Structure of PDB 8gr7 Chain A Binding Site BS01

Receptor Information

>8gr7 Chain A (length=326) Species: 279009 (Antrodia cinnamomea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KQFTLPDLLAMCPFTGSTNPHYAKAAAESSAWVNSYNILSDRKRAFFVTG
SNELLVSHTYPYAGYEQFRTCCDFVNLLFVVDEVSDDQNGQDARQTGNVY
LNAMRDPAWDDGSALAKMTKEFRARLLRYAGPGCYRRFLKHCEDYVDAVA
REAEYRERGYVLDMASFETLRRENSAIRLCFGLFEYVLGVDLPEGVFEDP
VFMTLYWAAADMVCWSNDVYSYNMEQAKGHSGNNIVTVLMRQKNVDLQTA
SDLVGEHFATLMDRFVTAKGGLPSWSPSVDAAVSDYVRAMEYWVTGNLEW
SFETQRYFGVMHAEIKYTRLISLRER

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

8gr7 Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	8gr7 Characterization and Crystal Structures of a Cubebol-Producing Sesquiterpene Synthase from Antrodia cinnamomea .
Resolution	1.9 Å
Binding residue (original residue number in PDB)	N222 S226 E230
Binding residue (residue number reindexed from 1)	N217 S221 E225
Annotation score	4

External links

PDB	RCSB:8gr7, PDBe:8gr7, PDBj:8gr7
PDBsum	8gr7
PubMed	37566786

[Back to BioLiP]