Structure of PDB 2q2a Chain B Binding Site BS01

Receptor Information

>2q2a Chain B (length=241) Species: 1422 (Geobacillus stearothermophilus)

SSGGDGGATKKKVVVGTDAAFAPFEYMQKGKIVGFDVDLLDAVMKAAGLD
YELKNIGWDPLFASLQSKEVDMGISGITITDERKQSYDFSDPYFEATQVI
LVKQGSPVKNALDLKGKTIGVQNATTGQEAAEKLFGKGPHIKKFETTVVA
IMELLNGGVDAVITDNAVANEYVKNNPNKKLQVIEDPKNFASEYYGMIFP
KNSELKAKVDEALKNVINSGKYTEIYKKWFGKEPKLDRLKQ

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: 2q2a Chain B Residue 903

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2q2a 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): D28 F31 W68 S85 G86 I87 T88 R93 Q132 T135 T136 D175
• Binding residue (residue number reindexed from 1): D18 F21 W58 S75 G76 I77 T78 R83 Q122 T125 T126 D165
• Annotation score: 4
• Binding affinity: MOAD: Kd=0.039uM

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:2q2a, PDBe:2q2a, PDBj:2q2a
• PDBsum: 2q2a
• PubMed: 18022195
• UniProt: D0VWX8