Structure of PDB 2gsp Chain A Binding Site BS01

Receptor Information
>2gsp Chain A (length=104) Species: 5062 (Aspergillus oryzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ACDYTCGSNCYSSSDVSTAQAAGYKLHEDGETVGSNSYPHKYNNYEGFDF
SVSSPYYEWPILSSGDVYSGGSPGADRVVFNENNQLAGVITHTGASGNNF
VECT
Ligand information
Ligand IDSGP
InChIInChI=1S/C10H12N5O6PS/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)19-9)20-22(18,23)21-6/h2-3,5-6,9,16H,1H2,(H,18,23)(H3,11,13,14,17)/t3-,5-,6-,9-,22+/m1/s1
InChIKeyQZEROIIFJLCOOE-FHIGPPGSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH]4O[P](O)(=S)O[CH]34
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@H]4O[P@](O)(=S)O[C@@H]34
ACDLabs 10.04S=P1(OC2C(OC(C2O1)CO)n3c4N=C(N)NC(=O)c4nc3)O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C4C(C(O3)CO)OP(=S)(O4)O)N=C(NC2=O)N
FormulaC10 H12 N5 O6 P S
NameGUANOSINE-2',3'-CYCLOPHOSPHOROTHIOATE
ChEMBL
DrugBankDB03178
ZINC
PDB chain2gsp Chain A Residue 105 [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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PDB2gsp Hydrolysis of a slow cyclic thiophosphate substrate of RNase T1 analyzed by time-resolved crystallography.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y38 Y42 N43 N44 Y45 E46 E58 R77 H92 F100
Binding residue
(residue number reindexed from 1)		Y38 Y42 N43 N44 Y45 E46 E58 R77 H92 F100
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y38 H40 E58 D76 R77 T91 H92 F100
Catalytic site (residue number reindexed from 1) Y38 H40 E58 D76 R77 T91 H92 F100
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
Biological Process
GO:0008150 biological_process
Cellular Component
GO:0001411 hyphal tip
GO:0030428 cell septum

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2gsp, PDBe:2gsp, PDBj:2gsp
PDBsum2gsp
PubMed9546218
UniProtP00651|RNT1_ASPOR Guanyl-specific ribonuclease T1 (Gene Name=rntA)

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