Structure of PDB 7fd4 Chain E Binding Site BS02

Receptor Information
>7fd4 Chain E (length=779) Species: 172827 (Meiothermus taiwanensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLELPVIPLRNTVILPHTTTPVDVGRAKSKRAVEEAMGADRLIFLVAQRD
PEVDDPAPDDLYTWGVQAVVKQAMRLPDGTLQVMVEARARAQVTDYIPGP
YLRARGEVFSEIFPIDEAVVRVLVEELKEAFEKYVANHKSLRLDRYQLEA
VKGTSDPAMLADTIAYHATWTVAEKQEILELTDLEARLKKVLGLLSRDLE
RFELDKRVAQRVKEQMDTNQREYYLREQMKAIQKELGGEDGLSDLEALRK
KIEEVGMPEAVKTKALKELDRLERMQQGSPEATVARTYLDWLTEVPWSKA
DPEVLDINHTRQVLDEDHYGLKDVKERILEYLAVRQLTQGLDVRNKAPIL
VLVGPPGVGKTSLGRSIARSMNRKFHRISLGGVRDEAEIRGHRRTYIGAM
PGKLIHAMKQVGVINPVILLDEIDKMSSDWRGDPASAMLEVLDPEQNNTF
TDHYLDVPYDLSKVFFITTANTLQTIPRPLLDRMEVIEIPGYTNMEKQAI
ARQYLWPKQVRESGMEGRIEVTDAAILRVISEYTREAGVRGLERELGKIA
RKGAKFWLEGAWEGLRTIDASDIPTYLGIPRYRPDKAETEPQVGTAQGLA
WTPVGGTLLTIEVAAVPGSGKLSLTGQLGEVMKESAQAALTYLRAHTQDY
GLPEDFYNKVDLHVHVPDGATPKDGPSAGITMATAIASALSRRPARMDIA
MTGEVSLRGKVMPIGGVKEKLLAAHQAGIHKIVLPKDNEAQLEELPKEVL
EGLEIKLVEDVGEVLEYLLLPEPTMPPVV
Ligand information
Ligand ID4KZ
InChIInChI=1S/C22H23BN4O4/c28-21(27-20(23(30)31)14-17-9-5-2-6-10-17)18(13-16-7-3-1-4-8-16)26-22(29)19-15-24-11-12-25-19/h1-12,15,18,20,30-31H,13-14H2,(H,26,29)(H,27,28)/t18-,20-/m0/s1
InChIKeyILENEQWIGPQYCQ-ICSRJNTNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2B(C(Cc1ccccc1)NC(=O)C(Cc2ccccc2)NC(=O)c3cnccn3)(O)O
OpenEye OEToolkits 1.9.2B([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3cnccn3)(O)O
CACTVS 3.385OB(O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3cnccn3
CACTVS 3.385OB(O)[CH](Cc1ccccc1)NC(=O)[CH](Cc2ccccc2)NC(=O)c3cnccn3
ACDLabs 12.01c3(C(=O)NC(C(=O)NC(Cc1ccccc1)B(O)O)Cc2ccccc2)cnccn3
FormulaC22 H23 B N4 O4
NameN-[(1R)-1-(dihydroxyboranyl)-2-phenylethyl]-Nalpha-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide
ChEMBL
DrugBank
ZINCZINC000584904899
PDB chain7fd4 Chain E Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7fd4 Complete three-dimensional structures of the Lon protease translocating a protein substrate.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		A601 W602 T603 L610 M633 K674 D675 G676 P677 S678 A679 K721
Binding residue
(residue number reindexed from 1)		A600 W601 T602 L609 M632 K673 D674 G675 P676 S677 A678 K720
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.21.53: endopeptidase La.
Gene Ontology
Molecular Function
GO:0004176 ATP-dependent peptidase activity
GO:0004252 serine-type endopeptidase activity
GO:0005524 ATP binding
GO:0008236 serine-type peptidase activity
GO:0016887 ATP hydrolysis activity
GO:0042802 identical protein binding
GO:0043565 sequence-specific DNA binding
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
GO:0006515 protein quality control for misfolded or incompletely synthesized proteins
GO:0030163 protein catabolic process
GO:0034605 cellular response to heat
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7fd4, PDBe:7fd4, PDBj:7fd4
PDBsum7fd4
PubMed34652947
UniProtA0A059VAZ3

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