Structure of PDB 4gfi Chain B Binding Site BS02

Receptor Information
>4gfi Chain B (length=326) Species: 176299 (Agrobacterium fabrum str. C58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRYLQATTERFAVAGSFTISRGTRTHADVVTCTIRDGSFTGIGECVPYPR
YGESIEGVTADIEAMADRVAAGLTRQELQQVMKPGAARNAVDCALWDLEA
KMSGKRAAEQVLGQPAQPLVTAYTISLADPDTMAAKTAENAGRPLLKIKT
GTADDEARLRAVRAAAPEARIIIDANEGWNDDNIEYYLKLAAELKISLIE
QPLPAGKDAMLARIEHPVLICADESVHSTEDLAGLRDRYDAINIKLDKTG
GLTEALVMKAEAERLGFTIMVGCMLGTSLGMAPAVLVAQGTAFADLDGPL
LLAEDRDPGLVYEGSLVYPARPELWG
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 chain4gfi Chain B Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4gfi Crystal structure of EFI-502318, an enolase family member from Agrobacterium tumefaciens with homology to dipeptide epimerases (bound sodium, l-ala-l-glu with ordered loop)
Resolution1.9 Å
Binding residue
(original residue number in PDB)		F18 Y49 K150 D175 D224 K246 C274
Binding residue
(residue number reindexed from 1)		F17 Y48 K149 D174 D223 K245 C273
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) F18 T125 K148 K150 D175 L199 E201 C222 D224 K246 C274 D296
Catalytic site (residue number reindexed from 1) F17 T124 K147 K149 D174 L198 E200 C221 D223 K245 C273 D295
Enzyme Commision number 5.1.1.-
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0016854 racemase and epimerase activity
GO:0016855 racemase and epimerase activity, acting on amino acids and derivatives
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4gfi, PDBe:4gfi, PDBj:4gfi
PDBsum4gfi
PubMed
UniProtA9CIT6

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