Structure of PDB 2qje Chain A Binding Site BS02

Receptor Information

>2qje Chain A (length=340) Species: 9913 (Bos taurus)

YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADA
LNLDGGYIYTAGKCGLVPVLAENRKSSKHSSLDCVLRPTEGYLAVAVVKK
ANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSC
APGADPKSRLCALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVA
FVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPVTEAQSCHLAV
APNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLF
NDNTECLAKLGGRPTYEEYLGTEYVTAIANLKKCSLEACA

Ligand information

• Ligand ID: Z8T
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m0/s1
• InChIKey: WQZGKKKJIJFFOK-QYESYBIKSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.7.6: C([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-L-glucopyranose;
  beta-L-glucose;
  L-glucose;
  glucose
• ZINC: ZINC000001532520
• PDB chain: 2qje Chain D Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2qje Crystal structure of the complex of Bovine C-lobe with Amygdalin at 2.3A resolution
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): H420 P429 E431
• Binding residue (residue number reindexed from 1): H79 P88 E90
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.4.21.-

Gene Ontology

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:2qje, PDBe:2qje, PDBj:2qje
• PDBsum: 2qje
• UniProt: P24627|TRFL_BOVIN Lactotransferrin (Gene Name=LTF)