Structure of PDB 1clk Chain A Binding Site BS01

Receptor Information
>1clk Chain A (length=387) Species: 1956 (Streptomyces diastaticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYQPTPEDKFTFGLWTVGWQGRDPFGDATRGALDPAESVRRLAELGAHGV
TFHDDDLIPFGATDSERAEHIKRFRQALDETGMKVPMATTNLFTHPVFKD
GGFTANDRDVRRYALRKTIRNIDLAVELGAQTYVAWGGREGAESGAAKDV
RVALDRMKEAFDLLGEYVTSQGYDTPFAIEPKPNEPRGDILLPTIGHALA
FIDGLERPELYGVNPEVGHEQMAGLNFPHGIAQALWAGKLFHIDLNGQSG
IKYDQDLRFGPGDLRAAFWLVDLLESAGYEGPRHFDFKPPRTEDFDGVWA
SAAGCMRNYLILKERAAAFRADPEVQEALRAARLDELAQPTAGDGLQALL
PDRSAFEDFDPDAAAARGMAFERLDQLAMDHLLGARG
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 chain1clk Chain A Residue 780 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1clk Structure of xylose isomerase from Streptomyces diastaticus no. 7 strain M1033 at 1.85 A resolution.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E180 E216 D244 D286
Binding residue
(residue number reindexed from 1)		E180 E216 D244 D286
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H53 D56 M87 E180 K182 E216 H219 D244 D254 D256 D286
Catalytic site (residue number reindexed from 1) H53 D56 M87 E180 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:1clk, PDBe:1clk, PDBj:1clk
PDBsum1clk
PubMed10666592
UniProtP50910|XYLA_STRDI Xylose isomerase (Gene Name=xylA)

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