Structure of PDB 1rms Chain A Binding Site BS01

Receptor Information
>1rms Chain A (length=105) Species: 5063 (Aspergillus phoenicis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESCEYTCGSTCYWSSDVSAAKAKGYSLYESGDTIDDYPHEYHDYEGFDFP
VSGTYYEYPIMSDYDVYTGGSPGADRVIFNGDDELAGVITHTGASGDDFV
ACSSS
Ligand information
Ligand ID3GP
InChIInChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(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
InChIKeyZDPUTNZENXVHJC-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O[P](O)(O)=O)[CH]3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@@H](O[P](O)(O)=O)[C@H]3O
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3O)CO
FormulaC10 H14 N5 O8 P
NameGUANOSINE-3'-MONOPHOSPHATE
ChEMBL
DrugBankDB03315
ZINCZINC000004807333
PDB chain1rms Chain A Residue 106 [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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PDB1rms Crystal structure of ribonuclease Ms (as a ribonuclease T1 homologue) complexed with a guanylyl-3',5'-cytidine analogue.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y37 H39 Y41 H42 D43 Y44 E45 E57 R76 H91 D97 F99
Binding residue
(residue number reindexed from 1)		Y37 H39 Y41 H42 D43 Y44 E45 E57 R76 H91 D97 F99
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y37 H39 E57 D75 R76 T90 H91 F99
Catalytic site (residue number reindexed from 1) Y37 H39 E57 D75 R76 T90 H91 F99
Enzyme Commision number 4.6.1.24: ribonuclease T1.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0004519 endonuclease activity
GO:0004521 RNA endonuclease activity
GO:0004540 RNA nuclease activity
GO:0016829 lyase activity
GO:0046589 ribonuclease T1 activity

View graph for
Molecular Function
External links
PDB RCSB:1rms, PDBe:1rms, PDBj:1rms
PDBsum1rms
PubMed8218254
UniProtP00653|RNMS_ASPPH Guanyl-specific ribonuclease Ms

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