Structure of PDB 3kds Chain E Binding Site BS02

Receptor Information
>3kds Chain E (length=427) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KRVTFKDVGGAEEAIEELKEVVEFLKDPSKFNRIGARMPKGILLVGPPGT
GATLLARAVAGEANVPFFHISGSDFVELFVGVGAARVRDLFAQAKAHAPC
IVFIDEIDAVGRHDEREQTLNQLLVEMDGFDSKEGIIVMAATNRPDILDP
ALLRPGRFDKKIVVDPPDMLGRKKILEIHTRNKPLAEDVNLEIIAKRTPG
FVGADLENLVNEAALLAAREGRDKITMKDFEEAIDRVIAGPARKSLLISP
AEKRIIAYHEAGHAVVSTVVPNGEPVHRISIIPRGYKALGYTLHLPEEDK
YLVSRNELLDKLTALLGGRAAEEVVFGDVTSGAANDIERATEIARNMVCQ
LGMSEELGPLAWGKRLRNYSEEVASKIDEEVKKIVTNCYERAKEIIRKYR
KQLDNIVEILLEKETIEGDELRRILSE
Ligand information
Ligand IDNHX
InChIInChI=1S/C24H32N4O5/c1-14(2)10-19(13-21(29)28-33)23(31)27-20(24(32)26-15(3)22(25)30)12-16-8-9-17-6-4-5-7-18(17)11-16/h4-9,11,14-15,19-20,33H,10,12-13H2,1-3H3,(H2,25,30)(H,26,32)(H,27,31)(H,28,29)/t15-,19+,20-/m0/s1
InChIKeyCRCPLBFLOSEABN-BEVDRBHNSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)C(N)=O
OpenEye OEToolkits 1.7.0C[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)CC(=O)NO
CACTVS 3.352CC(C)C[CH](CC(=O)NO)C(=O)N[CH](Cc1ccc2ccccc2c1)C(=O)N[CH](C)C(N)=O
OpenEye OEToolkits 1.7.0CC(C)CC(CC(=O)NO)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(C)C(=O)N
FormulaC24 H32 N4 O5
NameN-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-naphthalen-2-yl-L-alanyl-L-alaninamide
ChEMBLCHEMBL1234732
DrugBank
ZINCZINC000003786507
PDB chain3kds Chain E Residue 998 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3kds The crystal structure of apo-FtsH reveals domain movements necessary for substrate unfolding and translocation
Resolution2.601 Å
Binding residue
(original residue number in PDB)		H423 E424 H427 K451 L453 S495 A498 D500
Binding residue
(residue number reindexed from 1)		H259 E260 H263 K287 L289 S331 A334 D336
Annotation score1
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:3kds, PDBe:3kds, PDBj:3kds
PDBsum3kds
PubMed19955424
UniProtQ9WZ49|FTSH_THEMA ATP-dependent zinc metalloprotease FtsH (Gene Name=ftsH)

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