Structure of PDB 1u4g Chain A Binding Site BS02

Receptor Information

>1u4g Chain A (length=298) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AEAGGPGGNQKIGKYTYGSDYGPLIVNDRCEMDDGNVITVDMNSSTDDSK
TTPFRFACPTNTYKQVNGAYSPLNDAHFFGGVVFKLYRDWFGTSPLTHKL
YMKVHYGRSVENAYWDGTAMLFGDGATMFYPLVSLDVAAHEVSHGFTEQN
SGLIYRGQSGGMNEAFSDMAGEAAEFYMRGKNDFLIGYDIKKGSGALRYM
DQPSRDGRSIDNASQYYNGIDVHHSSGVYNRAFYLLANSPGWDTRKAFEV
FVDANRYYWTATSNYNSGACGVIRSAQNRNYSAADVTRAFSTVGVTCP

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

1u4g 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	1u4g Structural comparison suggests that thermolysin and related neutral proteases undergo hinge-bending motion during catalysis
Resolution	1.4 Å
Binding residue (original residue number in PDB)	D136 E172 E175 D183 L185
Binding residue (residue number reindexed from 1)	D136 E172 E175 D183 L185
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	H140 E141 H144 Y155 E164 D221 H223
Catalytic site (residue number reindexed from 1)	H140 E141 H144 Y155 E164 D221 H223
Enzyme Commision number	3.4.24.26: pseudolysin.

Gene Ontology

	Molecular Function
GO:0004222	metalloendopeptidase activity

	Biological Process
GO:0006508	proteolysis

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Molecular Function

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Biological Process

External links

PDB	RCSB:1u4g, PDBe:1u4g, PDBj:1u4g
PDBsum	1u4g
PubMed
UniProt	P14756\|ELAS_PSEAE Elastase (Gene Name=lasB)

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