Structure of PDB 4ymw Chain C Binding Site BS01

Receptor Information

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

MTVDFLSMVKYTPLFISGLIMTLKLTFLAVTIGVLMGLFIALMKMSSIKP
IKLVASSYIEVIRGTPLLVQLLLIYNGLMQFGMNIPAFTAGVSALAINSS
AYVAEIIRAGIQAVDPGQNEAARSLGMTHAMAMRYVIIPQAIKNILPALG
NEFIVMLKESAIVSVIGFADLTRQADIIQSVTYRYFEPYIIIAAIYFVMT
LTFSKLLSLFERRL

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: 4ymw Chain C Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ymw Structural basis for substrate specificity of an amino acid ABC transporter
• Resolution: 2.804 Å
• Binding residue (original residue number in PDB): N98 Y102 E152 E159
• Binding residue (residue number reindexed from 1): N98 Y102 E152 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:4ymw, PDBe:4ymw, PDBj:4ymw
• PDBsum: 4ymw
• PubMed: 25848002
• UniProt: Q8RCC3