Structure of PDB 1s99 Chain A Binding Site BS01

Receptor Information
>1s99 Chain A (length=186) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RIAGFRFSLYPMTDDFISVIKSALAATDTSKVWTKTDHISTVLRGSIDHV
FDAAKAIYLHAANSEQHIVMNGTFSIGCPGDTQGDTYLDKRVNEDAVRGL
KAEAPCQFALYPMNEPDYMGLIMEAVDIAKAQGTFVQGVHYASELDGDAH
DVFSTLEAVFRMAEQQTNHITMTVNLSANSPSRKNR
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 chain1s99 Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1s99 The Structure and Ligand Binding Properties of the B.subtilis YkoF Gene Product, a Member of a Novel Family of Thiamin/HMP-binding Proteins
Resolution1.65 Å
Binding residue
(original residue number in PDB)		A33 T35
Binding residue
(residue number reindexed from 1)		A25 T27
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030975 thiamine binding

View graph for
Molecular Function
External links
PDB RCSB:1s99, PDBe:1s99, PDBj:1s99
PDBsum1s99
PubMed15451668
UniProtO34911|YKOF_BACSU Putative HMP/thiamine-binding protein YkoF (Gene Name=ykoF)

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