Structure of PDB 7s5f Chain A Binding Site BS02

Receptor Information
>7s5f Chain A (length=309) Species: 4045 (Apium graveolens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAITLNSGFKMPVLGLGVWRMDRNEIKNLLLSAINLGYRHFDCAADYKNE
LEVGEAFKEAFDTDLVKREDLFITTKLWNSDHGHVIEACKNSLKKLQLEY
LDLYLIHFPMASKHSGIGTTRSILDDEGVLEVDTTISLEATWHEMEKLVE
MGLVRSIGISNYDVYLTRDILSYSKIKPAVNQIETHPYFQRDSLIKFCHK
YGIAITAHTPLGGALANTERFGSVSCLDDPVLKKLSDKHNKSPAQIVLRW
GVQRNTIVIPKSSKTKRLEENLNIFDFELSKEDMELIKTMERNQRSNTPA
KAWGIDVYA
Ligand information
Ligand IDCS2
InChIInChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5+/m1/s1
InChIKeyRGHNJXZEOKUKBD-MBMOQRBOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(C(C(C(=O)O)O)O)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O
ACDLabs 10.04O=C(O)C(O)C(O)C(O)C(O)CO
CACTVS 3.341OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O
FormulaC6 H12 O7
NameD-MANNONIC ACID;
D-MANNONATE
ChEMBL
DrugBank
ZINCZINC000002040884
PDB chain7s5f Chain A 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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PDB7s5f Structural Determinants of Sugar Alcohol Biosynthesis in Plants: The Crystal Structures of Mannose-6-Phosphate and Aldose-6-Phosphate Reductases.
Resolution1.72 Å
Binding residue
(original residue number in PDB)		W19 D46 Y47 W78 H107 F108
Binding residue
(residue number reindexed from 1)		W19 D46 Y47 W78 H107 F108
Annotation score2
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0047641 aldose-6-phosphate reductase (NADPH) activity

View graph for
Molecular Function
External links
PDB RCSB:7s5f, PDBe:7s5f, PDBj:7s5f
PDBsum7s5f
PubMed35243499
UniProtA0A1U9WT24

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