Structure of PDB 5xtl Chain A Binding Site BS02

Receptor Information
>5xtl Chain A (length=675) Species: 322104 (Scheffersomyces stipitis CBS 6054) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVDQKAISTIRLLAVDAVAAANSGHPGAPLGLAPAAHAVFKKMRFNPKDT
KWINRDRFVLSNGHACALLYSMLVLYGYDLTVEDLKKFRQLGSKTPGHPE
NTDVPGAEVTTGPLGQGICNGVGIALAQAQFAATYNKPDFPISDSYTYVF
LGDGCLMEGVSSEASSLAGHLQLGNLIAFWDDNKISIDGSTEVAFTEDVI
ARYKSYGWHIVEVSDADTDITAIAAAIDEAKKVTNKPTLVRLTTTIGFGS
LAQGTHGVHGAPLKADDIKQLKTKWGFNPEESFAVPAEVTASYNEHVAEN
QKIQQQWNELFAAYKQKYPELGAELQRRLDGKLPENWDKALPVYTPADAA
VATRKLSEIVLSKIIPEVPEIIGGSADLTPSNLTKAKGTVDFQPAATGLG
DYSGRYIRYGVREHAMGAIMNGIAAFGANYKNYGGTFLNFVSYAAGAVRL
SALSEFPITWVATHDSIGLGEDGPTHQPIETLAHFRATPNISVWRPADGN
ETSAAYKSAIESTHTPHILALTRQNLPQLEGSSIEKASKGGYTLVQQDKA
DIIIVATGSEVSLAVDALKVLEGQGIKAGVVSLPDQLTFDKQSEEYKLSV
LPDGVPILSVEVMSTFGWSKYSHQQFGLNRFGASGKAPEIFKLFEFTPEG
VAERAAKTVAFYKGKDVVSPLRSAF
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5xtl Chain A Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xtl The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Resolution1.101 Å
Binding residue
(original residue number in PDB)		D155 N185 I187
Binding residue
(residue number reindexed from 1)		D153 N183 I185
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H27 I248 H261 E415 H478
Catalytic site (residue number reindexed from 1) H25 I246 H259 E413 H476
Enzyme Commision number 2.2.1.1: transketolase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004802 transketolase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006098 pentose-phosphate shunt
Cellular Component
GO:0005634 nucleus
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5xtl, PDBe:5xtl, PDBj:5xtl
PDBsum5xtl
PubMed29243887
UniProtP34736|TKT_PICST Transketolase (Gene Name=TKT)

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