Structure of PDB 6twm Chain I Binding Site BS01

Receptor Information

>6twm Chain I (length=326) Species: 246200 (Ruegeria pomeroyi DSS-3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KNPISPTIPLDRDGVFHGFLKLPHSRDDSAWGSVMIPLTVIKNGAGPTAL
LTGANHGDEYEGPVALHELAATTSAEDVTGRLIIVPAFNYPAFRAGSRTS
PIDRGNLNRSFPGRPDGTVTEKIADYFQRTLLPMADLAVDFHSGGKTLDF
VPFAAAHILEDKATQAACFAAMKAFNAPYSVELLEIDSAGMYDTAVEEMG
KVLVTTELGGGGSSSARSNAIAKKGLRNVLIHAGILKGEMQLDETVNLTM
PDDDCFVFSEGDGLFEMMIDLGAPVAKGDLLARVWPLDRTGQPPVEYRAR
RAGLVISRHFPGLIKSGDCVAVVGVT

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

6twm Chain I Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6twm Degradation of the microbial stress protectants and chemical chaperones ectoine and hydroxyectoine by a bacterial hydrolase-deacetylase complex.
Resolution	2.5 Å
Binding residue (original residue number in PDB)	H58 E61 H144
Binding residue (residue number reindexed from 1)	H56 E59 H142
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0003674	molecular_function
GO:0016787	hydrolase activity
GO:0016788	hydrolase activity, acting on ester bonds
GO:0016811	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
GO:0046872	metal ion binding

	Biological Process
GO:0008150	biological_process

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Molecular Function

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Biological Process

External links

PDB	RCSB:6twm, PDBe:6twm, PDBj:6twm
PDBsum	6twm
PubMed	32404365
UniProt	Q5LUB5

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