Structure of PDB 6ya3 Chain A Binding Site BS01

Receptor Information

>6ya3 Chain A (length=331) Species: 1313 (Streptococcus pneumoniae)

SSHHHHHHMSGENLYFQGASAAIVTDTGGVDDKSFNQSAWEGLQAWGKEH
NLSKDNGFTYFQSTSEADYANNLQQAAGSYNLIFGVGFALNNAVKDAAKE
HTDLNYVLIDDVIKDQKNVASVTFADNESGYLAGVAAAKTTKTKQVGFVG
GIESEVISRFEAGFKAGVASVDPSIKVQVDYAGSFGDAAKGKTIAAAQYA
AGADIVYQVAGGTGAGVFAEAKSLNESRPENEKVWVIGVDRDQEAEGKYT
SKDGKESNFVLVSTLKQVGTTVKDISNKAERGEFPGGQVIVYSLKDKGVD
LAVTNLSEEGKKAVEDAKAKILDGSVKVPEK

Ligand information

• Ligand ID: GMP
• InChI: InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
• InChIKey: NYHBQMYGNKIUIF-UUOKFMHZSA-N
• SMILES:
  OpenEye OEToolkits 1.7.5: c1nc2c(n1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N
  CACTVS 3.385: NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
  ACDLabs 10.04: O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)CO
  OpenEye OEToolkits 1.7.5: c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N
  CACTVS 3.385: NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O)[CH]3O
• Formula: C10 H13 N5 O5
• Name: GUANOSINE
• ChEMBL: CHEMBL375655
• DrugBank: DB02857
• ZINC: ZINC000001550030
• PDB chain: 6ya3 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ya3 Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
• Resolution: 2.28 Å
• Binding residue (original residue number in PDB): D28 F37 G89 F90 D112 F187 V211 G213 D242 K268
• Binding residue (residue number reindexed from 1): D26 F35 G87 F88 D110 F185 V209 G211 D240 K266
• Annotation score: 4

Gene Ontology

Cellular Component

• GO:0005886 plasma membrane

External links

• PDB: RCSB:6ya3, PDBe:6ya3, PDBj:6ya3
• PDBsum: 6ya3
• PubMed: 33242497
• UniProt: A0A0H2UPF3