Structure of PDB 2pvu Chain A Binding Site BS01

Receptor Information

>2pvu Chain A (length=235) Species: 1422 (Geobacillus stearothermophilus)

GATKKKVVVGTDAAFAPFEYMQKGKIVGFDVDLLDAVMKAAGLDYELKNI
GWDPLFASLQSKEVDMGISGITITDERKQSYDFSDPYFEATQVILVKQGS
PVKNALDLKGKTIGVQNATTGQEAAEKLFGKGPHIKKFETTVVAIMELLN
GGVDAVITDNAVANEYVKNNPNKKLQVIEDPKNFASEYYGMIFPKNSELK
AKVDEALKNVINSGKYTEIYKKWFGKEPKLDRLKQ

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: 2pvu Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2pvu Crystal structures and mutational analysis of the arginine-, lysine-, histidine-binding protein ArtJ from Geobacillus stearothermophilus. Implications for interactions of ArtJ with its cognate ATP-binding cassette transporter, Art(MP)2
• Resolution: 1.79 Å
• Binding residue (original residue number in PDB): F31 W68 G86 I87 T88 R93 Q132 T135 T136 D175
• Binding residue (residue number reindexed from 1): F15 W52 G70 I71 T72 R77 Q116 T119 T120 D159
• Annotation score: 4
• Binding affinity: MOAD: Kd=0.49uM
  PDBbind-CN: -logKd/Ki=6.31,Kd=0.49uM

Gene Ontology

Molecular Function

• GO:0015276 ligand-gated monoatomic ion channel activity

Biological Process

• GO:0034220 monoatomic ion transmembrane transport

Cellular Component

• GO:0005886 plasma membrane
• GO:0016020 membrane

External links

• PDB: RCSB:2pvu, PDBe:2pvu, PDBj:2pvu
• PDBsum: 2pvu
• PubMed: 18022195
• UniProt: D0VWX8