Structure of PDB 4ww0 Chain A Binding Site BS02

Receptor Information
>4ww0 Chain A (length=420) Species: 224324 (Aquifex aeolicus VF5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAKVYIEEKPKVTFKDVAGIEEVKEEVKEIIEYLKDPVKFQKLGGRPPKG
VLLYGEPGVGKTLLAKAIAGEAHVPFISVSGSDFVEMFVGVGAARVRDLF
ETAKKHAPCMIFIDEIDAVGREREQTLNQLLVEMDGFDTSDGIIVIAATN
RPDILDPALLRPGRFDRQIFIPKPDVRGRYEILKVHARNKKLAKDVDLEF
VARATPGLTGADLENLLNEAALLAARKGKEEITMEEIEEALDRITMTISP
KEKEKIAIHEAGHALMGLVSDDDDKVHKISIIPHIYDKKDLYNKILVLLG
GRAAEEVFFGKDGITTGAENDLQRATDLAYRMVSMWGMSDKVGPIAIRRD
TSPDLLREIDEEVRRIITEQYEKAKAIVEEYKEPLKAVVKKLLEKETITC
EEFVEVFKLYGIELKDKCKK
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 chain4ww0 Chain A Residue 702 [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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PDB4ww0 The structure of Aquifex aeolicus FtsH in the ADP-bound state reveals a C2-symmetric hexamer.
Resolution2.96 Å
Binding residue
(original residue number in PDB)		A158 G198 V199 G200 K201 T202 L203 I334 H338 G362 A363 E366
Binding residue
(residue number reindexed from 1)		A18 G58 V59 G60 K61 T62 L63 I182 H186 G210 A211 E214
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:4ww0, PDBe:4ww0, PDBj:4ww0
PDBsum4ww0
PubMed26057670
UniProtO67077|FTSH_AQUAE ATP-dependent zinc metalloprotease FtsH (Gene Name=ftsH)

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