Structure of PDB 5mtv Chain A Binding Site BS01

Receptor Information
>5mtv Chain A (length=379) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGSQTVTGGLRSLYQRKVLPLEEAYRFHEFHSPALEDADFENKPMILLVG
QYSTGKTTFIRYLLEQDFPGMRIGPEPTTDSFIAVMYGETEGSTPGNALV
VDPKKPFRKLSRFGNAFLNRFMCSQLPNQVLKSISIIDSPGILISRGYDF
CQVLQWFAERVDRIILLFDAHKLDISDEFSEAIKAFRGQDDKIRVVLNKA
DQVDTQQLMRVYGALMWSLGKVINTPEVLRVYIGSFWAQPLQNTDNRRLF
EAEAQDLFRDIQSLPQKAAVRKLNDLIKRARLAKVHAYIISYLKKEMPNM
FGKENKKRELIYRLPEIYVQLQREYQISAGDFPEVKAMQEQLENYDFTKF
HSLKPKLIEAVDNMLTNKISSLMGLISQE
Ligand information
Ligand IDAGS
InChIInChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
InChIKeyNLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC10 H16 N5 O12 P3 S
NamePHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE
ChEMBLCHEMBL131890
DrugBankDB02930
ZINCZINC000008295128
PDB chain5mtv Chain A Residue 1000 [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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PDB5mtv Structural insights into the activation mechanism of dynamin-like EHD ATPases.
Resolution2.79 Å
Binding residue
(original residue number in PDB)		S71 G73 K74 T75 T76 P93 D98 D156 K223 W261
Binding residue
(residue number reindexed from 1)		S53 G55 K56 T57 T58 P75 D80 D138 K199 W237
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.11,Kd=77uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0005525 GTP binding
GO:0046872 metal ion binding
Biological Process
GO:0006907 pinocytosis
GO:0030100 regulation of endocytosis
GO:0032456 endocytic recycling
GO:0050731 positive regulation of peptidyl-tyrosine phosphorylation
GO:0051260 protein homooligomerization
GO:0071363 cellular response to growth factor stimulus
Cellular Component
GO:0005737 cytoplasm
GO:0005768 endosome
GO:0005783 endoplasmic reticulum
GO:0005886 plasma membrane
GO:0031901 early endosome membrane
GO:0048471 perinuclear region of cytoplasm
GO:0055038 recycling endosome membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5mtv, PDBe:5mtv, PDBj:5mtv
PDBsum5mtv
PubMed28228524
UniProtQ9EQP2|EHD4_MOUSE EH domain-containing protein 4 (Gene Name=Ehd4)

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