Structure of PDB 2hvs Chain B Binding Site BS04

Receptor Information
>2hvs Chain B (length=319) Species: 10665 (Tequatrovirus T4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMFKKYSSLENHYNSKFIEKLYSLGLTGGEWVAREKIHGTNFSLIIERDK
VTCAKRTGPILPAEDFFGYEIILKNYADSIKAVQDIMETSAVVSYQVFGE
FAGPGIQKNVDYGDKDFYVFDIIVTTESGDVTYVDDYMMESFCNTFKFKM
APLLGRGKFEELIKLPNDLDSVVQDYNFTVDHAGLVDANKCVWNAEAKGE
VFTAEGYVLKPCYPSWLRNGNRVAIKCKNSKLSEADNKLVGILACYVTLN
RVNNVISKIGEIGPKDFGKVMGLTVQDILEETSREGITLTQADNPSLIKK
ELVKMVQDVLRPAWIELVS
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain2hvs Chain H Residue 236 [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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PDB2hvs RNA Ligase Structures Reveal the Basis for RNA Specificity and Conformational Changes that Drive Ligation Forward.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		K35 I36 N40 E99 F119 K225
Binding residue
(residue number reindexed from 1)		K36 I37 N41 E100 F120 K226
Annotation score4
Enzymatic activity
Enzyme Commision number 6.5.1.3: RNA ligase (ATP).
Gene Ontology
Molecular Function
GO:0003972 RNA ligase (ATP) activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0042245 RNA repair

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Molecular Function
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Biological Process
External links
PDB RCSB:2hvs, PDBe:2hvs, PDBj:2hvs
PDBsum2hvs
PubMed17018278
UniProtP32277|RLIG2_BPT4 RNA ligase 2 (Gene Name=Y10A)

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