Structure of PDB 4ymx Chain B Binding Site BS01

Receptor Information

>4ymx Chain B (length=224) Species: 273068 (Caldanaerobacter subterraneus subsp. tengcongensis MB4)

GVIVMGTSADFPPFEFHKVEGGKDEIVGFDIDIANAIAKKLGVKLEIKDM
DFKGLIPALQAGRVDMVIAGMTPTAERKKSVDFSDLYYDSRQVVVVKNDS
PISKFDDLKVKTIAVQIGTTSEEAAKKIPNVKLKQLNRVSDEFMDLQNGR
CDAIVVEDTVAKAYLKEYKDMKILYMDEINNVENGSAVAVAKGNKSLLDV
VNEVIKELKQSGEYDKLVDKWFKQ

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: 4ymx Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ymx Structural basis for substrate specificity of an amino acid ABC transporter
• Resolution: 1.481 Å
• Binding residue (original residue number in PDB): S44 D46 F47 F88 A105 G106 M107 T108 R113 Q152 T155 T156 E193
• Binding residue (residue number reindexed from 1): S8 D10 F11 F52 A69 G70 M71 T72 R77 Q116 T119 T120 E157
• Annotation score: 4
• Binding affinity: MOAD: Kd=79nM

Gene Ontology

Molecular Function

• GO:0015276 ligand-gated monoatomic ion channel activity

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:4ymx, PDBe:4ymx, PDBj:4ymx
• PDBsum: 4ymx
• PubMed: 25848002
• UniProt: Q8RCC4