Structure of PDB 4ytt Chain C Binding Site BS02

Receptor Information
>4ytt Chain C (length=297) Species: 36746 (Pseudomonas cichorii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNKVGMFYTYWSTEWMVDFPATAKRIAGLGFDLMEISLGEFHNLSDAKKR
ELKAVADDLGLTVMCSIGLKSEYDFASPDKSVRDAGTEYVKRLLDDCHLL
GAPVFAGLTFCAWPQSPPLDMKDKRPYVDRAIESVRRVIKVAEDYGIIYA
LEVVNRFEQWLCNDAKEAIAFADAVDSPACKVQLDTFHMNIEETSFRDAI
LACKGKMGHFHLGEANRLPPGEGRLPWDEIFGALKEIGYDGTIVMEPFMR
KGGSVSRAVGVWRDMSNGATDEEMDERARRSLQFVRDKLAGSRSHHH
Ligand information
Ligand IDPUD
InChIInChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5-,6+/m0/s1
InChIKeyQZNPNKJXABGCRC-ZXEDONINSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[CH](O)[CH](O)[CH](O)C(=O)CO
CACTVS 3.385C[C@H](O)[C@H](O)[C@H](O)C(=O)CO
OpenEye OEToolkits 1.9.2CC(C(C(C(=O)CO)O)O)O
ACDLabs 12.01C(O)(C(C)O)C(C(CO)=O)O
OpenEye OEToolkits 1.9.2C[C@@H]([C@@H]([C@@H](C(=O)CO)O)O)O
FormulaC6 H12 O5
Name6-deoxy-L-psicose
ChEMBL
DrugBank
ZINC
PDB chain4ytt Chain C Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4ytt X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates
Resolution1.8 Å
Binding residue
(original residue number in PDB)		I67 L108 W113 E152 E158 H188 H211 R217 E246
Binding residue
(residue number reindexed from 1)		I67 L108 W113 E152 E158 H188 H211 R217 E246
Annotation score2
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

View graph for
Molecular Function
External links
PDB RCSB:4ytt, PDBe:4ytt, PDBj:4ytt
PDBsum4ytt
PubMed27368739
UniProtO50580|DT3E_PSECI D-tagatose 3-epimerase

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