Structure of PDB 4ytq Chain C Binding Site BS02

Receptor Information

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

MNKVGMFYTYWSTEWMVDFPATAKRIAGLGFDLMEISLGEFHNLSDAKKR
ELKAVADDLGLTVMCSIGLKSEYDFASPDKSVRDAGTEYVKRLLDDCHLL
GAPVFAGLTFCAWPQSPPLDMKDKRPYVDRAIESVRRVIKVAEDYGIIYA
LEVVNRFEQWLCNDAKEAIAFADAVDSPACKVQLDTFHMNIEETSFRDAI
LACKGKMGHFHLGEANRLPPGEGRLPWDEIFGALKEIGYDGTIVMEPFMR
KGGSVSRAVGVWRDMSNGATDEEMDERARRSLQFVRDKLAGSRSHHH

Ligand information

• Ligand ID: TGY
• InChI: InChI=1S/C6H12O5/c1-6(10)5(9)4(8)3(7)2-11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5+,6+/m1/s1
• InChIKey: YLWWLYACYNLGLT-VANKVMQKSA-N
• SMILES:
  OpenEye OEToolkits 1.9.2: C[C@]1([C@H]([C@H]([C@@H](CO1)O)O)O)O
  CACTVS 3.385: C[C]1(O)OC[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.9.2: CC1(C(C(C(CO1)O)O)O)O
  CACTVS 3.385: C[C@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O
  ACDLabs 12.01: C1(O)C(O)C(C(O)(C)OC1)O
• Formula: C6 H12 O5
• Name: 1-deoxy-alpha-D-tagatopyranose;
  1-deoxy-alpha-D-tagatose;
  1-deoxy-D-tagatose;
  1-deoxy-tagatose
• PDB chain: 4ytq Chain C Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ytq X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): F284 D287 K288 S292 S294
• Binding residue (residue number reindexed from 1): F284 D287 K288 S292 S294
• 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:4ytq, PDBe:4ytq, PDBj:4ytq
• PDBsum: 4ytq
• PubMed: 27368739
• UniProt: O50580|DT3E_PSECI D-tagatose 3-epimerase