Structure of PDB 4k90 Chain A Binding Site BS01

Receptor Information

>4k90 Chain A (length=389) Species: 330879 (Aspergillus fumigatus Af293) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ADYQVYAWGINDPTEGERTVIKDPWDSVASEFTWISDGSTNYTTSRGNNG
IAQSNPSGGPSYLNNYRPSSSSLSFKYPYSVSSSPPSSYIDASIIQLFYT
ANIYHDLLYTLGFTEKAGNFEYNTNGQGGLGNDYVILNAQDGSGTNNANF
ATPPDGQPGRMRMYVWTESTPYRDGSFEAGIVIHEYTHGLSNRLTGGPAN
SNCLNALESGGMGEGWSDFMATAIRLKPGDKRSTDYTMGEWASNRAGGIR
QYPYSTSLSTNPLTYTSVNSLNAVHAIGTVWASMLYEVLWNLIDKHGKND
APKPTLRDGVPTDGKYLAMKLVMDGMALQPCNPNFVQARDAILDADTALT
GGENQCEIWTAFAKRGLGAGAKYSSRNRVGSTEVPSGVC

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

4k90 Chain A Residue 701 [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	4k90 A functional and structural study of the major metalloprotease secreted by the pathogenic fungus Aspergillus fumigatus.
Resolution	1.8 Å
Binding residue (original residue number in PDB)	H429 H433 E459
Binding residue (residue number reindexed from 1)	H184 H188 E214
Annotation score	4

Enzymatic activity

Enzyme Commision number

3.4.24.-

Gene Ontology

	Molecular Function
GO:0004222	metalloendopeptidase activity
GO:0008270	zinc ion binding

	Cellular Component
GO:0005615	extracellular space

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Molecular Function

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Cellular Component

External links

PDB	RCSB:4k90, PDBe:4k90, PDBj:4k90
PDBsum	4k90
PubMed	24100314
UniProt	P46075\|ELM_ASPFU Extracellular metalloproteinase mep (Gene Name=mep)

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