Structure of PDB 2xb2 Chain A Binding Site BS04

Receptor Information
>2xb2 Chain A (length=390) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DMTKVEFETSEEVDVTPTFDTMGLREDLLRGIYAYGFEKPSAIQQRAIKQ
IIKGRDVIAQSQSGTGKTATFSISVLQCLDIQVRETQALILAPTRELAVQ
IQKGLLALGDYMNVQCHACIGGTNVGEDIRKLDYGQHVVAGTPGRVFDMI
RRRSLRTRAIKMLVLDEADEMLNKGFKEQIYDVYRYLPPATQVVLISATL
PHEILEMTNKFMTDPIRILVKRDELTLEGIKQFFVAVEREEWKFDTLCDL
YDTLTITQAVIFCNTKRKVDWLTEKMREANFTVSSMHGDMPQKERESIMK
EFRSGASRVLISTDVWARGLDVPQVSLIINYDLPNNRELYIHRIGRSGRY
GRKGVAINFVKNDDIRILRDIEQYYSTQIDEMPMNVADLI
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain2xb2 Chain A Residue 1413 [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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PDB2xb2 Insights Into the Recruitment of the Nmd Machinery from the Crystal Structure of a Core Ejc-Upf3B Complex.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		F58 K60 Q65 G85 G87 K88 T89 A90 G340 D342 R367 R370 Y371
Binding residue
(residue number reindexed from 1)		F37 K39 Q44 G64 G66 K67 T68 A69 G319 D321 R346 R349 Y350
Annotation score3
Enzymatic activity
Enzyme Commision number 3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003723 RNA binding
GO:0003724 RNA helicase activity
GO:0003729 mRNA binding
GO:0004386 helicase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008143 poly(A) binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0035368 selenocysteine insertion sequence binding
GO:0035613 RNA stem-loop binding
GO:0043021 ribonucleoprotein complex binding
Biological Process
GO:0000184 nuclear-transcribed mRNA catabolic process, nonsense-mediated decay
GO:0000398 mRNA splicing, via spliceosome
GO:0006364 rRNA processing
GO:0006397 mRNA processing
GO:0006406 mRNA export from nucleus
GO:0006417 regulation of translation
GO:0008306 associative learning
GO:0008380 RNA splicing
GO:0010629 negative regulation of gene expression
GO:0014070 response to organic cyclic compound
GO:0017148 negative regulation of translation
GO:0035640 exploration behavior
GO:0045727 positive regulation of translation
GO:0048701 embryonic cranial skeleton morphogenesis
GO:0051028 mRNA transport
GO:0072715 cellular response to selenite ion
GO:0090394 negative regulation of excitatory postsynaptic potential
GO:0099578 regulation of translation at postsynapse, modulating synaptic transmission
GO:1904570 negative regulation of selenocysteine incorporation
GO:1990416 cellular response to brain-derived neurotrophic factor stimulus
GO:2000622 regulation of nuclear-transcribed mRNA catabolic process, nonsense-mediated decay
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005681 spliceosomal complex
GO:0005730 nucleolus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016020 membrane
GO:0016607 nuclear speck
GO:0030425 dendrite
GO:0035145 exon-exon junction complex
GO:0043025 neuronal cell body
GO:0071006 U2-type catalytic step 1 spliceosome
GO:0071013 catalytic step 2 spliceosome
GO:0098794 postsynapse
GO:0098978 glutamatergic synapse
GO:1990904 ribonucleoprotein complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2xb2, PDBe:2xb2, PDBj:2xb2
PDBsum2xb2
PubMed20479275
UniProtP38919|IF4A3_HUMAN Eukaryotic initiation factor 4A-III (Gene Name=EIF4A3)

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