Structure of PDB 4aca Chain C Binding Site BS04

Receptor Information
>4aca Chain C (length=471) Species: 39152 (Methanococcus maripaludis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPHMDFKNINLGIFGHIDHGKTTLSKVLTEIASTSAHDKLPESQKRGITI
DIGFSAFKLENYRITLVDAPGHADLIRAVVSAADIIDLALIVVDAKEGPK
TQTGEHMLILDHFNIPIIVVITKSDNAGTEEIKRTEMIMKSILQSTHNLK
NSSIIPISAKTGFGVDELKNLIITTLNNAEIIRNTESYFKMPLDHAFPIK
GAGTVVTGTINKGIVKVGDELKVLPINMSTKVRSIQYFKESVMEAKAGDR
VGMAIQGVDAKQIYRGCILTSKDTKLQTVDKIVAKIKISDIFKYNLTPKM
KVHLNVGMLIVPAVAVPFKKVTFGKTEENIILNEVISGNECYCAFELEEK
VLAEVGDRVLITRLDLPPTTLRICGHGLIEEFKPIKDLNIKKEVLREGKV
KIDKGRTVIDGLAQSKVAAEKLIGEEISIEGKDIVGKIKGTFGTKGLLTA
EFSGNVENRDKVILNRLRRWG
Ligand information
Ligand IDDXC
InChIInChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChIKeyKXGVEGMKQFWNSR-LLQZFEROSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C
OpenEye OEToolkits 1.5.0C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
OpenEye OEToolkits 1.5.0CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
CACTVS 3.341C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
ACDLabs 10.04O=C(O)CCC(C4CCC3C2C(C1(C)CCC(O)CC1CC2)CC(O)C34C)C
FormulaC24 H40 O4
Name(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID;
DEOXYCHOLIC ACID
ChEMBLCHEMBL406393
DrugBankDB03619
ZINCZINC000003914810
PDB chain4aca Chain C Residue 1478 [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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PDB4aca Selenocysteine tRNA-Specific Elongation Factor Selb is a Structural Chimaera of Elongation and Initiation Factors.
Resolution3.15 Å
Binding residue
(original residue number in PDB)		S121 D122 T158 F160
Binding residue
(residue number reindexed from 1)		S124 D125 T161 F163
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D15 K18 T19 T46 H69
Catalytic site (residue number reindexed from 1) D18 K21 T22 T49 H72
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003746 translation elongation factor activity
GO:0003924 GTPase activity
GO:0005525 GTP binding
GO:0046872 metal ion binding
Biological Process
GO:0001514 selenocysteine incorporation
GO:0006414 translational elongation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4aca, PDBe:4aca, PDBj:4aca
PDBsum4aca
PubMed15616587
UniProtQ8J307

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