Structure of PDB 2ero Chain B Binding Site BS03

Receptor Information

>2ero Chain B (length=426) Species: 8730 (Crotalus atrox) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SNLTPEQQRYLNAKKYVKLFLVADYIMYLKYGRNLTAVRTRMYDIVNVIT
PIYHRMNIHVALVGLEIWSNTDKIIVQSSADVTLDLFAKWRATDLLSRKS
HDNAQLLTGINFNGPTAGLGYLGGICNTMYSAGIVQDHSKIHHLVAIAMA
HEMGHNLGMDHDKDTCTCGTRPCVMAGALSCEASFLFSDCSQKDHREFLI
KNMPQCILKKPLKTDVVSPAVCGNYFVEVGEECDCGSPRTCRDPCCDATT
CKLRQGAQCAEGLCCDQCRFKGAGTECRAAKDECDMADVCTGRSAECTDR
FQRNGQPCKNNNGYCYNGKCPIMADQCIALFGPGATVSQDACFQFNREGN
HYGYCRKEQNTKIACEPQDVKCGRLYCFPNSPENKNPCNIYYSPNDEDKG
MVLPGTKCADRKACSNGQCVDVTTPY

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

2ero Chain B Residue 702 [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	2ero Crystal structures of VAP1 reveal ADAMs' MDC domain architecture and its unique C-shaped scaffold
Resolution	2.5 Å
Binding residue (original residue number in PDB)	D469 M470 D472 D483 R484
Binding residue (residue number reindexed from 1)	D285 M286 D288 D299 R300
Annotation score	4

Enzymatic activity

Enzyme Commision number

3.4.24.-

Gene Ontology

	Molecular Function
GO:0004222	metalloendopeptidase activity
GO:0008237	metallopeptidase activity

	Biological Process
GO:0006508	proteolysis

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Molecular Function

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Biological Process

External links

PDB	RCSB:2ero, PDBe:2ero, PDBj:2ero
PDBsum	2ero
PubMed	16688218
UniProt	Q9DGB9\|VM3V1_CROAT Zinc metalloproteinase-disintegrin-like VAP1

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