Structure of PDB 4ovt Chain A Binding Site BS01

Receptor Information

>4ovt Chain A (length=301) Species: 439375 (Brucella anthropi ATCC 49188)

ANVSIKVAYENNPGEPFDEVMHYWKDDLAKRSNGEITLELYPSSQLGSKK
DVTEQAMMGLNVVTISDVGFLAEYDPDLGVLYGPFLTDDPAQLFKVYDGP
WFKEKSEELKKKGIHIVMPNYLYGIRQIISKKPIRTPEDLKGMKIRVPNN
VMQIKTFEAMGATPTPMPLGETFPALAQGVIDGVENPISVLYGQKFQEEA
KYLSKVGYLTNVALIVGGEAFFSTLPEDQLKMIHESAYDAGLYSQKLTIE
KDNEMIEKMKEAGVEIIDVDRAPFKALAEKVYTQFPEWSPGLYDKIKAEL
N

Ligand information

• Ligand ID: LFC
• InChI: InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3+,4+,5-/m0/s1
• InChIKey: NBFWIISVIFCMDK-RSJOWCBRSA-N
• SMILES:
  CACTVS 3.341: C[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O
  OpenEye OEToolkits 1.5.0: CC(C(C(C(C(=O)O)O)O)O)O
  CACTVS 3.341: C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O
  OpenEye OEToolkits 1.5.0: C[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O
  ACDLabs 10.04: O=C(O)C(O)C(O)C(O)C(O)C
• Formula: C6 H12 O6
• Name: 6-deoxy-L-galactonic acid
• ZINC: ZINC000000901090
• PDB chain: 4ovt Chain A Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ovt Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): K72 I88 D90 Y146 R149 R169 P171 N209
• Binding residue (residue number reindexed from 1): K49 I65 D67 Y123 R126 R146 P148 N186
• Annotation score: 4

Gene Ontology

Biological Process

• GO:0055085 transmembrane transport

Cellular Component

• GO:0030288 outer membrane-bounded periplasmic space

External links

• PDB: RCSB:4ovt, PDBe:4ovt, PDBj:4ovt
• PDBsum: 4ovt
• PubMed: 25540822
• UniProt: A6X5V3