Structure of PDB 8jq6 Chain A Binding Site BS04

Receptor Information
>8jq6 Chain A (length=409) Species: 47715 (Lacticaseibacillus rhamnosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVKPEEVDKAYEVAKQRYAEIGVDTDAAMKELEKVPLSVHCWQGDDIHGF
LFPGNYPGIARTPDELAGDMHEALSLIPGKHRVQLHAIYAVTDKKRDLDT
LEPEDFDYWIDWAKQEGVGLDFNGTFFSHPMVKDNMTVSSPDPKVRDFWI
RHGKISREISNYIGEKLGSQVVNNFWLPDGFKDNPIDKKTPRLRLLKALD
EIIKDPLPEKNTIESFEGKLFGTGIESYTTGSHEFYQNYAISRNKLWTID
AGHFHPTEDVSDKFSAFFPFGKGLFMHVSRPVRWDSDHVVIMDDALIRIT
RSLVRDGYLDRTHIGLDFFDATINRVAAWVVGARATQKSLLQAMLAPIDQ
LKKDELNADFTTRLIETEELKSFPFGAVWDKFCQDHNTPVGFDWMNNIHQ
YEKDVQFKR
Ligand information
Ligand IDALL
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-QZABAPFNSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C1(C(C(C(C(CO)O1)O)O)O)O
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O
CACTVS 3.385OC[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O
CACTVS 3.385OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
FormulaC6 H12 O6
Namebeta-D-allopyranose;
beta-D-allose;
D-allose;
allose;
D-ALLOPYRANOSE
ChEMBL
DrugBank
ZINCZINC000004095659
PDB chain8jq6 Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8jq6 X-ray structure and characterization of a probiotic Lactobacillus rhamnosus Probio-M9 L-rhamnose isomerase.
Resolution1.71 Å
Binding residue
(original residue number in PDB)		D404 M406 N407
Binding residue
(residue number reindexed from 1)		D393 M395 N396
Annotation score2
Enzymatic activity
Enzyme Commision number 5.3.1.14: L-rhamnose isomerase.
Gene Ontology
Molecular Function
GO:0008740 L-rhamnose isomerase activity
GO:0016853 isomerase activity
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
Biological Process
GO:0019299 rhamnose metabolic process
GO:0019301 rhamnose catabolic process
GO:0019324 L-lyxose metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8jq6, PDBe:8jq6, PDBj:8jq6
PDBsum8jq6
PubMed38430263
UniProtA0A171J5T1

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