Structure of PDB 4yts Chain D Binding Site BS03

Receptor Information

>4yts Chain D (length=290) Species: 36746 (Pseudomonas cichorii)

MNKVGMFYTYWSTEWMVDFPATAKRIAGLGFDLMEISLGEFHNLSDAKKR
ELKAVADDLGLTVMCSIGLKSEYDFASPDKSVRDAGTEYVKRLLDDCHLL
GAPVFAGLTFCAWPQSPPLDMKDKRPYVDRAIESVRRVIKVAEDYGIIYA
LEVVNRFEQWLCNDAKEAIAFADAVDSPACKVQLDTFHMNIEETSFRDAI
LACKGKMGHFHLGEANRLPPGEGRLPWDEIFGALKEIGYDGTIVMEPFMR
KGGSVSRAVGVWRDMSNGATDEEMDERARRSLQFVRDKLA

Ligand information

• Ligand ID: TGS
• InChI: InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3-4,6-9,11H,2H2,1H3/t3-,4+,6-/m0/s1
• InChIKey: UCLAXLMTPFNPGE-RPDRRWSUSA-N
• SMILES:
  OpenEye OEToolkits 1.9.2: C[C@@H](C(=O)[C@H]([C@@H](CO)O)O)O
  ACDLabs 12.01: CC(O)C(C(C(CO)O)O)=O
  CACTVS 3.385: C[CH](O)C(=O)[CH](O)[CH](O)CO
  CACTVS 3.385: C[C@H](O)C(=O)[C@@H](O)[C@H](O)CO
  OpenEye OEToolkits 1.9.2: CC(C(=O)C(C(CO)O)O)O
• Formula: C6 H12 O5
• Name: 1-deoxy-D-xylo-hex-3-ulose;
  1-deoxy 3-keto-D-galactitol
• PDB chain: 4yts Chain D Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4yts X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates
• Resolution: 2.14 Å
• Binding residue (original residue number in PDB): W113 E152 E158 H188 H211 R217 E246
• Binding residue (residue number reindexed from 1): W113 E152 E158 H188 H211 R217 E246
• Annotation score: 2

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:4yts, PDBe:4yts, PDBj:4yts
• PDBsum: 4yts
• PubMed: 27368739
• UniProt: O50580|DT3E_PSECI D-tagatose 3-epimerase