Structure of PDB 8p0i Chain A Binding Site BS02

Receptor Information
>8p0i Chain A (length=857) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LFPWAQIRLPTAVVPLRYELSLHPNLTSMTFRGSVTISVQALQVTWNIIL
HSTGHNISRVTFMSAVSSQEKQAEILEYAYHGQIAIVAPEALLAGHNYTL
KIEYSANISSSYYGFYGFSYTDESNEKKYFAATQFEPLAARSAFPCFDEP
AFKATFIIKIIRDEQYTALSNMPKKSSVVLDDGLVQDEFSESVKMSTYLV
AFIVGEMKNLSQDVNGTLVSIYAVPEKIGQVHYALETTVKLLEFFQNYFE
IQYPLKKLDLVAIPDFEAGAMENWGLLTFREETLLYDSNTSSMADRKLVT
KIIAHELAHQWFGNLVTMKWWNDLWLNEGFATFMEYFSLEKIFKELSSYE
DFLDARFKTMKKDSLNSSHPISSSVQSSEQIEEMFDSLSYFKGSSLLLML
KTYLSEDVFQHAVVLYLHNHSYASIQSDDLWDSFNEVTNQTLDVKRMMKT
WTLQKGFPLVTVQKKGKELFIQQERFFLNTSYLWHIPLSYVTEGRNYSKY
QSVSLLDKKSGVINLTEEVLWVKVNINMNGYYIVHYADDDWEALIHQLKI
NPYVLSDKDRANLINNIFELAGLGKVPLKRAFDLINYLGNENHTAPITEA
LFQTDLIYNLLEKLGYMDLASRLVTRVFKLLQNQIQQQTWTDEGTPSMRE
LRSALLEFACTHNLGNCSTTAMKLFDDWMASNGTQSLPTDVMTTVFKVGA
KTDKGWSFLLGKYISIGSEAEKNKILEALASSEDVRKLYWLMKSSLNGDN
FRTQKLSFIIRTVGRHFPGHLLAWDFVKENWNKLVQKFPLGSYTIQNIVA
GSTYLFSTKTHLSEVQAFFENQSEATFRLRCVQEALEVIQLNIQWMEKNL
KSLTWWL
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8p0i Chain A Residue 1108 [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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PDB8p0i Stabilization of the open conformation omicron f insulin-regulated aminopeptidase by a novel substrate-selective small-molecule inhibitor.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		H464 H468 E487
Binding residue
(residue number reindexed from 1)		H305 H309 E328
Annotation score4
External links
PDB RCSB:8p0i, PDBe:8p0i, PDBj:8p0i
PDBsum8p0i
PubMed39167040
UniProtQ9UIQ6|LCAP_HUMAN Leucyl-cystinyl aminopeptidase (Gene Name=LNPEP)

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