Structure of PDB 4xkm Chain A Binding Site BS01

Receptor Information
>4xkm Chain A (length=435) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KEFFPGIEKIKFEGKDSKNPMAFRYYDAEKVINGKKMKDWLRFAMAWWHT
LCAEGGDQFGGGTKQFPWNGNADAIQAAKDKMDAGFEFMQKMGIEYYCFH
DVDLVSEGASVEEYEANLKEIVAYAKQKQAETGIKLLWGTANVFGHARYM
NGAATNPDFDVVARAAVQIKNAIDATIELGGENYVFWGGREGYMSLLNTD
QKREKEHLAQMLTIARDYARARGFKGTFLIEPKPMEPTKHQYDVDTETVI
GFLKAHGLDKDFKVNIEVNHATLAGHTFEHELAVAVDNGMLGSIDANRGD
YQNGWDTDQFPIDNYELTQAMMQIIRNGGLGTGGTNFDAKTRRNSTDLED
IFIAHIAGMDAMARALESAAALLDESPYKKMLADRYASFDGGKGKEFEDG
KLTLEDVVAYAKTKGEPKQTSGKQELYEAILNMYC
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain4xkm Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xkm Crystal structure of a class 2 D-xylose isomerase from the human intestinal tract microbe Bacteroides thetaiotaomicron
Resolution2.1 Å
Binding residue
(original residue number in PDB)		E234 E270 D298 D341
Binding residue
(residue number reindexed from 1)		E231 E267 D295 D338
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F26 E32 H103 D106 W141 E234 K236 E270 H273 D298 D309 D311 D341
Catalytic site (residue number reindexed from 1) F23 E29 H100 D103 W138 E231 K233 E267 H270 D295 D306 D308 D338
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
GO:0042843 D-xylose catabolic 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:4xkm, PDBe:4xkm, PDBj:4xkm
PDBsum4xkm
PubMed
UniProtQ8A9M2|XYLA_BACTN Xylose isomerase (Gene Name=xylA)

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