Structure of PDB 9xim Chain B Binding Site BS01

Receptor Information
>9xim Chain B (length=392) Species: 1866 (Actinoplanes missouriensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQATREDKFSFGLWTVGWQARDAFGDATRTALDPVEAVHKLAEIGAYGIT
FHDDDLVPFGSDAQTRDGIIAGFKKALDETGLIVPMVTTNLFTHPVFKDG
GFTSNDRSVRRYAIRKVLRQMDLGAELGAKTLVLWGGREGAEYDSAKDVS
AALDRYREALNLLAQYSEDRGYGLRFAIEPKPNQPRGDILLPTAGHAIAF
VQELERPELFGINPETGHEQMSNLNFTQGIAQALWHKKLFHIDLNGQHGP
KFDQDLVFGHGDLLNAFSLVDLLENGPDGAPAYDGPRHFDYKPSRTEDYD
GVWESAKANIRMYLLLKERAKAFRADPEVQEALAASKVAELKTPTLNPGE
GYAELLADRSAFEDYDADAVGAKGFGFVKLNQLAIEHLLGAR
Ligand information
Ligand IDXLS
InChIInChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1
InChIKeyPYMYPHUHKUWMLA-VPENINKCSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=CC(O)C(O)C(O)CO
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)C=O
OpenEye OEToolkits 1.5.0C([C@H]([C@@H]([C@H](C=O)O)O)O)O
CACTVS 3.341OC[C@@H](O)[C@H](O)[C@@H](O)C=O
OpenEye OEToolkits 1.5.0C(C(C(C(C=O)O)O)O)O
FormulaC5 H10 O5
NameD-xylose;
D-XYLOSE (LINEAR FORM)
ChEMBLCHEMBL1236821
DrugBankDB09419
ZINCZINC000018168715
PDB chain9xim Chain B Residue 397 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB9xim Protein engineering of xylose (glucose) isomerase from Actinoplanes missouriensis. 1. Crystallography and site-directed mutagenesis of metal binding sites.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H54 W137 E181 K183 H220 D292
Binding residue
(residue number reindexed from 1)		H52 W135 E179 K181 H218 D290
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H54 D57 M88 E181 K183 E217 H220 D245 D255 D257 D292
Catalytic site (residue number reindexed from 1) H52 D55 M86 E179 K181 E215 H218 D243 D253 D255 D290
Enzyme Commision number 5.3.1.5: xylose isomerase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0009045 xylose isomerase activity
GO:0016853 isomerase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0042732 D-xylose metabolic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:9xim, PDBe:9xim, PDBj:9xim
PDBsum9xim
PubMed1610791
UniProtP12851|XYLA_ACTM4 Xylose isomerase (Gene Name=xylA)

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