Structure of PDB 7ot2 Chain A

Receptor sequence

>7ot2A (length=498) Species: 9606 (Homo sapiens)

GLEAKKEENLADWYSQVITKSEMIEYHDISGCYILRPWAYAIWEAIKDFF
DAEIKKLGVENCYFPMFVSQSALEKEKTHVADFAPEVAWVTRSGKTELAE
PIAIRPTSETVMYPAYAKWVQSHRDLPIKLNQWCNVVRWEFKHPQPFLRT
REFLWQEGHSAFATMEEAAEEVLQILDLYAQVYEELLAIPVVKGRKTEKE
KFAGGDYTTTIEAFISASGRAIQGGTSHHLGQNFSKMFEIVFEDPKIPGE
KQFAYQNSWGLTTRTIGVMTMVHGDNMGLVLPPRVACVQVVIIPCGITNA
LSEEDKEALIAKCNDYRRRLLSVNIRVRADLRDNYSPGWKFNHWELKGVP
IRLEVGPRDMKSCQFVAVRRDTGEKLTVAENEAETKLQAILEDIQVTLFT
RASEDLKTHMVVANTMEDFQKILDSGKIVQIPFCGEIDCEDWIKKTTARD
QDLEPGAPSMGAKSLCIPFKPLCELQPGAKCVCGKNPAKYYTLFGRSY

3D structure

• PDB: 7ot2 Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies.
• Chain: A
• Resolution: 2.48 Å

Enzymatic activity

• Enzyme Commision number: 6.1.1.15: proline--tRNA ligase.
  6.1.1.17: glutamate--tRNA ligase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	PRO	A	T1121 E1123 W1169 E1171 F1216 H1242 S1272 W1273 G1274	T107 E109 W155 E157 F202 H228 S258 W259 G260
BS02	1FI	A	E1154 F1161 L1162 R1163 T1164 F1167 W1169 Q1237 G1238 G1239 T1276 R1278	E140 F147 L148 R149 T150 F153 W155 Q223 G224 G225 T262 R264
BS03	ZN	A	C1448 C1453 C1495	C434 C439 C481

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

External links

• PDB: RCSB:7ot2, PDBe:7ot2, PDBj:7ot2
• PDBsum: 7ot2
• PubMed: 34360555
• UniProt: P07814|SYEP_HUMAN Bifunctional glutamate/proline--tRNA ligase (Gene Name=EPRS1)