Structure of PDB 1b66 Chain A Binding Site BS02

Receptor Information
>1b66 Chain A (length=138) Species: 10117 (Rattus rattus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LRRRARLSRLVSFSASHRLHSPSLSAEENLKVFGKCNNPNGHGHNYKVVV
TIHGEIDPVTGMVMNLTDLKEYMEEAIMKPLDHKNLDLDVPYFADVVSTT
ENVAVYIWENLQRLLPVGALYKVKVYETDNNIVVYKGE
Ligand information
Ligand IDBIO
InChIInChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m1/s1
InChIKeyLHQIJBMDNUYRAM-AWFVSMACSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)O
ACDLabs 10.04O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)C
CACTVS 3.341C[CH](O)[CH](O)c1cnc2N=C(N)NC(=O)c2n1
CACTVS 3.341C[C@@H](O)[C@@H](O)c1cnc2N=C(N)NC(=O)c2n1
OpenEye OEToolkits 1.5.0CC(C(c1cnc2c(n1)C(=O)NC(=N2)N)O)O
FormulaC9 H11 N5 O3
NameBIOPTERIN
ChEMBL
DrugBankDB03886
ZINCZINC000017129255
PDB chain1b66 Chain A Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1b66 Crystallographic and kinetic investigations on the mechanism of 6-pyruvoyl tetrahydropterin synthase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H23 L25 C42 H48 T105 T106 E107 E133
Binding residue
(residue number reindexed from 1)		H17 L19 C36 H42 T99 T100 E101 E127
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H23 C42 H48 H50 D88 H89 E133
Catalytic site (residue number reindexed from 1) H17 C36 H42 H44 D82 H83 E127
Enzyme Commision number 4.2.3.12: 6-pyruvoyltetrahydropterin synthase.
Gene Ontology
Molecular Function
GO:0003874 6-pyruvoyltetrahydropterin synthase activity
GO:0016829 lyase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006729 tetrahydrobiopterin biosynthetic process
Cellular Component
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1b66, PDBe:1b66, PDBj:1b66
PDBsum1b66
PubMed10024455
UniProtP27213|PTPS_RAT 6-pyruvoyl tetrahydrobiopterin synthase (Gene Name=Pts)

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