Structure of PDB 4g4p Chain A Binding Site BS01

Receptor Information

>4g4p Chain A (length=235) Species: 226185 (Enterococcus faecalis V583)

HHGENLYFQGMEGKKYTIGTDLTFAPFEFQDSKGKYIGIDVDLLDAIAKD
QDFEVDLKPLGFDSAVQAIQSKQIDGMIAGMSITDERKKSFDFSDPYFDS
GLQLAVKKGNDKIKSYDDLKGKTVAAKVGTESANFLEKNKEKYDYTIKNF
DDATGLYKALENGEADAIVDDYPVLGYAVKNGQKLQLVGDKETGSSYGFA
VKKGQNPELIKKFNAGLKNLKDNGTYDKILNNYLA

Ligand information

• Ligand ID: GLN
• InChI: InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
• InChIKey: ZDXPYRJPNDTMRX-VKHMYHEASA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(CC(=O)N)C(C(=O)O)N
  OpenEye OEToolkits 1.5.0: C(CC(=O)N)[C@@H](C(=O)O)N
  ACDLabs 10.04: O=C(N)CCC(N)C(=O)O
  CACTVS 3.341: N[CH](CCC(N)=O)C(O)=O
  CACTVS 3.341: N[C@@H](CCC(N)=O)C(O)=O
• Formula: C5 H10 N2 O3
• Name: GLUTAMINE
• ChEMBL: CHEMBL930
• DrugBank: DB00130
• ZINC: ZINC000001532526
• PDB chain: 4g4p Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4g4p Functional Diversity of Tandem Substrate-Binding Domains in ABC Transporters from Pathogenic Bacteria.
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): F33 F71 A88 G89 M90 S91 R96 K136 T139 E140 D180
• Binding residue (residue number reindexed from 1): F24 F62 A79 G80 M81 S82 R87 K127 T130 E131 D171
• Annotation score: 4
• Binding affinity: MOAD: Kd=0.13uM
  PDBbind-CN: -logKd/Ki=6.89,Kd=0.13uM

Gene Ontology

Molecular Function

• GO:0015276 ligand-gated monoatomic ion channel activity

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:4g4p, PDBe:4g4p, PDBj:4g4p
• PDBsum: 4g4p
• PubMed: 23994008
• UniProt: Q837S0