Structure of PDB 8qjp Chain B Binding Site BS04
Receptor Information
>8qjp Chain B (length=244) Species:
40324
(Stenotrophomonas maltophilia) [
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WGAQGHRLVAEVADARLNPTARAEVDRLLATEPDATLASIAPWADQLRAK
DPGLGRRSAGWHYVNIAEDNCHYEAPKHCRNGNCIVEALKAQSTILGDRS
LTDGERLQALKFVVHLVGDIHQPMHAGYAHDKGGNDFQLQFGNRGTNLHS
LWDSGMLNTRKLDDAGYLPLLQSQRAPKLARQSNPQRDPQTWAEASCRIS
MQAGVYPATRKIGDEYTERYRPLAEAQLRLAGENLAQLLNRVLG
Ligand information
Ligand ID
U5P
InChI
InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKey
DJJCXFVJDGTHFX-XVFCMESISA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O
CACTVS 3.341
O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.341
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
Formula
C9 H13 N2 O9 P
Name
URIDINE-5'-MONOPHOSPHATE
ChEMBL
CHEMBL214393
DrugBank
DB03685
ZINC
ZINC000002123545
PDB chain
8qjp Chain B Residue 406 [
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Receptor-Ligand Complex Structure
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PDB
8qjp
Substrate preference, RNA binding and active site versatility of the Stenotrophomonas maltophilia nuclease SmNuc1, explained by a structural study
Resolution
1.2 Å
Binding residue
(original residue number in PDB)
Y89 K158 N161 H175
Binding residue
(residue number reindexed from 1)
Y63 K132 N135 H149
Annotation score
4
External links
PDB
RCSB:8qjp
,
PDBe:8qjp
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PDBj:8qjp
PDBsum
8qjp
PubMed
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