Structure of PDB 2dw1 Chain A Binding Site BS01

Receptor Information

>2dw1 Chain A (length=415) Species: 8730 (Crotalus atrox) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

NPFRFVELVLVVDKAMVTKNNGDLDKIKTRMYEIVNTVNEIYRYMYIHVA
LVGLEIWSNEDKITVKPEAGYTLNAFGEWRKTDLLTRKKHDNAQLLTAID
LDRVIGLAYVGSMCHPKRSTGIIQDYSEINLVVAVIMAHEMGHNLGINHD
SGYCSCGDYACIMRPEISPEPSTFFSNCSYFECWDFIMNHNPECILNEPL
GTDIISPPVCGNELLEVGEECDCGTPENCQNECCDAATCKLKSGSQCGHG
DCCEQCKFSKSGTECRASMSECDPAEHCTGQSSECPADVFHKNGQPCLDN
YGYCYNGNCPIMYHQCYDLFGADVYEAEDSCFERNQKGNYYGYCRKENGN
KIPCAPEDVKCGRLYCKDNSPGQNNPCKMFYSNEDEHKGMVLPGTKCADG
KVCSNGHCVDVATAY

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

2dw1 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	2dw1 Crystal structures of catrocollastatin/VAP2B reveal a dynamic, modular architecture of ADAM/adamalysin/reprolysin family proteins
Resolution	2.5 Å
Binding residue (original residue number in PDB)	E201 D285 C388 N391
Binding residue (residue number reindexed from 1)	E7 D91 C194 N197
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:2dw1, PDBe:2dw1, PDBj:2dw1
PDBsum	2dw1
PubMed	17485084
UniProt	Q90282\|VM3VB_CROAT Zinc metalloproteinase-disintegrin-like VAP2B

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