Structure of PDB 6z80 Chain E Binding Site BS03

Receptor Information
>6z80 Chain E (length=182) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPNLAAAYSSILSSLGENPQRQGLLKTPWRAASAMQFFTKGYQETISDVL
NDAIFDEDHDEMVIVKDIDMFSMCEHHLVPFVGKVHIGYLPNKQVLGLSK
LARIVEIYSRRLQVQERLTKQIAVAITEALRPAGVGVVVEATHMCMVMRG
VQKMNSKTVTSTMLGVFREDPKTREEFLTLIR
Ligand information
Ligand ID8GT
InChIInChI=1S/C10H16N5O15P3/c11-9-13-6-3(7(18)14-9)12-10(19)15(6)8-5(17)4(16)2(28-8)1-27-32(23,24)30-33(25,26)29-31(20,21)22/h2,4-5,8,16-17H,1H2,(H,12,19)(H,23,24)(H,25,26)(H2,20,21,22)(H3,11,13,14,18)/t2-,4-,5-,8-/m1/s1
InChIKeyJCHLKIQZUXYLPW-UMMCILCDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O
CACTVS 3.341NC1=NC2=C(NC(=O)N2[C@@H]3O[C@H](CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O)C(=O)N1
CACTVS 3.341NC1=NC2=C(NC(=O)N2[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)C(=O)N1
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N2C(=O)NC1=C2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O15 P3
Name8-OXO-GUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1230627
DrugBank
ZINCZINC000058650735
PDB chain6z80 Chain D Residue 301 [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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PDB6z80 A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		G164 L165 S166 K167 R170
Binding residue
(residue number reindexed from 1)		G97 L98 S99 K100 R103
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) C141 E142 H143 H144 Q182 H210 C212
Catalytic site (residue number reindexed from 1) C74 E75 H76 H77 Q115 H143 C145
Enzyme Commision number 3.5.4.16: GTP cyclohydrolase I.
Gene Ontology
Molecular Function
GO:0003934 GTP cyclohydrolase I activity
Biological Process
GO:0046654 tetrahydrofolate biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6z80, PDBe:6z80, PDBj:6z80
PDBsum6z80
PubMed33229582
UniProtP30793|GCH1_HUMAN GTP cyclohydrolase 1 (Gene Name=GCH1)

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