Structure of PDB 9evv Chain A Binding Site BS01

Receptor Information
>9evv Chain A (length=575) Species: 386 (Rhizobium leguminosarum bv. trifolii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEWPRKLRSQEWYGGTSRDVIYHRGWLKNQGYPHDLFDGRPVIGILNTWS
DMTPCNGHLRELAEKVKAGVWEAGGFPLEVPVFSASENTFRPTAMMYRNL
AALAVEEAIRGQPMDGCVLLVGCDKTTPSLLMGAASCDLPSIVVTGGPML
NGYFRGERVGSGTHLWKFSEMVKAGEMTQAEFLEAEASMSRSSGTCNTMG
TASTMASMAEALGMALSGNAAIPGVDSRRKVMAQLTGRRIVQMVKDDLKP
SEIMTKQAFENAIRTNAAIGGSTNAVIHLLAIAGRVGIDLSLDDWDRCGR
DVPTIVNLMPSGKYLMEEFFYAGGLPVVLKRLGEAGLLHKDALTVSGETV
WDEVKDVVNWNEDVILPAEKALTSSGGIVVLRGNLAPKGAVLKPSAASPH
LLVHKGRAVVFEDIDDYKAKINDDNLDIDENCIMVMKNCGPKGYPGMAEV
GNMGLPPKVLKKGILDMVRISDARMSGTAYGTVVLHTSPEAAVGGPLAVV
KNGDMIELDVPNRRLHLDISDEELARRLAEWQPNHDLPTSGYAFLHQQHV
EGADTGADLDFLKGCRGNAVGKDSL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain9evv Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB9evv Unveiling the importance of the C-terminus in the sugar acid dehydratase of the IlvD/EDD superfamily.
Resolution2.44 Å
Binding residue
(original residue number in PDB)		E91 D128 K129 E453
Binding residue
(residue number reindexed from 1)		E87 D124 K125 E449
Annotation score1
External links
PDB RCSB:9evv, PDBe:9evv, PDBj:9evv
PDBsum9evv
PubMed39126499
UniProtB5ZZ34|ARAD_RHILW L-arabinonate dehydratase (Gene Name=araD)

[Back to BioLiP]