Structure of PDB 2q2c Chain B Binding Site BS01

Receptor Information

>2q2c Chain B (length=231) Species: 1422 (Geobacillus stearothermophilus)

KKVVVGTDAAFAPFEYMQKGKIVGFDVDLLDAVMKAAGLDYELKNIGWDP
LFASLQSKEVDMGISGITITDERKQSYDFSDPYFEATQVILVKQGSPVKN
ALDLKGKTIGVQNATTGQEAAEKLFGKGPHIKKFETTVVAIMELLNGGVD
AVITDNAVANEYVKNNPNKKLQVIEDPKNFASEYYGMIFPKNSELKAKVD
EALKNVINSGKYTEIYKKWFGKEPKLDRLKQ

Ligand information

• Ligand ID: HIS
• InChI: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1
• InChIKey: HNDVDQJCIGZPNO-YFKPBYRVSA-O
• SMILES:
  OpenEye OEToolkits 1.5.0: c1c([nH+]c[nH]1)CC(C(=O)O)N
  CACTVS 3.341: N[CH](Cc1c[nH]c[nH+]1)C(O)=O
  CACTVS 3.341: N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O
  ACDLabs 10.04: O=C(O)C(N)Cc1cnc[nH+]1
  OpenEye OEToolkits 1.5.0: c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N
• Formula: C6 H10 N3 O2
• Name: HISTIDINE
• PDB chain: 2q2c Chain B Residue 506

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2q2c 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: 2.35 Å
• Binding residue (original residue number in PDB): F31 W68 S85 G86 I87 T88 R93 Q132 T135 T136 D175
• Binding residue (residue number reindexed from 1): F11 W48 S65 G66 I67 T68 R73 Q112 T115 T116 D155
• Annotation score: 4
• Binding affinity: MOAD: Kd=0.42uM

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:2q2c, PDBe:2q2c, PDBj:2q2c
• PDBsum: 2q2c
• PubMed: 18022195
• UniProt: D0VWX8