Structure of PDB 6i09 Chain A Binding Site BS01

Receptor Information

>6i09 Chain A (length=77) Species: 287 (Pseudomonas aeruginosa)

GLYLQVGAFANPDAAELLKAKLSGVTAAPVFISSVVRNQQILHRVRLGPI
GSADEVSRTQDSIRVANLGQPTLVRPD

Ligand information

• Ligand ID: AMV
• InChI: InChI=1S/C12H21NO8/c1-5(11(17)18)20-10-8(13-6(2)15)12(19-3)21-7(4-14)9(10)16/h5,7-10,12,14,16H,4H2,1-3H3,(H,13,15)(H,17,18)/t5-,7-,8-,9-,10-,12-/m1/s1
• InChIKey: UXEQYDNCHCKBIL-PKKPQKKZSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(C(=O)O)OC1C(C(OC(C1O)CO)OC)NC(=O)C
  OpenEye OEToolkits 1.5.0: C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C
  CACTVS 3.341: CO[CH]1O[CH](CO)[CH](O)[CH](O[CH](C)C(O)=O)[CH]1NC(C)=O
  ACDLabs 10.04: O=C(O)C(OC1C(O)C(OC(OC)C1NC(=O)C)CO)C
  CACTVS 3.341: CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H](C)C(O)=O)[C@H]1NC(C)=O
• Formula: C12 H21 N O8
• Name: methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside;
  METHYL 2-(ACETYLAMINO)-3-O-[(1R)-1-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSIDE;
  methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucoside;
  methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-D-glucoside;
  methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-glucoside
• ZINC: ZINC000058650293
• PDB chain: 6i09 Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6i09 Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
• Resolution: 1.48 Å
• Binding residue (original residue number in PDB): Q270 R302
• Binding residue (residue number reindexed from 1): Q5 R37
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.2.2.-

Gene Ontology

Molecular Function

• GO:0042834 peptidoglycan binding

External links

• PDB: RCSB:6i09, PDBe:6i09, PDBj:6i09
• PDBsum: 6i09
• PubMed: 31804467
• UniProt: Q9X6V6|RLPA_PSEAE Endolytic peptidoglycan transglycosylase RlpA (Gene Name=rlpA)