Structure of PDB 4k90 Chain A Binding Site BS03

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/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

4k90 Chain A Residue 703 [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)	N437 R438 T440 G442 N445
Binding residue (residue number reindexed from 1)	N192 R193 T195 G197 N200
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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