Structure of PDB 4gbd Chain B Binding Site BS02

Receptor Information

>4gbd Chain B (length=434) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PFDLLLLPTWIVPVEPAGVVLRDHALGIRDGQIALVAPREQAMRHGATEI
RELPGMLLAPGLVNAHGHSAMSLFRGLADDLPLMTWLQDHIWPAEGQWVS
EDFIRDGTELAIAEQVKGGITCFSDMYFYPQAICGVVHDSGVRAQVAIPV
LDFPIPGARDSAEAIRQGMALFDDLKHHPRIRIAFGPHAPYTVSDDKLEQ
ILVLTEELDASIQMHVHETAFEVEQAMERNGERPLARLHRLGLLGPRFQA
VHMTQVDNDDLAMLVETNSSVIHCPESNLKLASGFCPVEKLWQAGVNVAI
GTDGAASNNDLDLLGETRTAALLAKAVYGQATALDAHRALRMATLNGARA
LGLERLIGSLEAGKAADLVAFDLSGLAQQPVYDPVSQLIYASGRDCVRHV
WVGGRQLLDDGRLLRHDEQRLIARAREWGAKIAA

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

4gbd Chain B Residue 502 [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	4gbd Methylthioadenosine deaminase in an alternative quorum sensing pathway in Pseudomonas aeruginosa.
Resolution	1.975 Å
Binding residue (original residue number in PDB)	H72 H74 H221 D309
Binding residue (residue number reindexed from 1)	H66 H68 H215 D303
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0004000	adenosine deaminase activity
GO:0016787	hydrolase activity
GO:0016810	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0046872	metal ion binding
GO:0090614	5'-methylthioadenosine deaminase activity

View graph for
Molecular Function

External links

PDB	RCSB:4gbd, PDBe:4gbd, PDBj:4gbd
PDBsum	4gbd
PubMed	23050701
UniProt	Q9HZ64

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