Structure of PDB 7ug8 Chain A Binding Site BS01

Receptor Information

>7ug8 Chain A (length=329) Species: 64471 (Synechococcus sp. CC9311)

GLPQVRWRMATSWPISLDTIYGGAVTICQRVEEMSGGAFRIEPFAAGEIV
PGLEVLDAVQARSVECGHTASYYYIGKNPAFAFGTAVPFGLSAQQQNTWL
YYGGGNEDMNALFADFGAVSFPAGNTGGQLGGWFKKPIQNLASLQGLKMR
IPGLGGKVMAKLGVNVQVLPGGEIYLALERGTIDAAEFTGPYDDEKLGLA
KAAKHYYYPGWWEPGPTLMALVNRKAWSDLPKEYQAMFRTACYEANLGML
SNYEWRNSEALQRITRQGIKLERYGDDILKAARSASAEIFQELADADAGF
KALLERWRLFRRDTRRWNNINELPLAEFD

Ligand information

• Ligand ID: 69O
• InChI: InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
• InChIKey: KDVFRMMRZOCFLS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: CCCC(C(O)=O)=O
  CACTVS 3.385: CCCC(=O)C(O)=O
  OpenEye OEToolkits 2.0.4: CCCC(=O)C(=O)O
• Formula: C5 H8 O3
• Name: 2-oxopentanoic acid;
  2-Ketopentanoic acid
• ChEMBL: CHEMBL1162544
• ZINC: ZINC000001532684
• PDB chain: 7ug8 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7ug8 Crystal structure of a solute receptor from Synechococcus CC9311 in complex with alpha-ketovaleric and calcium
• Resolution: 1.796 Å
• Binding residue (original residue number in PDB): Y78 Y79 Q135 R156 P158 F194 E219 L224
• Binding residue (residue number reindexed from 1): Y72 Y73 Q129 R150 P152 F188 E213 L218
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0043177 organic acid binding
• GO:0046872 metal ion binding

Biological Process

• GO:0015849 organic acid transport
• GO:0055085 transmembrane transport

Cellular Component

• GO:0031317 tripartite ATP-independent periplasmic transporter complex

External links

• PDB: RCSB:7ug8, PDBe:7ug8, PDBj:7ug8
• PDBsum: 7ug8
• UniProt: Q0I6F8