Structure of PDB 3va8 Chain A Binding Site BS01

Receptor Information

>3va8 Chain A (length=427) Species: 5518 (Fusarium graminearum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

NLYFQSMSQRSIIKEIVITPVAFHDMPLLNSVGVHEPFALRSIIEIITED
SYGLGESYGDSAHLDRLQKAADKIKGLSVYSTNVIYQRCVESLRNDTNGD
GMGGMVVTASVADKVFSPFEVACLDLQGKLAGISVSDLLGGRVRDSVQYS
AYLFYKWGGHPGDEDDEYGPALDPEGVVKQAKKIIDEYGFKAIKLKGGVF
PPADEVAAIKALHKAFPGVPLRLDPNAAWTVETSKWVAKELEGIVEYLED
PAGEIEGMAAVAKEASMPLATNMAVVAFDHLPPSILQDAVQVILSDHHFW
GGLRKSQTLASICATWGLRLSMHSNSHLGISLAAMTHLASATPNLDYACD
THWPWKRRDEDVVIEGALKWKDGGVIVPSGPGLGVELDRERLAKLHQQYV
DCGLKKRDDTTYMKRFKPEFSEKIPRW

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mg+2]
CACTVS 3.341	[Mg++]

Formula

Name

MAGNESIUM ION

PDB chain

3va8 Chain A Residue 425 [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	3va8 Crystal structure of dehydratase FG03645.1 from Gibberella zeae PH-1
Resolution	2.0 Å
Binding residue (original residue number in PDB)	D220 E245 N268
Binding residue (residue number reindexed from 1)	D224 E249 N272
Annotation score	4

External links

PDB	RCSB:3va8, PDBe:3va8, PDBj:3va8
PDBsum	3va8
PubMed

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