Structure of PDB 2owm Chain B Binding Site BS01

Receptor Information
>2owm Chain B (length=327) Species: 5141 (Neurospora crassa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANVRVVVRVRAFLPRELERNAECIVEMDPATERTSLLVPQLEEKSFTFDK
SFWSHNTEDEHYATQEHVYDSLGEEFLDHNFEGYHTCIFAYGQTGSGKSY
TMMGTPDQPGLIPRTCEDLFQRIASAQDETPNISYNVKVSYFEVYNEHVR
DLLAPVVPNKPPYYLKVRESPTEGPYVKDLTEVPVRGLEEIIRWMRIGDG
SRTVASTKMNDTSSRSHAVFTIMLKQIHHTTERSSRIRLVDLAGSERASN
INKSLTTLGRVIAALADVVPYRDSVLTWLLKDSLGGNSKTAMIACISPTD
YDETLSTLRYADQAKRIRTRAVVNQVD
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 chain2owm Chain B Residue 1002 [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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PDB2owm X-ray Structure and Microtubule Interaction of the Motor Domain of Neurospora crassa NcKin3, a Kinesin with Unusual Processivity
Resolution3.25 Å
Binding residue
(original residue number in PDB)		R47 L50 G147 G149 K150 S151 Y152
Binding residue
(residue number reindexed from 1)		R10 L13 G95 G97 K98 S99 Y100
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.4.4: Transferred entry: 5.6.1.3.
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:2owm, PDBe:2owm, PDBj:2owm
PDBsum2owm
PubMed18205396
UniProtQ9C2M3

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