Structure of PDB 7su7 Chain C Binding Site BS01

Receptor Information
>7su7 Chain C (length=118) Species: 632 (Yersinia pestis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMDIVFIEELSVITTIGVYDWEQTIQQKLVFDIEMGWDNRKAAGSDDVND
CLSYADISEAVIQHVGSQRFALVERVAEEVAELLLRRFNSPWVRIKVSKP
GAVAQAKNVGVIIERGQR
Ligand information
Ligand IDPH2
InChIInChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h13H,1-2H2,(H4,8,9,11,12,14)
InChIKeyCQQNNQTXUGLUEV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=NC2=C(N=C(CO)CN2)C(=O)N1
ACDLabs 10.04O=C1NC(=NC=2NCC(=NC1=2)CO)N
OpenEye OEToolkits 1.5.0C1C(=NC2=C(N1)N=C(NC2=O)N)CO
FormulaC7 H9 N5 O2
Name2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE
ChEMBLCHEMBL1233322
DrugBankDB02119
ZINC
PDB chain7su7 Chain C Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7su7 Dihydroneopterin aldolase (DHNA) from Yersinia pestis co-crystallized with product
Resolution2.09 Å
Binding residue
(original residue number in PDB)		G16 V17 E21 L71 V72 E73
Binding residue
(residue number reindexed from 1)		G17 V18 E22 L72 V73 E74
Annotation score5
Enzymatic activity
Enzyme Commision number 4.1.2.25: dihydroneopterin aldolase.
Gene Ontology
Molecular Function
GO:0004150 dihydroneopterin aldolase activity
GO:0016301 kinase activity
GO:0016829 lyase activity
Biological Process
GO:0006760 folic acid-containing compound metabolic process
GO:0016310 phosphorylation
GO:0046654 tetrahydrofolate biosynthetic process
GO:0046656 folic acid biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7su7, PDBe:7su7, PDBj:7su7
PDBsum7su7
PubMed
UniProtQ8CZR7

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