Structure of PDB 4pgl Chain B Binding Site BS03

Receptor Information

>4pgl Chain B (length=290) Species: 36746 (Pseudomonas cichorii)

MNKVGMFYSYWSTEWMVDFPATAKRIAGLGFDLMEISLSEFHNLSDAKKR
ELKAVADDLGLTVMCCIGLKSEYDFASPDKSVRDAGTEYVKRLLDDCHLL
GAPVFAGLNFCAWPQHPPLDMVDKRPYVDRAIESVRRVIKVAEDYGIIYA
LEAVNRYEQWLCNDAKEAIAFADAVDSPACKVHLDTFHMNIEENSFRDAI
LACKGKMGHFHLGEQNRLPPGEGRLPWDEIFGALKEIGYDGTIVIEPFMR
TGGSVSRAVCVWRDLSNGATDEEMDERARRSLQFVRDKLA

Ligand information

• Ligand ID: SOE
• InChI: InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1
• InChIKey: LKDRXBCSQODPBY-BGPJRJDNSA-N
• SMILES:
  CACTVS 3.370: OC[C]1(O)OC[CH](O)[CH](O)[CH]1O
  ACDLabs 12.01: OC1C(O)(OCC(O)C1O)CO
  CACTVS 3.370: OC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.7.0: C1C(C(C(C(O1)(CO)O)O)O)O
  OpenEye OEToolkits 1.7.0: C1[C@@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O
• Formula: C6 H12 O6
• Name: alpha-L-sorbopyranose;
  alpha-L-sorbose;
  L-sorbose;
  sorbose;
  L-sorbose in pyranose form
• ZINC: ZINC000003861737
• PDB chain: 4pgl Chain B Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4pgl Directed Divergent Evolution of a Thermostable D-Tagatose Epimerase towards Improved Activity for Two Hexose Substrates.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): V17 A21 T22 R25
• Binding residue (residue number reindexed from 1): V17 A21 T22 R25
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 5.1.3.31: D-tagatose 3-epimerase.

Gene Ontology

Molecular Function

• GO:0016853 isomerase activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:4pgl, PDBe:4pgl, PDBj:4pgl
• PDBsum: 4pgl
• PubMed: 25655925
• UniProt: O50580|DT3E_PSECI D-tagatose 3-epimerase