Structure of PDB 4ry9 Chain A Binding Site BS01

Receptor Information

>4ry9 Chain A (length=297) Species: 391735 (Verminephrobacter eiseniae EF01-2)

GAFKIGVSMKTLSAPYFAAQMEAAKARGKELGYEVLATDAQGKLQKQISD
VEDLVTRGVKLLIINPADSEGLVNAVNNASANGVKVVVIDSTLNPRANFV
TQVQSSNSINGALVGHWVIEEVGNKSLKIALLSGEKGNPVGQERRLGVLS
GIIEAQLRKFGKADLTVVGQGWGHWNDEGGLKAMEDLLVANKDINMVLGE
NDSMVLGARRAIESAGRTGILLVAAADAQKEALALIKQGKYGVTGLNDPA
LVARTAIDLGVKVVKGEVKDVPKQTLTTPAAITKGNVDKFYNPKAVF

Ligand information

• Ligand ID: TLZ
• InChI: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6+/m1/s1
• InChIKey: FBPFZTCFMRRESA-KAZBKCHUSA-N
• SMILES:
  CACTVS 3.385: OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
  OpenEye OEToolkits 1.7.6: C([C@H]([C@H]([C@H]([C@@H](CO)O)O)O)O)O
  CACTVS 3.385: OC[CH](O)[CH](O)[CH](O)[CH](O)CO
  ACDLabs 12.01: OC(C(O)CO)C(O)C(O)CO
  OpenEye OEToolkits 1.7.6: C(C(C(C(C(CO)O)O)O)O)O
• Formula: C6 H14 O6
• Name: D-altritol;
  D-talitol
• ZINC: ZINC000018010484
• PDB chain: 4ry9 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ry9 Crystal structure of carbohydrate transporter solute binding protein VEIS_2079 from Verminephrobacter eiseniae
• Resolution: 1.4 Å
• Binding residue (original residue number in PDB): K43 Y49 F50 D123 S124 N171 R177 W208 N234 D260
• Binding residue (residue number reindexed from 1): K10 Y16 F17 D90 S91 N138 R144 W175 N201 D227
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

Cellular Component

• GO:0042597 periplasmic space

External links

• PDB: RCSB:4ry9, PDBe:4ry9, PDBj:4ry9
• PDBsum: 4ry9
• UniProt: A1WJM2