Structure of PDB 7llq Chain A Binding Site BS02

Receptor Information
>7llq Chain A (length=608) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVDTCSLASPASVCRTKHLHLRCSVDFTRRTLTGTAALTVQSQEDNLRSL
VLDTKDLTIEKVVINGQEVKYALGERQSYKGSPMEISLPIALSKNQEIVI
EISFETSPKSSALQWLTPEQTSGKEHPYLFSQCQAIHCRAILPCQDTPSV
KLTYTAEVSVPKELVALMSAIRDGETPDPEDPSRKIYKFIQKVPIPCYLI
ALVVGALESRQIGPRTLVWSEKEQVEKSAYEFSETESMLKIAEDLGGPYV
WGQYDLLVLPPSFPYGGMENPCLTFVTPTLLAGDKSLSNVIAHEISHSWT
GNLVTNKTWDHFWLNEGHTVYLERHICGRLFGEKFRHFNALGGWGELQNS
VKTFGETHPFTKLVVDLTDIDPDVAYSSVPYEKGFALLFYLEQLLGGPEI
FLGFLKAYVEKFSYKSITTDDWKDFLYSYFKDKVDVLNQVDWNAWLYSPG
LPPIKPNYDMTLTNACIALSQRWITAKEDDLNSFNATDLKDLSSHQLNEF
LAQTLQRAPLPLGHIKRMQEVYNFNAINNSEIRFRWLRLCIQSKWEDAIP
LALKMATEQGRMKFTRPLFKDLAAFDKSHDQAVRTYQEHKASMHPVTAML
VGKDLKVD
Ligand information
Ligand IDN0Y
InChIInChI=1S/C14H14O/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyGQLYCRTUQGSDSM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1)Cc2ccccc2
CACTVS 3.385COc1ccc(Cc2ccccc2)cc1
ACDLabs 12.01c1c(cccc1)Cc2ccc(cc2)OC
FormulaC14 H14 O
Name1-benzyl-4-methoxybenzene
ChEMBLCHEMBL1915868
DrugBank
ZINCZINC000001640891
PDB chain7llq Chain A Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7llq Substrate-dependent modulation of the leukotriene A 4 hydrolase aminopeptidase activity and effect in a murine model of acute lung inflammation.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		A137 Y267 W311 F314 V367 P374 A377 Y378
Binding residue
(residue number reindexed from 1)		A135 Y265 W309 F312 V365 P372 A375 Y376
Annotation score1
Enzymatic activity
Enzyme Commision number 3.3.2.6: leukotriene-A4 hydrolase.
3.4.11.4: tripeptide aminopeptidase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0004177 aminopeptidase activity
GO:0004301 epoxide hydrolase activity
GO:0004463 leukotriene-A4 hydrolase activity
GO:0005515 protein binding
GO:0008233 peptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0045148 tripeptide aminopeptidase activity
GO:0046872 metal ion binding
GO:0070006 metalloaminopeptidase activity
Biological Process
GO:0006508 proteolysis
GO:0006629 lipid metabolic process
GO:0006691 leukotriene metabolic process
GO:0010043 response to zinc ion
GO:0019370 leukotriene biosynthetic process
GO:0019538 protein metabolic process
GO:0043171 peptide catabolic process
GO:0043434 response to peptide hormone
GO:0060509 type I pneumocyte differentiation
Cellular Component
GO:0005576 extracellular region
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0070062 extracellular exosome
GO:1904724 tertiary granule lumen
GO:1904813 ficolin-1-rich granule lumen

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7llq, PDBe:7llq, PDBj:7llq
PDBsum7llq
PubMed35676292
UniProtP09960|LKHA4_HUMAN Leukotriene A-4 hydrolase (Gene Name=LTA4H)

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