Structure of PDB 4ytt Chain D Binding Site BS03

Receptor Information

>4ytt Chain D (length=292) Species: 36746 (Pseudomonas cichorii)

MNKVGMFYTYWSTEWMVDFPATAKRIAGLGFDLMEISLGEFHNLSDAKKR
ELKAVADDLGLTVMCSIGLKSEYDFASPDKSVRDAGTEYVKRLLDDCHLL
GAPVFAGLTFCAWPQSPPLDMKDKRPYVDRAIESVRRVIKVAEDYGIIYA
LEVVNRFEQWLCNDAKEAIAFADAVDSPACKVQLDTFHMNIEETSFRDAI
LACKGKMGHFHLGEANRLPPGEGRLPWDEIFGALKEIGYDGTIVMEPFMR
KGGSVSRAVGVWRDMSNGATDEEMDERARRSLQFVRDKLAGS

Ligand information

• Ligand ID: PUF
• InChI: InChI=1S/C6H12O5/c1-3-4(8)5(9)6(10,2-7)11-3/h3-5,7-10H,2H2,1H3/t3-,4-,5-,6+/m0/s1
• InChIKey: CJJCPDZKQKUXSS-OMMKOOBNSA-N
• SMILES:
  CACTVS 3.385: C[CH]1O[C](O)(CO)[CH](O)[CH]1O
  ACDLabs 12.01: C(O)C1(C(C(O)C(O1)C)O)O
  OpenEye OEToolkits 1.9.2: C[C@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O
  OpenEye OEToolkits 1.9.2: CC1C(C(C(O1)(CO)O)O)O
  CACTVS 3.385: C[C@@H]1O[C@](O)(CO)[C@@H](O)[C@H]1O
• Formula: C6 H12 O5
• Name: 6-deoxy-alpha-L-psicofuranose;
  6-deoxy-alpha-L-psicose;
  6-deoxy-L-psicose;
  6-deoxy-psicose
• PDB chain: 4ytt Chain D Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ytt X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): W11 A21 T22 R25 D271
• Binding residue (residue number reindexed from 1): W11 A21 T22 R25 D271
• 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:4ytt, PDBe:4ytt, PDBj:4ytt
• PDBsum: 4ytt
• PubMed: 27368739
• UniProt: O50580|DT3E_PSECI D-tagatose 3-epimerase