Structure of PDB 6ggv Chain A Binding Site BS01

Receptor Information

>6ggv Chain A (length=212) Species: 243274 (Thermotoga maritima MSB8)

IDEIKSRGYLLVGLSADFPPFEFVDENGNIVGFDVDLAKEIARRLGVELK
IVDMTFDGLIPSLLTKKIDVIISGMTITEERKKVVAFSDPYFDAGQVIVV
RKDSDFRPKTYEDLVGKTVAVQIGTTGDIEVSKYDGIKVVRFDKFTDAFL
ELKRGRADAVVLDSATARAFVAKNPDLVISSGVLSSEQYGIAVRKEDTDL
LEFINSVLRELK

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: 6ggv Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ggv Domain swapping dissection in Thermotoga maritima arginine binding protein: How structural flexibility may compensate destabilization.
• Resolution: 2.69 Å
• Binding residue (original residue number in PDB): S35 F38 F76 S93 G94 M95 T96 R101 Q142 T145 T146 D183 Y209
• Binding residue (residue number reindexed from 1): S15 F18 F56 S73 G74 M75 T76 R81 Q122 T125 T126 D163 Y189
• Annotation score: 4
• Binding affinity: PDBbind-CN: -logKd/Ki=7.54,Kd=29nM

Gene Ontology

Molecular Function

• GO:0015276 ligand-gated monoatomic ion channel activity

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:6ggv, PDBe:6ggv, PDBj:6ggv
• PDBsum: 6ggv
• PubMed: 29860047
• UniProt: Q9WZ62