Structure of PDB 1xym Chain B Binding Site BS02

Receptor Information
>1xym Chain B (length=386) Species: 1963 (Streptomyces olivochromogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYQPTPEDRFTFGLWTVGWQGRDPFGDATRPALDPVETVQRLAELGAHGV
TFHDDDLIPFGSSDTERESHIKRFRQALDATGMTVPMATTNLFTHPVFKD
GGFTANDRDVRRYALRKTIRNIDLAVELGAKTYVAWGGREGAESGAAKDV
RVALDRMKEAFDLLGEYVTSQGYDTRFAIKPKPNEPRGDILLPTVGHALA
FIERLERPELYGVNPEVGHEQMAGLNFPHGIAQALWAGKLFHIDLNGQSG
IKYDQDLRFGAGDLRAAFWLVDLLESAGYEGPRHFDFKPPRTEDIDGVWA
SAAGCMRNYLILKERAAAFRADPEVQEALRASRLDELAQPTAADGVQELL
ADRTAFEDFDVDAAAARGMAFERLDQLAMDHLLGAR
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain1xym Chain B Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xym Role of the divalent metal ion in sugar binding, ring opening, and isomerization by D-xylose isomerase: replacement of a catalytic metal by an amino acid.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		E716 H719 D754 D756
Binding residue
(residue number reindexed from 1)		E216 H219 D254 D256
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H553 D556 M587 K680 K682 E716 H719 D744 D754 D756 D786
Catalytic site (residue number reindexed from 1) H53 D56 M87 K180 K182 E216 H219 D244 D254 D256 D286
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1xym, PDBe:1xym, PDBj:1xym
PDBsum1xym
PubMed7906142
UniProtP15587|XYLA_STROL Xylose isomerase (Gene Name=xylA)

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