Structure of PDB 7y9g Chain A Binding Site BS02
Receptor Information
>7y9g Chain A (length=344) Species:
54571
(Streptomyces venezuelae) [
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PGEFFLPPLPRLLPAGYHPDAARIEIASNGWVRRMLADCFDSEESLLFFL
RQRNGIYGPLTVPYAEADRAQNIADWYQFVTVIDSFVSDEAALGADHAAA
AETFAAVVADLREGGAGGPAASLYGRAAQDLWRRIAAGMSARQVDRLVAA
LEAFLRGCAEEIRSKLDKQVPHFEACMRVRVDSFGCEFLELLTEYAAEVD
MSRAATEGLFDEVHHHGMRQLILVNDLLSWRKEYAQRDTMTTVRVLCEVE
GLELQDAVDRLCALVEHHERAYITARDAVLAGPHGHREDVRAYLSGLDHL
IGGSQEFEYLTPRYFGDGSVWDGSTSGWISLTASVARFRDAPAP
Ligand information
Ligand ID
MG
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
Mg
Name
MAGNESIUM ION
ChEMBL
DrugBank
DB01378
ZINC
PDB chain
7y9g Chain A Residue 404 [
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Receptor-Ligand Complex Structure
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PDB
7y9g
Molecular insights into the catalytic promiscuity of a bacterial diterpene synthase.
Resolution
2.18 Å
Binding residue
(original residue number in PDB)
N256 S260 E264
Binding residue
(residue number reindexed from 1)
N225 S229 E233
Annotation score
4
External links
PDB
RCSB:7y9g
,
PDBe:7y9g
,
PDBj:7y9g
PDBsum
7y9g
PubMed
37414771
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