Structure of PDB 6g6z Chain A Binding Site BS02

Receptor Information
>6g6z Chain A (length=333) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKNIQVVVRCRPFNLAERSAHSIVECDPVRKEVSVRTGGLADKSSRKTYT
FDMVFGASTKQIDVYRSVVCPILDEVIMGYNCTIFAYGQTGTGKTFTMEG
ERSPNEEYTWEEDPLAGIIPRTLHQIFEKLTDNGTEFSVKVSLLEIYNEE
LFDLLNPSSDVSERLQMFDDPRNKRGVIIKGLEEITVHNKDEVYQILEKG
AAKRTTAATLMNAYSSRSHSVFSVTIHMKETTIDGEELVKIGKLNLVDLA
GSENINQSLLTLGRVITALVERTPHVPYRESKLTRILQDSLGGRTRTSII
ATISPASLNLEETLSTLEYAHRAKNILNKPEVN
Ligand information
Ligand IDEOK
InChIInChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)/t13-/m0/s1
InChIKeyJEFVYQYZCAVNTP-ZDUSSCGKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)/N=C\1/NN([C@](S1)(C)c2ccccc2)C(=O)C
OpenEye OEToolkits 2.0.6CC(=O)N=C1NN(C(S1)(C)c2ccccc2)C(=O)C
CACTVS 3.385CC(=O)N=C1NN(C(C)=O)[C@@](C)(S1)c2ccccc2
CACTVS 3.385CC(=O)N=C1NN(C(C)=O)[C](C)(S1)c2ccccc2
FormulaC13 H15 N3 O2 S
Name(~{N}~{Z})-~{N}-[(5~{S})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide
ChEMBLCHEMBL4283764
DrugBank
ZINCZINC000000054577
PDB chain6g6z Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6g6z Crystal structure of the Eg5 - K858 complex and implications for structure-based design of thiadiazole-containing inhibitors.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		E118 R119 A133 Y211 L214
Binding residue
(residue number reindexed from 1)		E101 R102 A116 Y194 L197
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=6.66,Kd=220nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003777 microtubule motor activity
GO:0005524 ATP binding
GO:0008017 microtubule binding
Biological Process
GO:0007018 microtubule-based movement

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Molecular Function
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Biological Process
External links
PDB RCSB:6g6z, PDBe:6g6z, PDBj:6g6z
PDBsum6g6z
PubMed30031975
UniProtP52732|KIF11_HUMAN Kinesin-like protein KIF11 (Gene Name=KIF11)

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