Structure of PDB 6caj Chain C Binding Site BS01

Receptor Information
>6caj Chain C (length=318) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSELSERIESFVETLKRGGGPRSSEEMARETLGLLRQIITDHRWSNAGEL
MELIRREGRRMTAAQPSETTVGNMVRRVLKIIREEYGRLHGHYAQLQSNI
IEAINELLVELEGTMENIAAQALEHIHSNEVIMTIGFSRTVEAFLKEAAR
KRKFHVIVAECAPFCQGHEMAVNLSKAGIETTVMTDAAIFAVMSRVNKVI
IGTKTILANGALRAVTGTHTLALAAKHHSTPLIVCAPMFKLSPQFPNEED
SFHKFVAPEEVLPFTEGDILEKVSVHCPVFDYVPPELITLFISNIGGNAP
SYIYRLMSELYHPDDHVL
Ligand information
Ligand IDC7B
InChIInChI=1S/C22H24Cl2N2O4/c23-15-1-9-19(10-2-15)29-13-21(27)25-17-5-7-18(8-6-17)26-22(28)14-30-20-11-3-16(24)4-12-20/h1-4,9-12,17-18H,5-8,13-14H2,(H,25,27)(H,26,28)/t17-,18-
InChIKeyHJGMCDHQPXTGAV-IYARVYRRSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Clc1ccc(OCC(=O)N[C@H]2CC[C@@H](CC2)NC(=O)COc3ccc(Cl)cc3)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1OCC(=O)NC2CCC(CC2)NC(=O)COc3ccc(cc3)Cl)Cl
CACTVS 3.385Clc1ccc(OCC(=O)N[CH]2CC[CH](CC2)NC(=O)COc3ccc(Cl)cc3)cc1
FormulaC22 H24 Cl2 N2 O4
Name2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide;
ISRIB
ChEMBLCHEMBL4303573
DrugBank
ZINC
PDB chain6caj Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6caj Structure of the nucleotide exchange factor eIF2B reveals mechanism of memory-enhancing molecule.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		V164 V225
Binding residue
(residue number reindexed from 1)		V131 V192
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003743 translation initiation factor activity
GO:0005085 guanyl-nucleotide exchange factor activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0005525 GTP binding
Biological Process
GO:0001541 ovarian follicle development
GO:0002183 cytoplasmic translational initiation
GO:0006412 translation
GO:0006413 translational initiation
GO:0006446 regulation of translational initiation
GO:0007417 central nervous system development
GO:0009408 response to heat
GO:0009749 response to glucose
GO:0014003 oligodendrocyte development
GO:0042552 myelination
GO:0043434 response to peptide hormone
GO:0044237 cellular metabolic process
GO:0050852 T cell receptor signaling pathway
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005851 eukaryotic translation initiation factor 2B complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6caj, PDBe:6caj, PDBj:6caj
PDBsum6caj
PubMed29599213
UniProtP49770|EI2BB_HUMAN Translation initiation factor eIF2B subunit beta (Gene Name=EIF2B2)

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