/Ki=4.03,Ki=94uM BindingDB: Ki=94000nM |
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