Structure of PDB 4gri Chain B Binding Site BS02

Receptor Information
>4gri Chain B (length=485) Species: 224326 (Borreliella burgdorferi B31) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STRVRYAPSPTGLQHIGGIRTALFNYFFAKSCGGKFLLRIEDTDQSRYSP
EAENDLYSSLKWLGISFDEGPVVGGDYAPYVQSQRSAIYKQYAKYLIESG
HAYYCYCSPERLERIKKIQNINKMPPGYDRHCRNLSNEEVENALIKKIKP
VVRFKIPLEGDTSFDDILLGRITWANKDISPDPVILKSDGLPTYHLANVV
DDYLMKITHVLRAQEWVSSGPLHVLLYKAFKWKPPIYCHLPMVMGNDGQK
LSKRHGSTALRQFIEDGYLPEAIINYVTLLGWSYDDKREFFSKNDLEQFF
SIEKINKSPAIFDYHKLDFFNSYYIREKKDEDLFNLLLPFFQKKGYVSKP
STLEENQKLKLLIPLIKSRIKKLSDALNMTKFFYEDIKSWNLDEFLSRKK
TAKEVCSILELIKPILEGFEKRSSEENDKIFYDFAESNLGEILLPIRIAA
LGSKVSPPLFDSLKLIGKSKVFERIKLAQEFLRIN
Ligand information
Ligand IDGLU
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKeyWHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)=O)C(O)=O
FormulaC5 H9 N O4
NameGLUTAMIC ACID
ChEMBLCHEMBL575060
DrugBankDB00142
ZINCZINC000001482113
PDB chain4gri Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4gri Ligand co-crystallization of aminoacyl-tRNA synthetases from infectious disease organisms.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		R7 A9 S11 E43 Y196 R214 W218
Binding residue
(residue number reindexed from 1)		R5 A7 S9 E41 Y194 R212 W216
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) S11 K255
Catalytic site (residue number reindexed from 1) S9 K253
Enzyme Commision number 6.1.1.17: glutamate--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004818 glutamate-tRNA ligase activity
GO:0005524 ATP binding
GO:0008270 zinc ion binding
Biological Process
GO:0006412 translation
GO:0006424 glutamyl-tRNA aminoacylation
GO:0043039 tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4gri, PDBe:4gri, PDBj:4gri
PDBsum4gri
PubMed28303005
UniProtO51345|SYE_BORBU Glutamate--tRNA ligase (Gene Name=gltX)

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