Structure of PDB 6gcn Chain A Binding Site BS01

Receptor Information
>6gcn Chain A (length=418) Species: 224324 (Aquifex aeolicus VF5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKVTFKDVAGIEEVKEEVKEIIEYLKDPVKFQPPKGVLLYGEPGVGKTLL
AKAIAGEAHVPFISVSGSDFVEMFVGVGAARVRDLFETAKKHAPCIIFID
EIDAVGRADEREQTLNQLLVEMDGFDTSDGIIVIAATNRPDILDPALLRP
GRFDRQIFIPKPDVRGRYEILKVHARNKKLAKDVDLEFVARATPGFTGAD
LENLLNEAALLAARKGKEEITMEEIEEALDRITMGKGMTISPKEKEKIAI
HEAGHALMGLVSDDDDKVHKISIIPRGKHIYDKKDLYNKILVLLGGRAAE
EVFFGKDGITTGAENDLQRATDLAYRMVSMWGMSDKVGPIAIRRTTAVDT
SPDLLREIDEEVKRIITEQYEKAKAIVEEYKEPLKAVVKKLLEKETITCE
EFVEVFKLYGIELKDKCK
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 chain6gcn Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6gcn Conformational flexibility of pore loop-1 gives insights into substrate translocation by the AAA+protease FtsH.
Resolution2.949 Å
Binding residue
(original residue number in PDB)		A158 G198 V199 G200 K201 T202 L203 H338 G362 A363 E366
Binding residue
(residue number reindexed from 1)		A9 G44 V45 G46 K47 T48 L49 H174 G198 A199 E202
Annotation score5
Enzymatic activity
Enzyme Commision number 3.4.24.-
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:6gcn, PDBe:6gcn, PDBj:6gcn
PDBsum6gcn
PubMed30118817
UniProtO67077|FTSH_AQUAE ATP-dependent zinc metalloprotease FtsH (Gene Name=ftsH)

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