Structure of PDB 1qt1 Chain B Binding Site BS01

Receptor Information
>1qt1 Chain B (length=387) Species: 1956 (Streptomyces diastaticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYQPTPEDKFTFGLWTVGWQGRDPFGDATRGALDPAESVRRLAELGAHGV
TFHDDDLIPFGATDSERAEHIKRFRQGLDETGMKVPMATTNLFTHPVFKD
GGFTANDRDVRRYALRKTIRNIDLAVELGAQTYVAWGGREGAESGAAKDV
RVALDRMKEAFDLLGEYVTSQGYDTPFAIEPKPNEPRGDILLPTIGHALA
FIDGLERPELYGVNPEVGHEQMAGLNFPHGIAQALWAGKLFHIDLNGQSG
IKYDQDLRFGPGDLRAAFWLVDLLESAGYEGPRHFDFKPPRTEDFDGVWA
SAAGCMRNYLILKERAAAFRADPEVQEALRAARLDELAQPTAGDGLQALL
PDRSAFEDFDPDAAAARGMAFERLDQLAMDHLLGARG
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain1qt1 Chain B Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qt1 Structure of xylose isomerase from Streptomyces diastaticus no. 7 strain M1033 at 1.85 A resolution.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		E680 E716 D744 D786
Binding residue
(residue number reindexed from 1)		E180 E216 D244 D286
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H553 D556 M587 E680 K682 E716 H719 D744 D754 D756 D786
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:1qt1, PDBe:1qt1, PDBj:1qt1
PDBsum1qt1
PubMed10666592
UniProtP50910|XYLA_STRDI Xylose isomerase (Gene Name=xylA)

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