Structure of PDB 2ce7 Chain E Binding Site BS02

Receptor Information
>2ce7 Chain E (length=405) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSGNKRVTFKDVGGAEEAIEELKEVVEFLKDPSKFNRIGARMPKGILLVG
PPGTGKTLLARAVAGEANVPFFHISGSDFVELFVGVGAARVRDLFAQAKA
HAPCIVFIDEIDAVGRHEREQTLNQLLVEMDGFDSKEGIIVMAATNRPDI
LDPALLRPGRFDKKIVVDPPDMLGRKKILEIHTRNKPLAEDVNLEIIAKR
TPGFVGADLENLVNEAALLAAREGRDKITMKDFEEAIDRVIALLISPAEK
RIIAYHEAGHAVVSTVVPNGEPVHRISIIKYLVSRNELLDKLTALLGGRA
AEEVVFGDVTSGAANDIERATEIARNMVCQLGMSEELGPLAWGKLRNYSE
EVASKIDEEVKKIVTNCYERAKEIIRKYRKQLDNIVEILLEKETIEGDEL
RRILS
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 chain2ce7 Chain E Residue 1604 [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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PDB2ce7 The Molecular Architecture of the Metalloprotease Ftsh.
Resolution2.44 Å
Binding residue
(original residue number in PDB)		V163 G164 G204 T205 G206 K207 T208 L209 I339 H343 G367 A368 E371
Binding residue
(residue number reindexed from 1)		V12 G13 G53 T54 G55 K56 T57 L58 I178 H182 G206 A207 E210
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:2ce7, PDBe:2ce7, PDBj:2ce7
PDBsum2ce7
PubMed16484367
UniProtQ9WZ49|FTSH_THEMA ATP-dependent zinc metalloprotease FtsH (Gene Name=ftsH)

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