Structure of PDB 3gbj Chain B Binding Site BS01

Receptor Information
>3gbj Chain B (length=298) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVKVAVRIRPMNRRETDLHTKCVVDVDANKVILNPVGQPKVFAYDHCFWS
MDESVKEKYAGQDIVFKCLGENILQNAFDGYNACIFAYGQTGSGKSYTMM
GTADQPGLIPRLCSGLFERTQKEENEEQSFKVEVSYMEIYNEKVRDLLDP
KGSRQTLKVREHSVLGPYVDGLSKLAVTSYKDIESLMSEGNKSRSSRSHA
VFKITLTHTLYGEKVGKLSLVDLAGSERGSNINKSLTTLGLVISALAKFV
PYRDSVLTWLLKDSLGGNSKTAMVATVSPAADNYDETLSTLRYADRAK
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain3gbj Chain B Residue 2001 [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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PDB3gbj Crystal structure of the motor domain of kinesin KIF13B bound with ADP
Resolution2.102 Å
Binding residue
(original residue number in PDB)		R13 P14 T105 G106 G108 K109 S110 Y111
Binding residue
(residue number reindexed from 1)		R9 P10 T91 G92 G94 K95 S96 Y97
Annotation score4
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3gbj, PDBe:3gbj, PDBj:3gbj
PDBsum3gbj
PubMed
UniProtQ9NQT8|KI13B_HUMAN Kinesin-like protein KIF13B (Gene Name=KIF13B)

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