Structure of PDB 9evv Chain D Binding Site BS03

Receptor Information
>9evv Chain D (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 ID2KT
InChIInChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
InChIKeyTYEYBOSBBBHJIV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCC(=O)C(O)=O
ACDLabs 12.01O=C(C(=O)O)CC
OpenEye OEToolkits 1.7.0CCC(=O)C(=O)O
FormulaC4 H6 O3
Name2-KETOBUTYRIC ACID;
2-OXOBUTANOIC ACID
ChEMBLCHEMBL171246
DrugBankDB04553
ZINCZINC000001532540
PDB chain9evv Chain D Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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 T205 E453 S480 G481
Binding residue
(residue number reindexed from 1)		E87 D124 T201 E449 S476 G477
Annotation score2
External links
PDB RCSB:9evv, PDBe:9evv, PDBj:9evv
PDBsum9evv
PubMed39126499
UniProtB5ZZ34|ARAD_RHILW L-arabinonate dehydratase (Gene Name=araD)

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