Structure of PDB 4s1c Chain D Binding Site BS01

Receptor Information

>4s1c Chain D (length=208) Species: 169963 (Listeria monocytogenes EGD-e) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

NHPLLKKILMKAPGTYHHSMMVANLAEACADKIGANSLLVRVGCFYHDIG
KTLRPPYFVENQLQGINPHDRLTPEQSRDIILSHTKDGAEILKENHMPQP
IIDIALQHHGTTLLKYFYFKAKDVKEADYRYSGPKPQTKEIAIINISDSV
EAAVRSSTEPTMAKITEIIDGIIKDRFLDGQFTECDITIQEIKIIRDTLI
ATLNGIYH

Ligand information

Ligand ID

InChI

InChI=1S/Fe/q+3

InChIKey

VTLYFUHAOXGGBS-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Fe+3]

Formula

Name

FE (III) ION

PDB chain

4s1c Chain D Residue 801 [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	4s1c An HD-domain phosphodiesterase mediates cooperative hydrolysis of c-di-AMP to affect bacterial growth and virulence.
Resolution	2.398 Å
Binding residue (original residue number in PDB)	D544 H580 H604 H605
Binding residue (residue number reindexed from 1)	D48 H84 H108 H109
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:4s1c, PDBe:4s1c, PDBj:4s1c
PDBsum	4s1c
PubMed	25583510
UniProt	Q8Y746

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