Structure of PDB 6yx5 Chain B Binding Site BS02

Receptor Information

>6yx5 Chain B (length=339) Species: 446 (Legionella pneumophila)

HMFGSLYSDERDKPLLSPTAQKKFEEYQNKLANLSKIIRENEGNEVSPWQ
EWENGLRQIYKEMIYDAFDALGVEMPKDMEVHFAGSLAKAQATEYSDLDA
FVIVKNDEDIKKVKPVFDALNNLCQRIFTASNQIYPDPIGINPSRLIGTP
DDLFGMLKDGMVADVEATAMSILTSKPVLPRYECGEELRDKIKQEPSFSN
MVSAKKFYNKAIKDFTAPKEGAEVVSVKTHIMRPIDFMLMGLREEFNLYS
EDGAHLSAPGTIRLLREKNLLPEEQIARIESVYNQAMSKRFELHAEHKKE
HDEMPYSDAKAMLDEVAKIRELGVQRVTRIENLENAKKL

Ligand information

• Ligand ID: GLC
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 6yx5 Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6yx5 Rab1-AMPylation by Legionella DrrA is allosterically activated by Rab1.
• Resolution: 2.14 Å
• Binding residue (original residue number in PDB): S99 K102 R246 D249 F250
• Binding residue (residue number reindexed from 1): S86 K89 R233 D236 F237
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.7.108: protein adenylyltransferase.
  2.7.7.n6: guanine phosphate-protein transferase.

External links

• PDB: RCSB:6yx5, PDBe:6yx5, PDBj:6yx5
• PDBsum: 6yx5
• PubMed: 33469029
• UniProt: Q29ST3|DRRA_LEGPN Multifunctional virulence effector protein DrrA (Gene Name=drrA)