Structure of PDB 3vj7 Chain A Binding Site BS01

Receptor Information
>3vj7 Chain A (length=94) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGLKIDQKIRGQMPEQGWTEDDIKNTVSNGATGTSFDKRSPKKTPPDYLG
RNDPATVYGSPGKYVVVNDRTGEVTQISDKTDPGWVDDSRIQWG
Ligand information
Ligand ID3PD
InChIInChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(5(2-16)21-6)22-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
InChIKeyQQMSZHORHNORLP-KVQBGUIXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3CC(C(O3)CO)OP(=O)(O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O[P](O)(O)=O)[C@@H](CO)O3
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)OP(=O)(O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O[P](O)(O)=O)[CH](CO)O3
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3)CO
FormulaC10 H14 N5 O7 P
Name2-AMINO-9-(2-DEOXY-3-O-PHOSPHONOPENTOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE;
2'-DEOXYGUANOSINE-3'-MONOPHOSPHATE
ChEMBL
DrugBank
ZINCZINC000014963248
PDB chain3vj7 Chain A Residue 1 [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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PDB3vj7 Identification of the catalytic residues of sequence-specific and histidine-free ribonuclease colicin E5
Resolution2.3 Å
Binding residue
(original residue number in PDB)		K25 W102 V103
Binding residue
(residue number reindexed from 1)		K8 W85 V86
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0004540 RNA nuclease activity

View graph for
Molecular Function
External links
PDB RCSB:3vj7, PDBe:3vj7, PDBj:3vj7
PDBsum3vj7
PubMed22815490
UniProtP18000|CEA5_ECOLX Colicin-E5 (Fragment) (Gene Name=col)

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