Structure of PDB 5mm7 Chain K Binding Site BS02

Receptor Information
>5mm7 Chain K (length=397) Species: 5270 (Mycosarcoma maydis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NNSNELDRKRSDAGESNIQVVVRVRGQAPNEPKRTAPGILTTSGPRCQQI
DVAIEAPQVSSSSAIASTSNLVQESATRQKSYHFDQVFGPEADQGMVYQD
VVGPILEEVMSGYNCTIFAYGQTGTGKTHTMEGDLTSQMGTYSSEAGIIP
RSLYRLFHTLELSKEDYSVKATFIELYNEELRDLLSIDSSTSSAEPSSSA
TATKEPQHALRMYDDARGKGVVIQGLEEVALKDAAHGLSVLRRGSQKRQI
AATNCNEQSSRSHSVFTMTVFIKDKGSRGEDVLKIGKLNLVDLAGSENIG
RSGAENKRAREAGMINQSLLTLGRVINALVEKNSHIPYRESKLTRLLQES
LGGRTKTCIIATVSQERANIEETLSTLDYALRAKSIKNRPELNTRMT
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain5mm7 Chain K Residue 501 [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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PDB5mm7 Cryo-EM structure of the Ustilago maydis kinesin-5 motor domain bound to microtubules.
Resolution5.1 Å
Binding residue
(original residue number in PDB)		R85 G86 Q87 G184 T185 G186 K187 T188 H189 N316 Q318 S319 S320 A354 G355
Binding residue
(residue number reindexed from 1)		R25 G26 Q27 G124 T125 G126 K127 T128 H129 N256 Q258 S259 S260 A294 G295
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:5mm7, PDBe:5mm7, PDBj:5mm7
PDBsum5mm7
PubMed31288039
UniProtA0A0D1DQH0

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