Structure of PDB 3k4u Chain F Binding Site BS01

Receptor Information

>3k4u Chain F (length=233) Species: 844 (Wolinella succinogenes)

LRGELRVGLEPGYLPFEMKDKKGNVIGFDVDLAREMAKAMGVKLKLVPTS
WDGLIPGLVTEKFDIIISGMTISQERNLRVNFVEPYIVVGQSLLVKKGLE
KGVKSYKDLDKPELTLVTKFGVSAEYAAKRLFKNAKLKTYDTEAEAVQEV
LNGKADMFIFDLPFNVAFMAQKGQGYLVHLDTSLTYEPLGWAIKKGDPDF
LNWLNHFLAQIKHDGSYDELYERWFVDTKWLEK

Ligand information

• Ligand ID: LYS
• InChI: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1
• InChIKey: KDXKERNSBIXSRK-YFKPBYRVSA-O
• SMILES:
  CACTVS 3.341: N[CH](CCCC[NH3+])C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CCCC[NH3+]
  OpenEye OEToolkits 1.5.0: C(CC[NH3+])C[C@@H](C(=O)O)N
  CACTVS 3.341: N[C@@H](CCCC[NH3+])C(O)=O
  OpenEye OEToolkits 1.5.0: C(CC[NH3+])CC(C(=O)O)N
• Formula: C6 H15 N2 O2
• Name: LYSINE
• PDB chain: 3k4u Chain F Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3k4u CRYSTAL STRUCTURE OF putative binding component of ABC transporter from Wolinella succinogenes DSM 1740 complexed with lysine
• Resolution: 2.62 Å
• Binding residue (original residue number in PDB): E10 Y13 W51 G69 M70 T71 R76 K119 V122 S123 E143 D161
• Binding residue (residue number reindexed from 1): E10 Y13 W51 G69 M70 T71 R76 K119 V122 S123 E143 D161
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0015276 ligand-gated monoatomic ion channel activity

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:3k4u, PDBe:3k4u, PDBj:3k4u
• PDBsum: 3k4u
• UniProt: Q7MAG0