Structure of PDB 1ibq Chain A Binding Site BS03

Receptor Information

>1ibq Chain A (length=325) Species: 5063 (Aspergillus phoenicis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SKGSAVTTPQNNDEEYLTPVTVGKSTLHLDFDTGSADLWVFSDELPSSEQ
TGHDLYTPSSSATKLSGYSWDISYGDGSSASGDVYRDTVTVGGVTTNKQA
VEAASKISSEFVQDTANDGLLGLAFSSINTVQPKAQTTFFDTVKSQLDSP
LFAVQLKHDAPGVYDFGYIDDSKYTGSITYTDADSSQGYWGFSTDGYSIG
DGSSSSSGFSAIADTGTTLILLDDEIVSAYYEQVSGAQESYEAGGYVFSC
STDLPDFTVVIGDYKAVVPGKYINYAPVSTGSSTCYGGIQSNSGLGLSIL
GDVFLKSQYVVFNSEGPKLGFAAQA

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

1ibq Chain A Residue 1457 [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	1ibq Structure of aspergillopepsin I from Aspergillus phoenicis: variations of the S1'-S2 subsite in aspartic proteinases.
Resolution	2.14 Å
Binding residue (original residue number in PDB)	D32 D214
Binding residue (residue number reindexed from 1)	D32 D214
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	D32 S35 D37 W39 Y74 D214 T217
Catalytic site (residue number reindexed from 1)	D32 S35 D37 W39 Y74 D214 T217
Enzyme Commision number	3.4.23.18: aspergillopepsin I.

Gene Ontology

	Molecular Function
GO:0004190	aspartic-type endopeptidase activity

	Biological Process
GO:0006508	proteolysis

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Molecular Function

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Biological Process

External links

PDB	RCSB:1ibq, PDBe:1ibq, PDBj:1ibq
PDBsum	1ibq
PubMed	11418762
UniProt	Q12567\|PEPA_ASPPH Aspergillopepsin-1 (Gene Name=pepA)

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