Structure of PDB 7f98 Chain A

Receptor sequence

>7f98A (length=495) Species: 9606 (Homo sapiens)

GLEAKKEENLADWYSQVITKSEMIEYHDISGCYILRPWAYAIWEAIKDFF
DAEIKKLGVENCYFPMFVSQSALEKEKTHVADFAPEVAWVTRSGKTELAE
PIAIRPTSETVMYPAYAKWVQSHRDLPIKLNQWCNVVRWEFKHPQPFLRT
REFLWQEGHSAFATMEEAAEEVLQILDLYAQVYEELLAIPVVKGRKTEKE
KFAGGDYTTTIEAFISASGRAIQGGTSHHLGQNFSKMFEIVFEDPKIPGE
KQFAYQNSWGLTTRTIGVMTMVHGDNMGLVLPPRVACVQVVIIPCGITSE
EDKEALIAKCNDYRRRLLSVNIRVRADLRDNYSPGWKFNHWELKGVPIRL
EVGPRDMKSCQFVAVRRDTGEKLTVAENEAETKLQAILEDIQVTLFTRAS
EDLKTHMVVANTMEDFQKILDSGKIVQIPFCGEIDCEDWIKKTTARDQDL
EPGAPSMGAKSLCIPFKPLCELQPGAKCVCGKNPAKYYTLFGRSY

3D structure

• PDB: 7f98 Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
• Chain: A
• Resolution: 1.999 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	JE6	A	R1152 E1154 K1156 L1162 R1163 T1164 F1167 W1169 Q1237 G1239 T1276 R1278	R138 E140 K142 L148 R149 T150 F153 W155 Q223 G225 T262 R264
BS02	ZN	A	C1448 C1453 C1495 C1497	C431 C436 C478 C480
BS03	CA	A	D1096 E1100	D82 E86
BS04	CA	A	D1466 L1467	D449 L450
BS05	PRO	A	T1121 E1123 W1169 E1171 F1216 H1242 W1273 G1274	T107 E109 W155 E157 F202 H228 W259 G260

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:7f98, PDBe:7f98, PDBj:7f98
• PDBsum: 7f98
• PubMed: 36854028
• UniProt: P07814|SYEP_HUMAN Bifunctional glutamate/proline--tRNA ligase (Gene Name=EPRS1)