Structure of PDB 7alq Chain A Binding Site BS03

Receptor Information
>7alq Chain A (length=192) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRSEEDNELNLPNLAAAYSSILSSLGENPQRQGLLKTPWRAASAMQFFTK
GYQETISDVLNDAIFDEDHDEMVIVKDIDMFSMCEHHLVPFVGKVHIGYL
PNKQVLGLSKLARIVEIYSRRLQVQERLTKQIAVAITEALRPAGVGVVVE
ATHMCMVMRGVQKMNSKTVTSTMLGVFREDPKTREEFLTLIR
Ligand information
Ligand IDHBI
InChIInChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1
InChIKeyFEMXZDUTFRTWPE-DZSWIPIPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(C1=NC2=C(NC1)N=C(NC2=O)N)O)O
OpenEye OEToolkits 1.5.0C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O
CACTVS 3.341C[C@H](O)[C@H](O)C1=NC2=C(NC1)N=C(N)NC2=O
ACDLabs 10.04O=C1NC(=NC=2NCC(=NC1=2)C(O)C(O)C)N
CACTVS 3.341C[CH](O)[CH](O)C1=NC2=C(NC1)N=C(N)NC2=O
FormulaC9 H13 N5 O3
Name7,8-DIHYDROBIOPTERIN
ChEMBL
DrugBankDB04400
ZINCZINC000018181336
PDB chain7alq Chain A Residue 303 [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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PDB7alq Biophysical and structural investigation of the regulation of human GTP cyclohydrolase I by its regulatory protein GFRP.
Resolution2.205 Å
Binding residue
(original residue number in PDB)		D127 L157 V233 T240 E243
Binding residue
(residue number reindexed from 1)		D70 L100 V176 T183 E186
Annotation score2
Enzymatic activity
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

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Molecular Function
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Biological Process
External links
PDB RCSB:7alq, PDBe:7alq, PDBj:7alq
PDBsum7alq
PubMed33387654
UniProtP30793|GCH1_HUMAN GTP cyclohydrolase 1 (Gene Name=GCH1)

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