Structure of PDB 5gof Chain A Binding Site BS01

Receptor Information
>5gof Chain A (length=390) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVSPLKHFVLAKKAITAIFDQLLEFVTEGSHFVEATYKNPELDRIATEDD
LVEMQGYKDKLSIIGEVLSRRHMKVAFFGRTSSGKSSVINAMLWDKVLPS
GIGHITNCFLSVEGTDGDKAYLMTEGSDEKKSVKTVNQLAHALHAGCLVR
VFWPKAKCALLRDDLVLVDSPGTDELDSWIDKFCLDADVFVLVANSESTL
MNTEKHFFHKVNERLSKPNIFILNNRWDASASEPEYMEDVRRQHMERCLH
FLVEELKVVNALEAQNRIFFVSAKEVLSARKQKVALAEGFHARLQEFQNF
EQIFEECISQSAVKTKFEQHTIRAKQILATVKNIMDSVNLAAEDKRHYSA
RLPKEIDQLEKIQNNSKLLRNKAVQLENELENFTKQFLPS
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 chain5gof Chain A Residue 901 [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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PDB5gof MFN1 structures reveal nucleotide-triggered dimerization critical for mitochondrial fusion
Resolution1.604 Å
Binding residue
(original residue number in PDB)		T84 S85 G87 K88 S89 S90 N237 R238 D240 S284 K286
Binding residue
(residue number reindexed from 1)		T81 S82 G84 K85 S86 S87 N225 R226 D228 S272 K274
Annotation score4
Binding affinityMOAD: Kd=90.1uM
PDBbind-CN: -logKd/Ki=4.05,Kd=90.1uM
Enzymatic activity
Enzyme Commision number 3.6.5.-
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0008053 mitochondrial fusion
Cellular Component
GO:0005741 mitochondrial outer membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5gof, PDBe:5gof, PDBj:5gof
PDBsum5gof
PubMed28114303
UniProtQ8IWA4|MFN1_HUMAN Mitofusin-1 (Gene Name=MFN1)

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