Structure of PDB 1h2u Chain X Binding Site BS02
Receptor Information
>1h2u Chain X (length=149) Species:
9606
(Homo sapiens) [
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GLLKALRSDSYVELSQYRDQHFRGDNEEQEKLLKKSCTLYVGNLSFYTTE
EQIYELFSKSGDIKKIIMGLDKMKKTACGFCFVEYYSRADAENAMRYING
TRLDDRIIRTDWDAGFKEGRQYGRGRSGGQVRDEYRQDYDAGRGGYGKL
Ligand information
Ligand ID
7MG
InChI
InChI=1S/C11H18N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1
InChIKey
ZMWJGXGSWZFZPJ-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
CACTVS 3.341
CN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N
OpenEye OEToolkits 1.5.0
CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)O)O)O
CACTVS 3.341
CN1CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C3=C1C(=O)NC(=N3)N
ACDLabs 10.04
O=C1C=2N(CN(C=2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O)C
Formula
C11 H18 N5 O8 P
Name
7N-METHYL-8-HYDROGUANOSINE-5'-MONOPHOSPHATE
ChEMBL
DrugBank
DB04259
ZINC
ZINC000013543160
PDB chain
1h2u Chain X Residue 1154 [
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Receptor-Ligand Complex Structure
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PDB
1h2u
Large-Scale Induced Fit Recognition of an M(7)Gpppg CAP Analogue by the Human Nuclear CAP-Binding Complex
Resolution
2.4 Å
Binding residue
(original residue number in PDB)
Y20 Y43 F83 D114 R123 G126 R127 Q133 V134
Binding residue
(residue number reindexed from 1)
Y17 Y40 F80 D111 R120 G123 R124 Q130 V131
Annotation score
1
Binding affinity
PDBbind-CN
: -logKd/Ki=7.89,Kd=13nM
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0000339
RNA cap binding
GO:0000340
RNA 7-methylguanosine cap binding
GO:0003676
nucleic acid binding
GO:0003677
DNA binding
GO:0003723
RNA binding
GO:0003729
mRNA binding
GO:0005515
protein binding
GO:0017069
snRNA binding
Biological Process
GO:0000184
nuclear-transcribed mRNA catabolic process, nonsense-mediated decay
GO:0000380
alternative mRNA splicing, via spliceosome
GO:0000398
mRNA splicing, via spliceosome
GO:0002191
cap-dependent translational initiation
GO:0006397
mRNA processing
GO:0006406
mRNA export from nucleus
GO:0006408
snRNA export from nucleus
GO:0006417
regulation of translation
GO:0006446
regulation of translational initiation
GO:0008334
histone mRNA metabolic process
GO:0008380
RNA splicing
GO:0016071
mRNA metabolic process
GO:0031047
regulatory ncRNA-mediated gene silencing
GO:0031053
primary miRNA processing
GO:0031124
mRNA 3'-end processing
GO:0031442
positive regulation of mRNA 3'-end processing
GO:0032968
positive regulation of transcription elongation by RNA polymerase II
GO:0035194
regulatory ncRNA-mediated post-transcriptional gene silencing
GO:0035195
miRNA-mediated post-transcriptional gene silencing
GO:0042789
mRNA transcription by RNA polymerase II
GO:0045292
mRNA cis splicing, via spliceosome
GO:0046833
positive regulation of RNA export from nucleus
GO:0051028
mRNA transport
Cellular Component
GO:0005634
nucleus
GO:0005654
nucleoplasm
GO:0005737
cytoplasm
GO:0005829
cytosol
GO:0005846
nuclear cap binding complex
GO:0034518
RNA cap binding complex
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1h2u
,
PDBe:1h2u
,
PDBj:1h2u
PDBsum
1h2u
PubMed
12374755
UniProt
P52298
|NCBP2_HUMAN Nuclear cap-binding protein subunit 2 (Gene Name=NCBP2)
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