Structure of PDB 1j1f Chain A Binding Site BS01

Receptor Information
>1j1f Chain A (length=191) Species: 3673 (Momordica charantia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EFDSFWFVQQWPPAVCSFQKSGSCPGSGLRTFTIHGLWPQQSGTSLTNCP
GSPFDITKISHLQSQLNTLWPTVLRANNQQFWSHEWTKHGTCSESTFNQA
AYFKLAVDMRNNYDIIGALRPHAAGPNGRTKSRQAIKGFLKAKFGKFPGL
RCRTDPQTKVSYLVEVVACFAQDGSTLIDCTRDTCGANFIF
Ligand information
Ligand ID5GP
InChIInChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(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
InChIKeyRQFCJASXJCIDSX-UUOKFMHZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H14 N5 O8 P
NameGUANOSINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL283807
DrugBankDB01972
ZINCZINC000002159505
PDB chain1j1f Chain A Residue 295 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1j1f Crystal Structures of the Ribonuclease MC1 Mutants N71T and N71S in Complex with 5'-GMP: Structural Basis for Alterations in Substrate Specificity
Resolution1.6 Å
Binding residue
(original residue number in PDB)		Q9 H34 T71 V72 L73 R74 F80 H83 E84 K87
Binding residue
(residue number reindexed from 1)		Q10 H35 T72 V73 L74 R75 F81 H84 E85 K88
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H34 W37 S44 E84 K87 H88
Catalytic site (residue number reindexed from 1) H35 W38 S45 E85 K88 H89
Enzyme Commision number 4.6.1.19: ribonuclease T2.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0004519 endonuclease activity
GO:0004521 RNA endonuclease activity
GO:0016829 lyase activity
GO:0033897 ribonuclease T2 activity
Biological Process
GO:0006401 RNA catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1j1f, PDBe:1j1f, PDBj:1j1f
PDBsum1j1f
PubMed12731868
UniProtP23540|RNMC1_MOMCH Ribonuclease MC (Gene Name=MC1)

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