Structure of PDB 4ozq Chain B Binding Site BS01

Receptor Information
>4ozq Chain B (length=687) Species: 1281237 (Escherichia coli UMEA 3304-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAA
TGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGK
LIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQ
EPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNK
HMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKG
QPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAV
ALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAAS
GRQTVDAALAAAQTNAAAENSQVTVAVRVRPFSKREKTEKASQVVFTNGE
EITVEHPDMKQVYSFIYDVSFWSFDECHPGYASQTTVYETLAAPLLDRAF
EGYNTCLFAYGQTGSGKSYTMMGLNEEPGIIPRFCEDLFAQIAKKQTSEV
SYHLEMSFFEVYNEKIHDLLVCKQPLRAREHPVSGPYVEGLSMNVVSSYS
DIQSWLELGNKQRATADKSSRSHSVFTLVMTQTKTDHRITSRINLVDLAG
SERCGQRLKEGVSINKSLLTLGKVISALSEQANGKRVFIPYRESTLTWLL
KESLGGNSKTAMIATVSPAASNIEETLSTLRYATQAR
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 chain4ozq Chain B Residue 801 [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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PDB4ozq KIF14 binds tightly to microtubules and adopts a rigor-like conformation.
Resolution2.71 Å
Binding residue
(original residue number in PDB)		R399 R401 P402 T484 G485 G487 K488 S489 Y490
Binding residue
(residue number reindexed from 1)		R378 R380 P381 T463 G464 G466 K467 S468 Y469
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003777 microtubule motor activity
GO:0005524 ATP binding
GO:0008017 microtubule binding
GO:0015144 carbohydrate transmembrane transporter activity
Biological Process
GO:0007018 microtubule-based movement
GO:0008643 carbohydrate transport
GO:0055085 transmembrane transport

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4ozq, PDBe:4ozq, PDBj:4ozq
PDBsum4ozq
PubMed24949858
UniProtL0N7N1|KIF14_MOUSE Kinesin-like protein KIF14 (Gene Name=Kif14)

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