Structure of PDB 8jq5 Chain A Binding Site BS03
Receptor Information
>8jq5 Chain A (length=420) Species:
47715
(Lacticaseibacillus rhamnosus) [
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MVKPEEVDKAYEVAKQRYAEIGVDTDAAMKELEKVPLSVHCWQGDDIHGF
LFPNQELTGGIGVSGNYPGIARTPDELAGDMHEALSLIPGKHRVQLHAIY
AVTDKKRDLDTLEPEDFDYWIDWAKQEGVGLDFNGTFFSHPMVKDNMTVS
SPDPKVRDFWIRHGKISREISNYIGEKLGSQVVNNFWLPDGFKDNPIDKK
TPRLRLLKALDEIIKDPLPEKNTIESFEGKLFGTGIESYTTGSHEFYQNY
AISRNKLWTIDAGHFHPTEDVSDKFSAFFPFGKGLFMHVSRPVRWDSDHV
VIMDDALIRITRSLVRDGYLDRTHIGLDFFDATINRVAAWVVGARATQKS
LLQAMLAPIDQLKKDELNADFTTRLIETEELKSFPFGAVWDKFCQDHNTP
VGFDWMNNIHQYEKDVQFKR
Ligand information
Ligand ID
PSJ
InChI
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m1/s1
InChIKey
BJHIKXHVCXFQLS-PUFIMZNGSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.0
C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O
CACTVS 3.352
OC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)CO
ACDLabs 11.02
O=C(C(O)C(O)C(O)CO)CO
OpenEye OEToolkits 1.7.0
C(C(C(C(C(=O)CO)O)O)O)O
CACTVS 3.352
OC[CH](O)[CH](O)[CH](O)C(=O)CO
Formula
C6 H12 O6
Name
D-psicose
ChEMBL
CHEMBL1235460
DrugBank
DB15087
ZINC
ZINC000005132035
PDB chain
8jq5 Chain A Residue 503 [
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Receptor-Ligand Complex Structure
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PDB
8jq5
X-ray structure and characterization of a probiotic Lactobacillus rhamnosus Probio-M9 L-rhamnose isomerase.
Resolution
1.73 Å
Binding residue
(original residue number in PDB)
W42 I61 H97 W187 E228 K230 H264 D328 F330
Binding residue
(residue number reindexed from 1)
W42 I61 H97 W187 E228 K230 H264 D328 F330
Annotation score
2
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:8jq5
,
PDBe:8jq5
,
PDBj:8jq5
PDBsum
8jq5
PubMed
38430263
UniProt
A0A171J5T1
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