Structure of PDB 4k17 Chain B Binding Site BS01

Receptor Information
>4k17 Chain B (length=660) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESSDVPRELMESIKDVIGRKIKISVKKKVKLEVKGDRVENKVLVLTSCRA
FLLSARIPSKLELTFSYLEIHGVICHKPAQMVVETEKCNMSMKMVSPEDV
SEVLAHIGTCLRRIFPGLSPLRIMKKVSMEPSERLASLQALWDSQTLAEP
GPCGGFSQMYACVCDWLGFSYKEEVQWDVDTIYLTQDTRELNLQDFSHLE
HRDLIPIIAALEYNQWFTKLSSKDLKLSTDVCEQILRVVSRSNRLEELVL
ENAGLRIDFAQKLAGALAHNPNSGLHTINLAGNSLEDRGVSSLSIQFAKL
PKGLKHLNLSKTSLSPKGVNSLCQSLSANPLTASTLTHLDLSGNALRGDD
LSHMYNFLAQPNTIVHLDLSNTECSLEMVCSALLRGCLQCLAVLNLSRSV
FSHRKGKEVPPSFKQFFSSSLALIQINLSGTKLSPEPLKALLLGLACNHS
LKGVSLDLSNCELGHCLRSGGAQVLEIHNITSLDISDNGLESDLSTLIVW
LSKNRSIQHLALGKNFNNMKSKNLTPVLDNLVQMIQDEDSPLQSLSLADS
KLKAEVTIIINALGSNTSLTKVDISGNGMGDMGAKMLAKALQINTKLRTV
IWDKNNITAQGFQDIAVAMEKNYTLRFMPIPMYDAAQALKTNPEKTEEAL
QKIENYLLRN
Ligand information
Ligand IDOHB
InChIInChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)
InChIKeySKZKKFZAGNVIMN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(c(c1)C(=O)N)O
CACTVS 3.370NC(=O)c1ccccc1O
ACDLabs 12.01O=C(c1ccccc1O)N
FormulaC7 H7 N O2
Namesalicylamide;
2-hydroxybenzamide
ChEMBLCHEMBL27577
DrugBankDB08797
ZINCZINC000000002055
PDB chain4k17 Chain B 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)		E380 M381 S384
Binding residue
(residue number reindexed from 1)		E377 M378 S381
Annotation score1
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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