Structure of PDB 4psh Chain A Binding Site BS01

Receptor Information

>4psh Chain A (length=225) Species: 243274 (Thermotoga maritima MSB8)

IDEIKSRGYLLVGLSADFPPFEFVDENGNIVGFDVDLAKEIARRLGVELK
IVDMTFDGLIPSLLTKKIDVIISGMTITEERKKVVAFSDPYFDAGQVIVV
RKDSDFRPKTYEDLVGKTVAVQIGTTGDIEVSKYDGIKVVRFDKFTDAFL
ELKRGRADAVVLDSATARAFVAKNPDLVISSGVLSSEQYGIAVRKEDTDL
LEFINSVLRELKKSPYDVLIEKWFS

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: 4psh Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4psh A loose domain swapping organization confers a remarkable stability to the dimeric structure of the arginine binding protein from Thermotoga maritima
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): S16 D18 F19 F57 S74 G75 M76 T77 R82 Q123 T126 T127 D164
• Binding residue (residue number reindexed from 1): S15 D17 F18 F56 S73 G74 M75 T76 R81 Q122 T125 T126 D163
• Annotation score: 4
• Binding affinity: PDBbind-CN: -logKd/Ki=8.89,Kd=1.3nM

Gene Ontology

Molecular Function

• GO:0015276 ligand-gated monoatomic ion channel activity

Biological Process

• GO:0034220 monoatomic ion transmembrane transport

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:4psh, PDBe:4psh, PDBj:4psh
• PDBsum: 4psh
• PubMed: 24832102
• UniProt: Q9WZ62