Structure of PDB 2dhr Chain B Binding Site BS01

Receptor Information
>2dhr Chain B (length=446) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTEAPKVTFKDVAGAEEAKEELKEIVEFLKNPSRFHEMGARIPKGVLLVG
PPGVGKTHLARAVAGEARVPFITASGSDFVEMFVGVGAARVRDLFETAKR
HAPCIVFIDEIDAVGRKNDEREQTLNQLLVEMDGFEKDTAIVVMAATNRP
DILDPALLRPGRFDRQIAIDAPDVKGREQILRIHARGKPLAEDVDLALLA
KRTPGFVGADLENLLNEAALLAAREGRRKITMKDLEEAADRVMMLPAKKS
LVLSPRDRRITAYHEAGHALAAHFLEHADGVHKVTIVPRGRALGFMMPRR
EDMLHWSRKRLLDQIAVALAGRAAEEIVFDDVTTGAENDFRQATELARRM
ITEWGMHPEFGPVAYAVREDTYLGGYDVRQYSEETAKRIDEAVRRLIEEQ
YQRVKALLLEKREVLERVAETLLERETLTAEEFQRVVEGLPLEAPE
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 B Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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 E366
Binding residue
(residue number reindexed from 1)		A13 G53 V54 G55 K56 T57 H58 I180 E212
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2dhr, PDBe:2dhr, PDBj:2dhr
PDBsum2dhr
PubMed16762831
UniProtQ5SI82|FTSH_THET8 ATP-dependent zinc metalloprotease FtsH (Gene Name=ftsH)

[Back to BioLiP]