Structure of PDB 8jq6 Chain D Binding Site BS03

Receptor Information
>8jq6 Chain D (length=414) Species: 47715 (Lacticaseibacillus rhamnosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVKPEEVDKAYEVAKQRYAEIGVDTDAAMKELEKVPLSVHCWQGDDIHGF
LFPNYPGIARTPDELAGDMHEALSLIPGKHRVQLHAIYAVTDKKRDLDTL
EPEDFDYWIDWAKQEGVGLDFNGTFFSHPMVKDNMTVSSPDPKVRDFWIR
HGKISREISNYIGEKLGSQVVNNFWLPDGFKDNPIDKKTPRLRLLKALDE
IIKDPLPEKNTIESFEGKLFGTGIESYTTGSHEFYQNYAISRNKLWTIDA
GHFHPTEDVSDKFSAFFPFGKGLFMHVSRPVRWDSDHVVIMDDALIRITR
SLVRDGYLDRTHIGLDFFDATINRVAAWVVGARATQKSLLQAMLAPIDQL
KKDELNADFTTRLIETEELKSFPFGAVWDKFCQDHNTPVGFDWMNNIHQY
EKDVQFKRDAKLVH
Ligand information
Ligand IDAFD
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-UKFBFLRUSA-N
SMILES
SoftwareSMILES
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[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.385OC[C@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O
ACDLabs 12.01C1(O)OC(C(C(C1O)O)O)CO
FormulaC6 H12 O6
Namealpha-D-allopyranose;
alpha-D-allose;
D-allose;
allose
ChEMBL
DrugBank
ZINCZINC000004095660
PDB chain8jq6 Chain D Residue 503 [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)		W42 H97 W187 E228 K230 H264 D328
Binding residue
(residue number reindexed from 1)		W42 H85 W175 E216 K218 H252 D316
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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