Structure of PDB 4byf Chain A Binding Site BS02

Receptor Information
>4byf Chain A (length=698) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRVGVQDFVLLENFTSEAAFIENLRRRFRENLIYTYIGPVLVSVNPYRDL
QIYSRQHMERYRGVSFYEVPPHLFAVADTVYRALRTERRDQAVMISGESG
AGKTEATKRLLQFYAETCPAPERGGAVRDRLLQSNPVLEAFGNAKTLRND
NSSRFGKYMDVQFDFKGAPVGGHILSYLLEKSRVVHQNHGERNFHIFYQL
LEGGEEETLRRLGLERNPQSYLYLVKGQCAKVSSINDKSDWKVVRKALTV
IDFTEDEVEDLLSIVASVLHLGNIHFAANENAQVTTENQLKYLTRLLSVE
GSTLREALTHRKIELLSPLNLEQAAYARDALAKAVYSRTFTWLVGKINRS
LASKDVESPSWRSTTVLGLLDIYGFEVFQHNSFEQFCINYCNEKLQQLFI
ELTLKSEQEEYEAEGIAWEPVQYFNNKIICDLVEEKFKGIISILDEECLR
PGEATDLTFLEKLEDTVKHHPHFLTHKLADRKSLGRGEFRLLHYAGEVTY
SVTGFLDKNNDLLFRNLKETMCSSKNPIMSQCFDRSEKRPETVATQFKMS
LLQLVEILQSKEPAYVRCIKPNDAKQPGRFDEVLIRHQVKYLGLLENLRV
RRAGFAYRRKYEAFLQRYKSLCPETWPTWAGRPQDGVAVLVRHLGYKPEE
YKMGRTKIFIRFPKTLFATEDALEVRRQSLATKIQAAWRGFHWRQKFL
Ligand information
Ligand IDAOV
InChIInChI=1S/C10H15N5O10P2.3H2O.O.V/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);3*1H2;;/q;;;;;+4/p-4/t4-,6-,7-,10-;;;;;/m1...../s1
InChIKeySWCHWRVRYDCWAN-AZGWGOJFSA-J
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)(O)O)O)O)N
OpenEye OEToolkits 1.6.1c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O[V](=O)(O)(O)O)O)O)N
CACTVS 3.352Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[V](O)(O)(O)=O)[CH](O)[CH]3O
CACTVS 3.352Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[V](O)(O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H17 N5 O14 P2 V
NameADP ORTHOVANADATE
ChEMBL
DrugBank
ZINC
PDB chain4byf Chain A Residue 1001 [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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PDB4byf Crystal Structure of Human Myosin 1C-the Motor in Glut4 Exocytosis: Implications for Ca(2+) Regulation and 14-3-3 Binding.
Resolution2.74 Å
Binding residue
(original residue number in PDB)		N53 Y61 S107 G108 G110 K111 T112 E113 N157 S160 S161 Y388 G389
Binding residue
(residue number reindexed from 1)		N45 Y53 S99 G100 G102 K103 T104 E105 N149 S152 S153 Y373 G374
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S107 G108 T112 N157 S160 S161 G389 E391
Catalytic site (residue number reindexed from 1) S99 G100 T104 N149 S152 S153 G374 E376
Enzyme Commision number 3.6.4.1: Transferred entry: 5.6.1.8.
Gene Ontology
Molecular Function
GO:0003774 cytoskeletal motor activity
GO:0005524 ATP binding
Cellular Component
GO:0016459 myosin complex

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4byf, PDBe:4byf, PDBj:4byf
PDBsum4byf
PubMed24636949
UniProtO00159|MYO1C_HUMAN Unconventional myosin-Ic (Gene Name=MYO1C)

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