Structure of PDB 7wi4 Chain D Binding Site BS01

Receptor Information
>7wi4 Chain D (length=410) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLTEDQIKTTFADVAGCDEAKEEVAELVEYLREPSRFQKLGGKIPKGVLM
VGPPGTGKTLLAKAIAGEAKVPFFTISGASRVRDMFEQAKKAAPCIIFID
QIREQTLNQMLVEMDGFEGNEGIIVIAATNRPGRFDRQVVVGLPDVRGRE
QILKVHMRRVPLAPDIDAAIIARGTPGFSGADLANLVNEAALFAARGNKR
VVSMVEFEKAKDKIMMGAERRSMVMTEAQKESTAYHQAGHAIIGRLVPEH
DPVHKVTIIPRGRALGVTFFLPEGDAISASRQKLESQISTLYGGRLAEEI
IYGPEHVSTGASNDIKVATNLARNMVTQWGFSEKLGPLLYAHMSDETARI
IDQEVKALIERNYNRARQLLTDNMDILHAMKDALMKYETIDAPQIDDLMA
RRDVRPPAGW
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain7wi4 Chain D Residue 701 [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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PDB7wi4 Cryo-EM structure of the entire FtsH-HflKC AAA protease complex.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		A155 P194 G195 T196 G197 K198 T199 L200
Binding residue
(residue number reindexed from 1)		A15 P54 G55 T56 G57 K58 T59 L60
Annotation score3
Enzymatic activity
Enzyme Commision number 3.4.24.-
Gene Ontology
Molecular Function
GO:0004176 ATP-dependent peptidase activity
GO:0004222 metalloendopeptidase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008233 peptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
GO:0030163 protein catabolic process
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0098796 membrane protein complex
GO:0098797 plasma membrane protein complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7wi4, PDBe:7wi4, PDBj:7wi4
PDBsum7wi4
PubMed35649372
UniProtP0AAI3|FTSH_ECOLI ATP-dependent zinc metalloprotease FtsH (Gene Name=ftsH)

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