Structure of PDB 8h1l Chain C Binding Site BS01

Receptor Information
>8h1l Chain C (length=422) Species: 106 (Runella slithyformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSEKIASLRQEIETYLNTGLLPFWITRTVDKENGGFLTHFDQFGNDSGED
EKSLIAQSRSVFTYSSAHRAGYGGGVLAEMARHGVDYLINNMWDNEHGGF
YWMTNRKGEVTIDQKIVYGLSFCIYSLSEYTLATGDPRGREYAEKTFDLL
QKYAVDTHYGGYFEMFNRDWTLKGPGAAGGDRKTLDVHMHLMEAYTTLYE
CTGQEIHRRKLLETIELLVNKVMHPEYGTGIPQFWADWSVAPQIKFDIVW
GWDRFNPDGLKSAAEDNTSYGHNSEFAWLLMHALDILGLPYDTYREQITK
SYTHAVENGVDWEFGGVYVEGSHAGQVYDKEKEFWQQAEMLIGMLDAYRF
LKDEKYLQAYENIHRFVFDKMINHSLGEWWPLMTREGVPIWKHMSHSWKI
NYHDVRSMIQSIVRLDKIAKGV
Ligand information
Ligand IDSOR
InChIInChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKeyFBPFZTCFMRRESA-JGWLITMVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)[CH](O)CO
ACDLabs 10.04OC(C(O)CO)C(O)C(O)CO
CACTVS 3.341OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
OpenEye OEToolkits 1.5.0C(C(C(C(C(CO)O)O)O)O)O
FormulaC6 H14 O6
Namesorbitol;
D-sorbitol;
D-glucitol
ChEMBLCHEMBL1682
DrugBankDB01638
ZINCZINC000018279893
PDB chain8h1l Chain C Residue 501 [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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PDB8h1l Structural insights into the substrate specificity and activity of a novel mannose 2-epimerase from Runella slithyformis.
Resolution2.33 Å
Binding residue
(original residue number in PDB)		R60 Y119 D187 H191 W251 H273 E276 H404
Binding residue
(residue number reindexed from 1)		R59 Y118 D186 H190 W250 H272 E275 H403
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0050121 N-acylglucosamine 2-epimerase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006044 N-acetylglucosamine metabolic process
GO:0006051 N-acetylmannosamine metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8h1l, PDBe:8h1l, PDBj:8h1l
PDBsum8h1l
PubMed37314406
UniProtA0A7U4E834

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