Structure of PDB 4pfh Chain A Binding Site BS02
Receptor Information
>4pfh Chain A (length=298) Species:
36746
(Pseudomonas cichorii) [
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MNKVGMFYTYWSTEWMVDFPATAKRIAGLGFDLMEINLEEFHNLSDAKKR
ELKAVADDLGLTVMCCIGLKSEYDFASPDKSVRDAGTEYVKRLLDDCHLL
GAPVFAGLNFCAWPQHPPLDMVDKRPYVDRAIESVRRVIKVAEDYGIIYA
LEVVNRYEQWLCNDAKEAIAFADAVDSPACKVQLDTFHMNIEENSFRDAI
LACKGKMGVFHIGEQNRLPPGEGRLPWDEIFGALKEIGYDGTIVMEPFMR
TGGSVGRDVCVWRDLSNGATDEEMDERARRSLQFVRDKLALEHHHHHH
Ligand information
Ligand ID
PSJ
InChI
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m1/s1
InChIKey
BJHIKXHVCXFQLS-PUFIMZNGSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.0
C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O
CACTVS 3.352
OC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)CO
ACDLabs 11.02
O=C(C(O)C(O)C(O)CO)CO
OpenEye OEToolkits 1.7.0
C(C(C(C(C(=O)CO)O)O)O)O
CACTVS 3.352
OC[CH](O)[CH](O)[CH](O)C(=O)CO
Formula
C6 H12 O6
Name
D-psicose
ChEMBL
CHEMBL1235460
DrugBank
DB15087
ZINC
ZINC000005132035
PDB chain
4pfh Chain A Residue 503 [
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Receptor-Ligand Complex Structure
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PDB
4pfh
Directed Divergent Evolution of a Thermostable D-Tagatose Epimerase towards Improved Activity for Two Hexose Substrates.
Resolution
1.9 Å
Binding residue
(original residue number in PDB)
F7 N37 C66 W113 E152 E158 H188 H211 R217 E246
Binding residue
(residue number reindexed from 1)
F7 N37 C66 W113 E152 E158 H188 H211 R217 E246
Annotation score
5
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:4pfh
,
PDBe:4pfh
,
PDBj:4pfh
PDBsum
4pfh
PubMed
25655925
UniProt
O50580
|DT3E_PSECI D-tagatose 3-epimerase
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