Structure of PDB 2dhr Chain D Binding Site BS01

Receptor Information
>2dhr Chain D (length=445) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TEAPKVTFKDVAGAEEAKEELKEIVEFLKNPSRFHEMGARIPKGVLLVGP
PGVGKTHLARAVAGEARVPFITASGSDFVEMFVGVGAARVRDLFETAKRH
APCIVFIDEIDAVGRKNDEREQTLNQLLVEMDGFEKDTAIVVMAATNRPD
ILDPALLRPGRFDRQIAIDAPDVKGREQILRIHARGKPLAEDVDLALLAK
RTPGFVGADLENLLNEAALLAAREGRRKITMKDLEEAADRVMMLPAKKSL
VLSPRDRRITAYHEAGHALAAHFLEHADGVHKVTIVPRGRALGFMMPRRE
DMLHWSRKRLLDQIAVALAGRAAEEIVFDDVTTGAENDFRQATELARRMI
TEWGMHPEFGPVAYAVREDTYLGGYDVRQYSEETAKRIDEAVRRLIEEQY
QRVKALLLEKREVLERVAETLLERETLTAEEFQRVVEGLPLEAPE
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 chain2dhr Chain D Residue 4001 [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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PDB2dhr Structure of the Whole Cytosolic Region of ATP-Dependent Protease FtsH
Resolution3.9 Å
Binding residue
(original residue number in PDB)		A159 G199 V200 G201 K202 T203 H204 I334 H338 A363 E366
Binding residue
(residue number reindexed from 1)		A12 G52 V53 G54 K55 T56 H57 I179 H183 A208 E211
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:2dhr, PDBe:2dhr, PDBj:2dhr
PDBsum2dhr
PubMed16762831
UniProtQ5SI82|FTSH_THET8 ATP-dependent zinc metalloprotease FtsH (Gene Name=ftsH)

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