Structure of PDB 2y2x Chain B Binding Site BS08

Receptor Information

>2y2x Chain B (length=378) Species: 208964 (Pseudomonas aeruginosa PAO1)

GFLEDAKTDLVLRNYYFNRDFRDLVDEWAQGFILKFSSGYTPGTVGVGLD
AIGLFGVKLNSGTSNELLPLHDDGRAADNYGRVGVAAKLRVSASELKIGE
MLPDIPLLRYDDGRLLPQTFRGFAVVSRELPGLALQAGRFDAVSLRNSAD
MQDLSAWSAPTQKSDGFNYAGAEYRFNRERTQLGLWHGQLEDVYRQSYAN
LLHKQRVGDWTLGANLGLFVDRDDGAARAGEIDSHTVYGLFSAGIGLHTF
YLGLQKVGGDSGWQSVYGSSGRSMGNDMFNGNFTNADERSWQVRYDYDFV
GLGWPGLIGMVRYGHGSNATTKAGSGGKEWERDVELGYTVQSGPLARLNV
RLNHASNRRSFNSDFDQTRLVVSYPLSW

Ligand information

• Ligand ID: VNL
• InChI: InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1
• InChIKey: WKOLLVMJNQIZCI-UHFFFAOYSA-M
• SMILES:
  ACDLabs 12.01: [O-]C(=O)c1cc(OC)c(O)cc1
  OpenEye OEToolkits 1.7.0: COc1cc(ccc1O)C(=O)[O-]
  CACTVS 3.370: COc1cc(ccc1O)C([O-])=O
• Formula: C8 H7 O4
• Name: 4-HYDROXY-3-METHOXYBENZOATE;
  vanillate
• DrugBank: DB02130
• PDB chain: 2y2x Chain B Residue 1410

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2y2x Pseudomonas Aeruginosa Opdk with Vanillate
• Resolution: 1.65 Å
• Binding residue (original residue number in PDB): H327 K340 E341 W342 R370 R371
• Binding residue (residue number reindexed from 1): H315 K328 E329 W330 R358 R359
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0015288 porin activity

Biological Process

• GO:0055085 transmembrane transport

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:2y2x, PDBe:2y2x, PDBj:2y2x
• PDBsum: 2y2x
• UniProt: Q9HUR5