Structure of PDB 7lc7 Chain A Binding Site BS02

Receptor Information
>7lc7 Chain A (length=178) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTVLIHVCCAPDLLTTIFHVRDAEFFFYNPNIQPLSEYEKRREAVDKVAN
HFSLNVRYGEYSTEEIRKWYTAVKDYKLGEGSKRCERCISFLLERTAQEA
RKRGHESFSTTLLASPRKNLPMIENIGKTIEEKYGVKFFFKNFRKGGAYQ
EGVRLSKELGIYRQNYCGCVFSLLERRE
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 chain7lc7 Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7lc7 The epoxyqueuosine reductase QueH in the biosynthesis of tRNA queuosine is a unique metalloenzyme
Resolution1.58 Å
Binding residue
(original residue number in PDB)		P12 D13 S117 K120 R165 Q166 N167 Y168 C169
Binding residue
(residue number reindexed from 1)		P11 D12 S115 K118 R163 Q164 N165 Y166 C167
Annotation score1
Enzymatic activity
Enzyme Commision number 1.17.99.6: epoxyqueuosine reductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
GO:0052693 epoxyqueuosine reductase activity
Biological Process
GO:0006400 tRNA modification
GO:0008033 tRNA processing
GO:0008616 queuosine biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7lc7, PDBe:7lc7, PDBj:7lc7
PDBsum7lc7
PubMed
UniProtQ9WZJ0|QUEH_THEMA Epoxyqueuosine reductase QueH (Gene Name=queH)

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