Structure of PDB 4gw3 Chain A Binding Site BS01

Receptor Information

>4gw3 Chain A (length=284) Species: 584 (Proteus mirabilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

STKYPIVLVHGLAGFNEIVGFPYFYGIADALRQDGHQVFTASLSAFNSNE
VRGKQLWQFVQTLLQETQAKKVNFIGHSQGPLACRYVAANYPDSVASVTS
INGVNHGSEIADLYRRIMRKDSIPEYIVEKVLNAFGTIISTFSGHDPQDA
IAALESLTTEQVTEFNNKYPQALPKTPGGEGDEIVNGVHYYCFGSYIQGL
IAGEKGNLLDPTHAAMRVLNTFFTEKQNDGLVGRSSMRLGKLIKDDYAQD
HIDMVNQVAGLVGYNEDIVAIYTQHAKYLASKQL

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

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

Formula

Name

CALCIUM ION

PDB chain

4gw3 Chain A 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	4gw3 Crystal Structure of Proteus mirabilis Lipase, a Novel Lipase from the Proteus/Psychrophilic Subfamily of Lipase Family I.1.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	N210 D213 D256 Q260 L264
Binding residue (residue number reindexed from 1)	N207 D210 D253 Q257 L261
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	L13 S79 Q80 D213 D232 H254 D256 Q260 L264
Catalytic site (residue number reindexed from 1)	L12 S78 Q79 D210 D229 H251 D253 Q257 L261
Enzyme Commision number	3.1.1.3: triacylglycerol lipase.

Gene Ontology

	Molecular Function
GO:0004806	triacylglycerol lipase activity
GO:0016787	hydrolase activity
GO:0046872	metal ion binding

View graph for
Molecular Function

External links

PDB	RCSB:4gw3, PDBe:4gw3, PDBj:4gw3
PDBsum	4gw3
PubMed	23300806
UniProt	B4EVM3

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