Structure of PDB 4yts Chain C Binding Site BS04

Receptor Information

>4yts Chain C (length=297) Species: 36746 (Pseudomonas cichorii)

MNKVGMFYTYWSTEWMVDFPATAKRIAGLGFDLMEISLGEFHNLSDAKKR
ELKAVADDLGLTVMCSIGLKSEYDFASPDKSVRDAGTEYVKRLLDDCHLL
GAPVFAGLTFCAWPQSPPLDMKDKRPYVDRAIESVRRVIKVAEDYGIIYA
LEVVNRFEQWLCNDAKEAIAFADAVDSPACKVQLDTFHMNIEETSFRDAI
LACKGKMGHFHLGEANRLPPGEGRLPWDEIFGALKEIGYDGTIVMEPFMR
KGGSVSRAVGVWRDMSNGATDEEMDERARRSLQFVRDKLAGSRSHHH

Ligand information

• Ligand ID: TGR
• InChI: InChI=1S/C6H12O5/c1-3(7)6(10)5(9)4(8)2-11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5-,6-/m0/s1
• InChIKey: ZCEUQVBSRPIKHS-FSIIMWSLSA-N
• SMILES:
  CACTVS 3.385: C[C@H](O)[C@]1(O)OC[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.9.2: C[C@@H]([C@]1([C@H]([C@@H](CO1)O)O)O)O
  CACTVS 3.385: C[CH](O)[C]1(O)OC[CH](O)[CH]1O
  ACDLabs 12.01: CC(C1(OCC(C1O)O)O)O
  OpenEye OEToolkits 1.9.2: CC(C1(C(C(CO1)O)O)O)O
• Formula: C6 H12 O5
• Name: 1-deoxy-alpha-D-xylo-hex-3-ulofuranose;
  1-deoxy 3-keto D-galactitol(Furanose form);
  1-deoxy-alpha-D-xylo-hex-3-ulose;
  1-deoxy-D-xylo-hex-3-ulose;
  1-deoxy-xylo-hex-3-ulose
• ZINC: ZINC000584905769
• PDB chain: 4yts Chain D Residue 404

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): S116 F157
• Binding residue (residue number reindexed from 1): S116 F157
• 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:4yts, PDBe:4yts, PDBj:4yts
• PDBsum: 4yts
• PubMed: 27368739
• UniProt: O50580|DT3E_PSECI D-tagatose 3-epimerase