Structure of PDB 7cj8 Chain D Binding Site BS02

Receptor Information
>7cj8 Chain D (length=288) Species: 1727196 (Methylomonas sp. DH-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HSMAFPKRLEYGGHALVWSGDWSAAGARKAIAGAARAGYDYIEIALLDPW
QIDVALTKDLLQEYNLRAHASLGLSAATDVTSTDPAIVAKGDELLRKATD
VLYALGGSELCGVIYCALGKYPGPASRENRANSVAAMQRLADYAADKGIN
IDLEVVNRYETNIMNTGLEGLAFLDEVNRPNAFLHLDTYHMNIEENGMAK
SVLAAGDRLGYVHIGESHRGYLGTGNVDFASFFAALKQIDYRGPITFESF
SSEIVDPKLSNTLCVWRNLWHDSDDLAGKALEFIKQRY
Ligand information
Ligand IDPSJ
InChIInChI=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
InChIKeyBJHIKXHVCXFQLS-PUFIMZNGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O
CACTVS 3.352OC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)CO
ACDLabs 11.02O=C(C(O)C(O)C(O)CO)CO
OpenEye OEToolkits 1.7.0C(C(C(C(C(=O)CO)O)O)O)O
CACTVS 3.352OC[CH](O)[CH](O)[CH](O)C(=O)CO
FormulaC6 H12 O6
NameD-psicose
ChEMBLCHEMBL1235460
DrugBankDB15087
ZINCZINC000005132035
PDB chain7cj8 Chain D Residue 303 [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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PDB7cj8 Crystal structure of a novel homodimeric l-ribulose 3-epimerase from Methylomonus sp.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		H12 S69 E152 E158 H188 H211 R217 E246
Binding residue
(residue number reindexed from 1)		H14 S71 E154 E160 H190 H213 R219 E248
Annotation score5
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:7cj8, PDBe:7cj8, PDBj:7cj8
PDBsum7cj8
PubMed33838083
UniProtA0A172U6X0|LR3E_METSD L-ribulose 3-epimerase (Gene Name=AYM39_05640)

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