Structure of PDB 6d71 Chain B Binding Site BS01

Receptor Information
>6d71 Chain B (length=169) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVRILLVGEPRVGKTSLIMSLVSEEFPEEVPPRAEEITIPADVTPERVPT
HIVDYSEAEQSDEQLHQEISQANVICIVYAVNNKHSIDKVTSRWIPLINE
RTDKDSRLPLILVGNKSDLVEYSSMETILPIMNQYTEIETCVECSAKNLK
NISELFYYAQKAVLHPTGP
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain6d71 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6d71 Insight into human Miro1/2 domain organization based on the structure of its N-terminal GTPase.
Resolution1.71808 Å
Binding residue
(original residue number in PDB)		R14 G16 K17 T18 S19 V33 N118 K119 D121 L122 S148 A149 K150
Binding residue
(residue number reindexed from 1)		R11 G13 K14 T15 S16 V30 N115 K116 D118 L119 S145 A146 K147
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.5.-
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0007264 small GTPase-mediated signal transduction

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Molecular Function
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Biological Process
External links
PDB RCSB:6d71, PDBe:6d71, PDBj:6d71
PDBsum6d71
PubMed33132189
UniProtQ8IXI2|MIRO1_HUMAN Mitochondrial Rho GTPase 1 (Gene Name=RHOT1)

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