Structure of PDB 2zyb Chain A |
>2zybA (length=271) Species: 9606 (Homo sapiens) [Search protein sequence] |
KPWWEDEWEVPRETLKLVERLGAGQFGEVWMGYYNGHTKVAVKSLKQGSM SPDAFLAEANLMKQLQHQRLVRLYAVVTQEPIYIITEYMENGSLVDFLKT PSGIKLTINKLLDMAAQIAEGMAFIEERNYIHRDLRAANILVSDTLSCKI ADFGLARLIEDNEYTAREGAKFPIKWTAPEAINYGTFTIKSDVWSFGILL TEIVTHGRIPYPGMTNPEVIQNLERGYRMVRPDNCPEELYQLMRLCWKER PEDRPTFDYLRSVLEDFFTAT |
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PDB | 2zyb The importance of CH/pi hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase |
Chain | A |
Resolution | 2.55 Å |
3D structure |
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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 |
KSL |
A |
A271 T316 L371 |
A41 T86 L141 |
PDBbind-CN: -logKd/Ki=7.70,IC50=20nM BindingDB: IC50=20nM |
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