Structure of PDB 4ymu Chain C Binding Site BS01

Receptor Information

>4ymu Chain C (length=214) Species: 273068 (Caldanaerobacter subterraneus subsp. tengcongensis MB4)

MTVDFLSMVKYTPLFISGLIMTLKLTFLAVTIGVLMGLFIALMKMSSIKP
IKLVASSYIEVIRGTPLLVQLLLIYNGLMQFGMNIPAFTAGVSALAINSS
AYVAEIIRAGIQAVDPGQNEAARSLGMTHAMAMRYVIIPQAIKNILPALG
NEFIVMLKESAIVSVIGFADLTRQADIIQSVTYRYFEPYIIIAAIYFVMT
LTFSKLLSLFERRL

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: 4ymu Chain D Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ymu Structural basis for substrate specificity of an amino acid ABC transporter
• Resolution: 2.503 Å
• Binding residue (original residue number in PDB): K158 E159
• Binding residue (residue number reindexed from 1): K158 E159
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0022857 transmembrane transporter activity

Biological Process

• GO:0006865 amino acid transport
• GO:0055085 transmembrane transport
• GO:0071705 nitrogen compound transport

Cellular Component

• GO:0005886 plasma membrane
• GO:0016020 membrane
• GO:0043190 ATP-binding cassette (ABC) transporter complex

External links

• PDB: RCSB:4ymu, PDBe:4ymu, PDBj:4ymu
• PDBsum: 4ymu
• PubMed: 25848002
• UniProt: Q8RCC3