Structure of PDB 8qjm Chain B Binding Site BS01

Receptor Information
>8qjm Chain B (length=249) Species: 40324 (Stenotrophomonas maltophilia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WGAQGHRLVAEVADARLNPTARAEVDRLLATEPDATLASIAPWADQLRAK
DPGLGRRSAGWHYVNIAEDNCHYEAPKHCRNGNCIVEALKAQSTILGDRS
LTDGERLQALKFVVHLVGDIHQPMHAGYAHDKGGNDFQLQFGNRGTNLHS
LWDSGMLNTRKLDDAGYLPLLQSQRAPKLARQSNPQRDPQTWAEASCRIS
MQAGVYPATRKIGDEYTERYRPLAEAQLRLAGENLAQLLNRVLGARLEH
Ligand information
Ligand IDC5P
InChIInChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyIERHLVCPSMICTF-XVFCMESISA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
ACDLabs 10.04O=C1N=C(N)C=CN1C2OC(C(O)C2O)COP(=O)(O)O
FormulaC9 H14 N3 O8 P
NameCYTIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL307679
DrugBankDB03403
ZINCZINC000003861744
PDB chain8qjm Chain B Residue 301 [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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PDB8qjm Substrate preference, RNA binding and active site versatility of the Stenotrophomonas maltophilia nuclease SmNuc1, explained by a structural study
Resolution1.65 Å
Binding residue
(original residue number in PDB)		W27 D71 R74 H88 D145 H151 D179
Binding residue
(residue number reindexed from 1)		W1 D45 R48 H62 D119 H125 D153
Annotation score4
External links