Structure of PDB 5lt9 Chain A Binding Site BS01

Receptor Information

>5lt9 Chain A (length=234) Species: 287 (Pseudomonas aeruginosa)

REDLEDYLHEMGEITASNVQNWLSGRILLIENLAQTLARDHSPETTQALL
EQPLLGSTFLFTYLGQTDGTYTARPTSDLPADYDPRRRPWYNAATSAGQT
TLTEPYMEPAIHELVLTIASPARQGGQPFGVVGGDLSLQTVVKIINSLDF
GGMGYAFLVSGDGKILVHPDKDQVMKSLSDVYPRNTPKIGSGFSEAELHG
NTRILSFSPVKGLSGLDWYIGISVDKDKAYAMLT

Ligand information

• Ligand ID: ARG
• InChI: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
• InChIKey: ODKSFYDXXFIFQN-BYPYZUCNSA-O
• SMILES:
  OpenEye OEToolkits 1.5.0: C(CC(C(=O)O)N)CNC(=[NH2+])N
  CACTVS 3.341: N[C@@H](CCCNC(N)=[NH2+])C(O)=O
  OpenEye OEToolkits 1.5.0: C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
  CACTVS 3.341: N[CH](CCCNC(N)=[NH2+])C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CCCN\C(=[NH2+])N
• Formula: C6 H15 N4 O2
• Name: ARGININE
• PDB chain: 5lt9 Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5lt9 Purification, crystallization and preliminary crystallographic analysis of the ligand-binding regions of the PctA and PctB chemoreceptors from Pseudomonas aeruginosa in complex with amino acids.
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): F99 Y101 Y109 A111 S115 L117 Y121 R126 W128 Y144 E146 P147 D173
• Binding residue (residue number reindexed from 1): F61 Y63 Y71 A73 S77 L79 Y83 R88 W90 Y106 E108 P109 D135
• Annotation score: 4
• Binding affinity: PDBbind-CN: -logKd/Ki=4.19,Kd=64uM

External links

• PDB: RCSB:5lt9, PDBe:5lt9, PDBj:5lt9
• PDBsum: 5lt9
• UniProt: Q9HW91|PCTB_PSEAE Methyl-accepting chemotaxis protein PctB (Gene Name=pctB)