Structure of PDB 7x0r Chain B Binding Site BS01

Receptor Information

>7x0r Chain B (length=313) Species: 1515 (Acetivibrio thermocellus)

GKKIKIGMVTDVGGVNDGSFNQSAWEGLQRAQKELGVEVRYAESATDADY
APNIEAFIDEGYDLIICVGYMLADATRKAAEANPNQKFAIIDDASIDLPN
VTCLMFEQSQASYLVGLVAGKMTKTNKVGFVVGMVSQTMNEFGYGYLAGV
KDANPNATILQFNANSFSSTETGKSAATTMITNGADVIFHAAGGTGLGVI
EGCKDAGKWAIGVDSDQSPLAPENILTSAMKRVDNACFDIAKAVKEGNVK
PGIITYDLKSAGVDIAPTTTNLPKEVLDYVNQAKQDIINGKITVPKTKAE
FEAKYGNIYELDD

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: 7x0r Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7x0r Deciphering Cellodextrin and Glucose Uptake in Clostridium thermocellum.
• Resolution: 1.47 Å
• Binding residue (original residue number in PDB): D53 G55 F62 G111 Y112 M113 D134 M181 F184 F209 A233 G235 V255 D256 K273
• Binding residue (residue number reindexed from 1): D11 G13 F20 G69 Y70 M71 D92 M139 F142 F167 A191 G193 V213 D214 K231
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

Cellular Component

• GO:0005886 plasma membrane

External links

• PDB: RCSB:7x0r, PDBe:7x0r, PDBj:7x0r
• PDBsum: 7x0r
• PubMed: 36069444
• UniProt: A3DFS3