Structure of PDB 8cgp Chain A Binding Site BS02

Receptor Information
>8cgp 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]
GKLFPWAQIRLPTAVVPLRYELSLHPNLTSMTFRGSVTISVQALQVTWNI
ILHSTGHNISRVTFMSSQEKQAEILEYAYHGQIAIVAPEALLAGHNYTLK
IEYSANISSSYYGFYGFSYTDESNEKKYFAATQFEPLAARSAFPCFDEPA
FKATFIIKIIRDEQYTALSNMPKKSSVVLDDGLVQDEFSESVKMSTYLVA
FIVGEMKNLSQDVNGTLVSIYAVPEKIGQVHYALETTVKLLEFFQNYFEI
QYPLKKLDLVAIPDFEAGAMENWGLLTFREETLLYDSNTSSMADRKLVTK
IIAHELAHQWFGNLVTMKWWNDLWLNEGFATFMEYFSLEKIFKELSSYED
FLDARFKTMKKDSLNSSHPISSSVQSSEQIEEMFDSLSYFKGSSLLLMLK
TYLSEDVFQHAVVLYLHNHSYASIQSDDLWDSFNEVTNQTLDVKRMMKTW
TLQKGFPLVTVQKKGKELFIQQERFFLNSYLWHIPLSYVTEGRNYSKYQS
VSLLDKKSGVINLTEEVLWVKVNINMNGYYIVHYADDDWEALIHQLKINP
YVLSDKDRANLINNIFELAGLGKVPLKRAFDLINYLGNENHTAPITEALF
QTDLIYNLLEKLGYMDLASRLVTRVFKLLQNQIQQQTWTDEGTPSMRELR
SALLEFACTHNLGNCSTTAMKLFDDWMASNGTQSLPTDVMTTVFKVGAKT
DKGWSFLLGKYISIGSEAEKNKILEALASSEDVRKLYWLMKSSLNGDNFR
TQKLSFIIRTVGRHFPGHLLAWDFVKENWNKLVQKFPLGSYTIQNIVAGS
TYLFSTKTHLSEVQAFFENQSEATFRLRCVQEALEVIQLNIQWMEKNLKS
LTWWLRT
Ligand information
Ligand IDUKG
InChIInChI=1S/C11H7BrClN5O2S2/c12-8-5-9(21-10(8)13)22(19,20)16-7-3-1-2-6(4-7)11-14-17-18-15-11/h1-5,16H,(H,14,15,17,18)
InChIKeyLKCZAUKSYHEDJR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Clc1sc(cc1Br)[S](=O)(=O)Nc2cccc(c2)c3[nH]nnn3
OpenEye OEToolkits 2.0.7c1cc(cc(c1)NS(=O)(=O)c2cc(c(s2)Cl)Br)c3[nH]nnn3
FormulaC11 H7 Br Cl N5 O2 S2
Name4-bromanyl-5-chloranyl-~{N}-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide
ChEMBL
DrugBank
ZINC
PDB chain8cgp Chain A Residue 1106 [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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PDB8cgp Mechanisms of Allosteric Inhibition of Insulin-Regulated Aminopeptidase.
Resolution2.62 Å
Binding residue
(original residue number in PDB)		K460 I461 H464 E494 Y495 F544 D545 Y549 Y961
Binding residue
(residue number reindexed from 1)		K300 I301 H304 E334 Y335 F384 D385 Y389 Y791
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.11.3: cystinyl aminopeptidase.
Gene Ontology
Molecular Function
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8cgp, PDBe:8cgp, PDBj:8cgp
PDBsum8cgp
PubMed38244767
UniProtQ9UIQ6|LCAP_HUMAN Leucyl-cystinyl aminopeptidase (Gene Name=LNPEP)

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