Structure of PDB 7bcp Chain A Binding Site BS01

Receptor Information

>7bcp Chain A (length=310) Species: 1247726 (Advenella mimigardefordensis DPN7)

DIKPRIIRFGYGLADDSPTGKASAHFAEVVSKLSDGKMKVKTFGNGALGP
DEQLINSLISGSGEITFVSTAPIASLIPEFGVFDLPFLFDNEKVADTVLD
GPEGKKLLDKLPAKGLIGLNYWENGFRNITNSRHEISKLDDIGGIKLRVM
QNQVALSVFKGLGANAIPMPFTELFTALETKTVDGQENPLSTIQTSKFYE
VQPYLTLSNHVYTPFVFLASKKWFDQLSQDEKDVITQAAADSQAFQRKAS
RQGNEDALKYLKEHNVKVAEFSTEEREKIREKVAPIVESLKAKIGKETVE
GVLDAAKKAS

Ligand information

• Ligand ID: GCO
• InChI: InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1
• InChIKey: RGHNJXZEOKUKBD-SQOUGZDYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C(C(C(C(C(C(=O)O)O)O)O)O)O
  CACTVS 3.341: OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O
  CACTVS 3.341: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
  ACDLabs 10.04: O=C(O)C(O)C(O)C(O)C(O)CO
• Formula: C6 H12 O7
• Name: D-gluconic acid;
  GLUCONIC ACID
• ChEMBL: CHEMBL464345
• DrugBank: DB13180
• ZINC: ZINC000001531008
• PDB chain: 7bcp Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7bcp Crystal structure of the sugar acid-binding protein CxaP from a TRAP transporter in Advenella mimigardefordensis strain DPN7 T .
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): G41 L42 D80 F96 S98 N153 R156 R177 M179 F200 N217 F244
• Binding residue (residue number reindexed from 1): G12 L13 D51 F67 S69 N124 R127 R148 M150 F171 N188 F215
• Annotation score: 3

Gene Ontology

Biological Process

• GO:0055085 transmembrane transport

Cellular Component

• GO:0030288 outer membrane-bounded periplasmic space

External links

• PDB: RCSB:7bcp, PDBe:7bcp, PDBj:7bcp
• PDBsum: 7bcp
• PubMed: 33630388
• UniProt: R4JTF7