Structure of PDB 5goe Chain A Binding Site BS01

Receptor Information
>5goe Chain A (length=384) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVSPLKHFVLAKKAITAIFDQLLEFVTEGSHFVEATYKNPELDRIATEDD
LVEMQGYKDKLSIIGEVLSRRHMKVAFFGRTSSGKSSVINAMLWDKVLPS
GIGHITNCFLSVEGTDGDKAYLMTEGSDEKKSVKTVNQLAGCLVRVFWPK
AKCALLRDDLVLVDSPGTDVTDSWIDKFCLDADVFVLVANSESTLMNTEK
HFFHKVNERLSKPNIFILNNRWDASASEPEYMEDVRRQHMERCLHFLVEE
LKVVNALEAQNRIFFVSAKEVLSARKQKAALAEGFHARLQEFQNFEQIFE
ECISQSAVKTKFEQHTIRAKQILATVKNIMDSVNLAAEDKRHYSARLPKE
IDQLEKIQNNSKLLRNKAVQLENELENFTKQFLP
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain5goe 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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PDB5goe MFN1 structures reveal nucleotide-triggered dimerization critical for mitochondrial fusion
Resolution1.801 Å
Binding residue
(original residue number in PDB)		S85 G87 K88 S89 S90 N237 R238 D240 S284 K286
Binding residue
(residue number reindexed from 1)		S82 G84 K85 S86 S87 N220 R221 D223 S267 K269
Annotation score4
Binding affinityMOAD: Kd=45.7uM
PDBbind-CN: -logKd/Ki=4.34,Kd=45.7uM
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
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Cellular Component
External links
PDB RCSB:5goe, PDBe:5goe, PDBj:5goe
PDBsum5goe
PubMed28114303
UniProtQ8IWA4|MFN1_HUMAN Mitofusin-1 (Gene Name=MFN1)

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