Structure of PDB 4k17 Chain C Binding Site BS01

Receptor Information
>4k17 Chain C (length=656) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPRELMESIKDVIGRKIKISVKKKVKLEVKGDRVENKVLVLTSCRAFLLS
ARIPSKLELTFSYLEIHGVICHKPAQMVVETEKCNMSMKMVSPEDVSEVL
AHIGTCLRRIFPGLSPLRIMKKVSMEPSERLASLQALWDSQTLAEPGPCG
GFSQMYACVCDWLGFSYKEEVQWDVDTIYLTQDTRELNLQDFSHLEHRDL
IPIIAALEYNQWFTKLSSKDLKLSTDVCEQILRVVSRSNRLEELVLENAG
LRIDFAQKLAGALAHNPNSGLHTINLAGNSLEDRGVSSLSIQFAKLPKGL
KHLNLSKTSLSPKGVNSLCQSLSANPLTASTLTHLDLSGNALRGDDLSHM
YNFLAQPNTIVHLDLSNTECSLEMVCSALLRGCLQCLAVLNLSRSVFSHR
KGKEVPPSFKQFFSSSLALIQINLSGTKLSPEPLKALLLGLACNHSLKGV
SLDLSNCELGHCLRSGGAQVLEIHNITSLDISDNGLESDLSTLIVWLSKN
RSIQHLALGKNFNNMKSKNLTPVLDNLVQMIQDEDSPLQSLSLADSKLKA
EVTIIINALGSNTSLTKVDISGNGMGDMGAKMLAKALQINTKLRTVIWDK
NNITAQGFQDIAVAMEKNYTLRFMPIPMYDAAQALKTNPEKTEEALQKIE
NYLLRN
Ligand information
Ligand IDABU
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKeyBTCSSZJGUNDROE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NCCCC(O)=O
ACDLabs 12.01O=C(O)CCCN
OpenEye OEToolkits 1.7.0C(CC(=O)O)CN
FormulaC4 H9 N O2
NameGAMMA-AMINO-BUTANOIC ACID;
GAMMA(AMINO)-BUTYRIC ACID
ChEMBLCHEMBL96
DrugBankDB02530
ZINCZINC000001532620
PDB chain4k17 Chain C Residue 701 [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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PDB4k17 CARMIL leading edge localization depends on a non-canonical PH domain and dimerization.
Resolution2.895 Å
Binding residue
(original residue number in PDB)		N282 H309
Binding residue
(residue number reindexed from 1)		N275 H302
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4k17, PDBe:4k17, PDBj:4k17
PDBsum4k17
PubMed24071777
UniProtQ6EDY6|CARL1_MOUSE F-actin-uncapping protein LRRC16A (Gene Name=Carmil1)

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