Structure of PDB 8uzh Chain B Binding Site BS01

Receptor Information
>8uzh Chain B (length=626) Species: 83332,559292 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKVSDGSSEIFFTTPAFAKGKESLRFLYDGIRIQTPEDLDMEDNDIIEAH
REVQGSHVEGGVVEHPDAKDFGSAAALPADPTWFKHAVFYEVLVRAFFDA
SADGSGDLRGLIDRLDYLQWLGIDCIWLPPFYDSPLRDGGYDIRDFYKVL
PEFGTVDDFVALVDAAHRRGIRIITDLVMNHTSESHPWFQESRRDPDGPY
GDYYVWSDTSERYTDARIIFVDTEESNWSFDPVRRQFYWHRFFSHQPDLN
YDNPAVQEAMIDVIRFWLGLGIDGFRLDAVPYLFEREGTNCENLPETHAF
LKRVRKVVDDEFPGRVLLAEANQWPGDVVEYFGDPNTGGDECHMAFHFPL
MPRIFMAVRRESRFPISEIIAQTPPIPDMAQWGIFLRNHDELTLEMVTDE
ERDYMYAEYAKDPRMKANVGIRRRLAPLLDNDRNQIELFTALLLSLPGSP
VLYYGDEIGMGDVIWLGDRDGVRIPMQWTPDRNAGFSTANPGRLYLPPSQ
DPVYGYQAVNVEAQRDTSTSLLNFTRTMLAVRRRHPAFAVGAFQELGGSN
PSVLAYVRQVAGDDGDTVLCVNNLSRFPQPIELDLQQWTNYTPVELTGHV
EFPRIGQVPYLLTLPGHGFYWFQLTT
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 chain8uzh Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8uzh Targeting Mycobacterium tuberculosis Persistence through Inhibition of the Trehalose Catalytic Shift.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		N234 D302 Y336 L337 E339
Binding residue
(residue number reindexed from 1)		N180 D248 Y282 L283 E285
Annotation score1
Enzymatic activity
Enzyme Commision number ?
3.2.1.1: alpha-amylase.
5.4.99.16: maltose alpha-D-glucosyltransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004556 alpha-amylase activity
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0016161 beta-amylase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0016853 isomerase activity
GO:0031386 protein tag activity
GO:0042802 identical protein binding
GO:0044389 ubiquitin-like protein ligase binding
GO:0046872 metal ion binding
GO:0047471 maltose alpha-D-glucosyltransferase activity
Biological Process
GO:0000023 maltose metabolic process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process
GO:0005977 glycogen metabolic process
GO:0005978 glycogen biosynthetic process
GO:0005991 trehalose metabolic process
GO:0005992 trehalose biosynthetic process
GO:0016925 protein sumoylation
GO:0045227 capsule polysaccharide biosynthetic process
Cellular Component
GO:0000794 condensed nuclear chromosome
GO:0005634 nucleus
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0005940 septin ring

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8uzh, PDBe:8uzh, PDBj:8uzh
PDBsum8uzh
PubMed38485491
UniProtP9WQ19|TRES_MYCTU Trehalose synthase/amylase TreS (Gene Name=treS);
Q12306|SMT3_YEAST Ubiquitin-like protein SMT3 (Gene Name=SMT3)

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