Structure of PDB 6a46 Chain B Binding Site BS01

Receptor Information
>6a46 Chain B (length=213) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPPRAETFVFLDLEATGLPNMDPEIAEISLFAVHRSSLENPERDDSLVLP
RVLDKLTLCMCPERPFTAKASEITGLSSESLMHCGKAGFNGAVVRTLQGF
LSRQEGPICLVAHNGFDYDFPLLCTELQRLGAHLPQDTVCLDTLPALRGL
DRAHRKSYSLASLFHRYFQAEPSAAHSAEGDVHTLLLIFLHRAPELLAWA
DEQARSWAHIEPM
Ligand information
Ligand IDDCM
InChIInChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKeyNCMVOABPESMRCP-SHYZEUOFSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
ACDLabs 10.04O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=O)(O)O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
FormulaC9 H14 N3 O7 P
Name2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL374699
DrugBankDB03798
ZINCZINC000003861759
PDB chain6a46 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6a46 Structural insights into the duplex DNA processing of TREX2
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D14 E16 A17 G19 L20 K73 Y122
Binding residue
(residue number reindexed from 1)		D12 E14 A15 G17 L18 K69 Y118
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.11.2: exodeoxyribonuclease III.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003676 nucleic acid binding
GO:0004527 exonuclease activity
GO:0008296 3'-5'-DNA exonuclease activity
GO:0008311 double-stranded DNA 3'-5' DNA exonuclease activity
GO:0008408 3'-5' exonuclease activity
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
Biological Process
GO:0006259 DNA metabolic process
GO:0006281 DNA repair
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6a46, PDBe:6a46, PDBj:6a46
PDBsum6a46
PubMed30357414
UniProtQ9R1A9|TREX2_MOUSE Three prime repair exonuclease 2 (Gene Name=Trex2)

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