Structure of PDB 3iel Chain B Binding Site BS01

Receptor Information
>3iel Chain B (length=431) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRIVPFGAAREVTGSAHLLLAGGRRVLLDCGMFQGKEEARNHAPFGFDPK
EVDAVLLTHAHLDHVGRLPKLFREGYRGPVYATRATVLLMEIVLEDALKV
MDEPFFGPEDVEEALGHLRPLEYGEWLRLGALSLAFGQAGHLPGSAFVVA
QGEGRTLVYSGDLGNREKDVLPDPSLPPLADLVLAEGTYGDRPHRPYRET
VREFLEILEKTLSQGGKVLIPTFAVERAQEILYVLYTHGHRLPRAPIYLD
SPMAGRVLSLYPRLVRYFSEEVQAHFLQGKNPFRPAGLEVVEHTEASKAL
NRAPGPMVVLAGSGMLAGGRILHHLKHGLSDPRNALVFVGYQPQGGLGAE
IIARPPAVRILGEEVPLRASVHTLGGFSGHAGQDELLDWLQGEPRVVLVH
GEEEKLLALGKLLALRGQEVSLARFGEGVPV
Ligand information
Ligand IDU5P
InChIInChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyDJJCXFVJDGTHFX-XVFCMESISA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
FormulaC9 H13 N2 O9 P
NameURIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL214393
DrugBankDB03685
ZINCZINC000002123545
PDB chain3iel Chain B Residue 456 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3iel Crystal Structure of TTHA0252 from Thermus thermophilus HB8 complexed with UMP
Resolution2.35 Å
Binding residue
(original residue number in PDB)		V12 T188 Y189 F223 R227 G340 Y341 S378
Binding residue
(residue number reindexed from 1)		V12 T188 Y189 F223 R227 G340 Y341 S378
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0004519 endonuclease activity
GO:0004521 RNA endonuclease activity
GO:0046872 metal ion binding
Biological Process
GO:0006364 rRNA processing
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3iel, PDBe:3iel, PDBj:3iel
PDBsum3iel
PubMed
UniProtQ5SLP1|RNSE_THET8 Ribonuclease TTHA0252 (Gene Name=TTHA0252)

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