Structure of PDB 6nab Chain A Binding Site BS02

Receptor Information
>6nab Chain A (length=496) Species: 5763 (Naegleria fowleri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EGIDVKKQENFSEWYSQVITKSEFLDYYDVSGCYIFRPNCWFVWESVQKF
FDAEIKKLGVQNVMFPLFVTKRALETEKDHVEGFSPEVAWVTKSGNSDLQ
EPIALRPTSETIMYPSYAKWIQSHRDLPLKLNQWTNVVRWEFKHAVPFIR
SREFYWQEGHSAFKSKEEADEEVFTILELYKRVYEELLAVPVIKGTKTEN
EKFAGADYTTTVETFIATNGRAVQGGTSHHLGQNFSKMFKIQFEAENKET
QFAYQNSWGLSTRTLGVMIMVHGDDKGMVLPPRVAFCQVVVIPLIDNATL
VEKTKEIYNELEKAGIRVKLDDRRTPGWKYNYWELRGVPLRIEVGPKDLE
KQQIMLCRRDTGEKWTMPLSEFSGDSIKAVLDKIHDSMLNKARKEMNERI
VVTRTWPEFIKALNSGNMCLIPWHESKAAEEYIKEKSKLESVQSQSDANT
GLTGAAKSLCVPLDQSSFPSLEGLENFYPEEAHKKPNCWALFGRSY
Ligand information
Ligand IDPRO
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCN1
CACTVS 3.341OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)O
ACDLabs 10.04O=C(O)C1NCCC1
FormulaC5 H9 N O2
NamePROLINE
ChEMBLCHEMBL54922
DrugBankDB00172
ZINCZINC000000895360
PDB chain6nab Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6nab Crystal structure of prolyl-tRNA synthetase from Naegleria fowleri in complex with proline and adenosine monophophsphate (AMP)
Resolution2.0 Å
Binding residue
(original residue number in PDB)		T111 E113 W159 E161 F206 H232 S260 W261 G262
Binding residue
(residue number reindexed from 1)		T108 E110 W156 E158 F203 H229 S257 W258 G259
Annotation score5
Enzymatic activity
Enzyme Commision number 6.1.1.15: proline--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004827 proline-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006418 tRNA aminoacylation for protein translation
GO:0006433 prolyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm
GO:0017101 aminoacyl-tRNA synthetase multienzyme complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6nab, PDBe:6nab, PDBj:6nab
PDBsum6nab
PubMed
UniProtA0A4V8H034

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