Structure of PDB 6nyy Chain E Binding Site BS03

Receptor Information
>6nyy Chain E (length=467) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSVGETTAKVLKDEIDVKFKDVAGCEEAKLEIMEFVNFLKNPKQYQDLGA
KIPKGAILTGPPGTGKTLLAKATAGEANVPFITVSGSEFLEMFVGVGPAR
VRDLFALARKNAPCILFIDQIDAVGRKRGRGNFGGQSEQENTLNQLLVEM
DGFNTTTNVVILAGTNRPDILDPALLRPGRFDRQIFIGPPDIKGRASIFK
VHLRPLKLDSTLEKDKLARKLASLTPGFSGADVANVCNEAALIAARHLSD
SINQKHFEQAIERVIGGLEKKTQVLQPEEKKTVAYHQAGHAVAGWYLEHA
DPLLKVSIYAQYLPKEQYLYTKEQLLDRMCMTLGGRVSEEIFFGRITTGA
QDDLRKVTQSAYAQIVQFGMNEKVGQISFDLPRQGDMVLEKPYSEATARL
IDDEVRILINDAYKRTVALLTEKKADVEKVALLLLEKEVLDKNDMVELLG
PRPFAEKSTYEEFVEGT
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/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)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain6nyy Chain E Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6nyy Unique Structural Features of the Mitochondrial AAA+ Protease AFG3L2 Reveal the Molecular Basis for Activity in Health and Disease.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		A311 G351 G353 K354 L356 I486 H490 G518 A519
Binding residue
(residue number reindexed from 1)		A23 G63 G65 K66 L68 I198 H202 G230 A231
Annotation score5
Enzymatic activity
Enzyme Commision number 3.4.24.-
3.6.-.-
Gene Ontology
Molecular Function
GO:0004176 ATP-dependent peptidase activity
GO:0004222 metalloendopeptidase activity
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006508 proteolysis
Cellular Component
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:6nyy, PDBe:6nyy, PDBj:6nyy
PDBsum6nyy
PubMed31327635
UniProtQ9Y4W6|AFG32_HUMAN Mitochondrial inner membrane m-AAA protease component AFG3L2 (Gene Name=AFG3L2)

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