Structure of PDB 7s5f Chain D Binding Site BS02

Receptor Information
>7s5f Chain D (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 D Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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 H107
Binding residue
(residue number reindexed from 1)		W19 D46 Y47 H107
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

[Back to BioLiP]