Structure of PDB 4ne7 Chain A Binding Site BS01

Receptor Information

>4ne7 Chain A (length=356) Species: 192387 (Alicyclobacillus sendaiensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PTAYTPLDVAQAYQFPEGLDGQGQCIAIIELGGGYDEASLAQYFASLGVP
APQVVSVSVDGASNQPTGDPKGPDGEVELDIEVAGALAPGAKFAVYFAPD
TTAGFLDAITTAIHDPTLKPSVVSISWSGPEDSWTSAAIAAMNRAFLDAA
ALGVTVLAAAGDSGSTGGEQDGLYHVHFPAASPYVLACGGTRLVASGGRI
AQETVWNDGPDGGATGGGVSRIFPLPAWQEHANVPPSANPGASSGRGVPD
LAGNADPATGYEVVIDGEATVIGGTSAVAPLFAALVARINQKLGKAVGYL
NPTLYQLPADVFHDITEGNNDIANRAQIYQAGPGWDPCTGLGSPIGVRLL
QALLPS

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

4ne7 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	4ne7 Northeast Structural Genomics Consortium Target OR367
Resolution	2.497 Å
Binding residue (original residue number in PDB)	D316 I317 G334 G336 D338
Binding residue (residue number reindexed from 1)	D314 I315 G332 G334 D336
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	E78 D82 D164 S278
Catalytic site (residue number reindexed from 1)	E76 D80 D162 S276
Enzyme Commision number	?

Gene Ontology

	Molecular Function
GO:0004252	serine-type endopeptidase activity
GO:0008236	serine-type peptidase activity

	Biological Process
GO:0006508	proteolysis

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Molecular Function

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Biological Process

External links

PDB	RCSB:4ne7, PDBe:4ne7, PDBj:4ne7
PDBsum	4ne7
PubMed
UniProt	Q8GB88

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