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Structure of PDB 7su8 Chain A Binding Site BS02

Receptor Information >7su8 Chain A (length=117) Species: 632 (Yersinia pestis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] AMDIVFIEELSVITTIGVDWEQTIQQKLVFDIEMGWDNRKAAGSDDVNDC LSYADISEAVIQHVGSQRFALVERVAEEVAELLLRRFNSPWVRIKVSKPG AVAQAKNVGVIIERGQR

Ligand information Ligand ID PH2 InChI InChI=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) InChIKey CQQNNQTXUGLUEV-UHFFFAOYSA-N SMILES Software SMILES CACTVS 3.341 NC1=NC2=C(N=C(CO)CN2)C(=O)N1 ACDLabs 10.04 O=C1NC(=NC=2NCC(=NC1=2)CO)N OpenEye OEToolkits 1.5.0 C1C(=NC2=C(N1)N=C(NC2=O)N)CO Formula C7 H9 N5 O2 Name 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE ChEMBL CHEMBL1233322 DrugBank DB02119 ZINC PDB chain 7su8 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 7su8 DIHYDRONEOPTERIN ALDOLASE (DHNA) FROM YERSINIA PESTIS with alkylated Cys50 CO-CRYSTALLIZED with 7,8-dihydroneopterin Resolution 2.65 Å Binding residue (original residue number in PDB) V72 E73 K98 Binding residue (residue number reindexed from 1) V72 E73 K98 Annotation score 5

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:0006760	folic acid-containing compound metabolic process
GO:0046654	tetrahydrofolate biosynthetic process
GO:0046656	folic acid biosynthetic process

	Cellular Component
GO:0005737	cytoplasm

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