Structure of PDB 4w8x Chain A Binding Site BS01

Receptor Information
>4w8x Chain A (length=329) Species: 186497 (Pyrococcus furiosus DSM 3638) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFIEEFEIESITSTHLLEVLTREYPEVRSPSIKGAMRWWFRALAGSYFGD
DAQKLKEIENQVFGSTKERSRVKISVTPLSSPKRLNLKEFKDKNVGYIWF
SINLLGKRGTITHYYPPGSRFRVVLESPSERVIKLATLSLWALVSLGSVG
FRSRRGTGSMKIVRASSEVLEDLGLTTEFNSIDEFKDSLKRVLDVTGEIL
GVSLPSYATLKFSDVEVFGPGKNTWEVLAQFNNSYKEYLRRRIKKYQRII
FGLPRFKLRGVRKDLRRASPLWFGVVEIGGKPYGRIIKFFQSTFHPEVRS
KHIVDWNVLSNFDWFISSRLPVTKVWGGW
Ligand information
Ligand ID3GP
InChIInChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyZDPUTNZENXVHJC-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O[P](O)(O)=O)[CH]3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@@H](O[P](O)(O)=O)[C@H]3O
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3O)CO
FormulaC10 H14 N5 O8 P
NameGUANOSINE-3'-MONOPHOSPHATE
ChEMBL
DrugBankDB03315
ZINCZINC000004807333
PDB chain4w8x Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4w8x Structural Model of a CRISPR RNA-Silencing Complex Reveals the RNA-Target Cleavage Activity in Cmr4.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		P30 W38 W39 S153 R154 W279
Binding residue
(residue number reindexed from 1)		P30 W38 W39 S153 R154 W272
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0051607 defense response to virus
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:4w8x, PDBe:4w8x, PDBj:4w8x
PDBsum4w8x
PubMed25280103
UniProtQ8U1S5|CMR1A_PYRFU CRISPR system Cmr subunit Cmr1-1 (Gene Name=cmr1-1)

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