Structure of PDB 2ogf Chain C Binding Site BS01

Receptor Information
>2ogf Chain C (length=121) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLRVEETEVFKKYFKNLTDRERAVFEGGITLGALFHQFVGTPVSKYNKES
LERAIEEAMKNQPCVYDIKVKIRNVGEKYVSLDGKMLDVDLKIKINKTVA
HLKLEYIPEIDYPLMYVKKFE
Ligand information
Ligand IDOXG
InChIInChI=1S/C5H3N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H3,6,8,9,10,11,12)
InChIKeyUBKVUFQGVWHZIR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=NC2=NC(=O)N=C2C(=O)N1
ACDLabs 10.04O=C1C2=NC(=O)N=C2N=C(N1)N
OpenEye OEToolkits 1.5.0C12=NC(=O)N=C1N=C(NC2=O)N
FormulaC5 H3 N5 O2
Name8-OXOGUANINE
ChEMBL
DrugBank
ZINC
PDB chain2ogf Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ogf Crystal structure of hypothetical protein MJ0408 from Methanococcus jannaschii
Resolution1.89 Å
Binding residue
(original residue number in PDB)		Y111 P112 M114
Binding residue
(residue number reindexed from 1)		Y112 P113 M115
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.2.25: dihydroneopterin aldolase.
Gene Ontology
Molecular Function
GO:0004150 dihydroneopterin aldolase activity
GO:0016829 lyase activity
Biological Process
GO:2001118 tetrahydromethanopterin biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2ogf, PDBe:2ogf, PDBj:2ogf
PDBsum2ogf
PubMed
UniProtQ57851|MPTD_METJA Dihydroneopterin aldolase (Gene Name=mptD)

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