Structure of PDB 4pya Chain A Binding Site BS01

Receptor Information
>4pya Chain A (length=124) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETVREARAEAFVTMRSETLAMIIDGRHHAGDVFATARIAGIQAAKRTWDL
IPLCHPLMLSKVEVNLQAEPEHNRVRIETLCRLTGKTGVEMEALTAASVA
ALTIYDMCKAVQKDMVIGPVRLLA
Ligand information
Ligand ID2X3
InChIInChI=1S/C10H16N5O14P3/c11-9-13-5-3(6(17)14-9)12-8-10(18)2(27-7(4(10)16)15(5)8)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2,4,7-8,12,16,18H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,17)/t2-,4+,7-,8+,10-/m1/s1
InChIKeyHRBCPXBJAWPPIC-FKPGNCNUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C2(C(C(O1)N3C2NC4=C3N=C(NC4=O)N)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
CACTVS 3.370NC1=NC2=C(N[CH]3N2[CH]4O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C]3(O)[CH]4O)C(=O)N1
CACTVS 3.370NC1=NC2=C(N[C@H]3N2[C@@H]4O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@]3(O)[C@H]4O)C(=O)N1
FormulaC10 H16 N5 O14 P3
Name(8S)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate
ChEMBL
DrugBank
ZINC
PDB chain4pya Chain A Residue 208 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4pya Mechanism of pyranopterin ring formation in molybdenum cofactor biosynthesis.
Resolution1.789 Å
Binding residue
(original residue number in PDB)		L75 C76 H77 L79 G110 M113 E114
Binding residue
(residue number reindexed from 1)		L53 C54 H55 L57 G88 M91 E92
Annotation score4
Enzymatic activity
Enzyme Commision number 4.6.1.17: cyclic pyranopterin monophosphate synthase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016829 lyase activity
GO:0042802 identical protein binding
GO:0061799 cyclic pyranopterin monophosphate synthase activity
Biological Process
GO:0006777 Mo-molybdopterin cofactor biosynthetic process
Cellular Component
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4pya, PDBe:4pya, PDBj:4pya
PDBsum4pya
PubMed25941396
UniProtP0A738|MOAC_ECOLI Cyclic pyranopterin monophosphate synthase (Gene Name=moaC)

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