Structure of PDB 7bbr Chain A Binding Site BS01

Receptor Information

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

KDIKPRIIRFGYGLADDSPTGKASAHFAEVVSKLSDGKMKVKTFGNGALG
PDEQLINSLISGSGEITFVSTAPIASLIPEFGVFDLPFLFDNEKVADTVL
DGPEGKKLLDKLPAKGLIGLNYWENGFRNITNSRHEISKLDDIGGIKLRV
MQNQVALSVFKGLGANAIPMPFTELFTALETKTVDGQENPLSTIQTSKFY
EVQPYLTLSNHVYTPFVFLASKKWFDQLSQDEKDVITQAAADSQAFQRKA
SRQGNEDALKYLKEHNVKVAEFSTEEREKIREKVAPIVESLKAKIGKETV
EGVLDAAKKA

Ligand information

• Ligand ID: KDG
• InChI: InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m0/s1
• InChIKey: WPAMZTWLKIDIOP-WVZVXSGGSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)O
  CACTVS 3.341: OC[C@@H](O)[C@@H](O)CC(=O)C(O)=O
  ACDLabs 10.04: O=C(C(=O)O)CC(O)C(O)CO
  CACTVS 3.341: OC[CH](O)[CH](O)CC(=O)C(O)=O
  OpenEye OEToolkits 1.5.0: C(C(C(CO)O)O)C(=O)C(=O)O
• Formula: C6 H10 O6
• Name: 2-KETO-3-DEOXYGLUCONATE
• ZINC: ZINC000001532568
• PDB chain: 7bbr Chain A Residue 901

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7bbr Crystal structure of the sugar acid-binding protein CxaP from a TRAP transporter in Advenella mimigardefordensis strain DPN7 T .
• Resolution: 1.3 Å
• Binding residue (original residue number in PDB): G21 L22 D60 S78 N133 R136 R157 M159 F180 N197
• Binding residue (residue number reindexed from 1): G13 L14 D52 S70 N125 R128 R149 M151 F172 N189
• Annotation score: 4

Gene Ontology

Biological Process

• GO:0055085 transmembrane transport

Cellular Component

• GO:0030288 outer membrane-bounded periplasmic space

External links

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