BioLiP

Structure of PDB 4wi1 Chain A

Receptor sequence

>4wi1A (length=440) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence]

AHHHHHHSNILGITSKKIENFSDWYTQVIVKSELIEYYGCYILRPAAYYI
WECVQAFFNKEIKKLNVENSYFPLFVTSETIMYSVFPKWIRSYRDLPLKL
NQWNTVREFLWQEGHTAHKNEEEAVKLVFDILDLYRRWYEEYLAVPIIKG
IKSEGEKFGGANFTSTAEAFISENGRAIQAATSHYLGTNFAKMFKIEFED
ENEVKQYVHQTSWGCTTRSIGIMIMTHGDDKGLVLPPNVSKYKVVIVPIF
YKTTDENAIHSYCKDIEKILKNAQINCVYDDRASYSPGYKFNHWELRGIP
IRIEVGPKDLQNNSCVIVRRDNNEKCNVKKESVLLETQQMLVDIHKNLFL
KAKKKLDDSIVQVTSFSEVMNALNKKKMVLAPWCEDIATEEEIKKETQRL
SSGAMKPLCIPLDQPPMPPNMKCFWSGKPAKRWCLFGRSY

3D structure

PDB

4wi1 Biochemical and Structural Characterization of Selective Allosteric Inhibitors of the Plasmodium falciparum Drug Target, Prolyl-tRNA-synthetase.

Chain

Resolution

1.65 Å

3D
structure

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Enzymatic activity

Enzyme Commision number

6.1.1.15: proline--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	3O6	A	Y266 A291 R403 E404 I474 T513 I516 G517 M521	Y25 A47 R107 E108 I178 T217 I220 G221 M225	MOAD: ic50=5uM PDBbind-CN: -logKd/Ki=5.30,IC50=5uM
BS02	MG	A	T362 Q384 E409	T80 Q102 E113

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

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Molecular Function

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Biological Process

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Cellular Component

PDB	RCSB:4wi1, PDBe:4wi1, PDBj:4wi1
PDBsum	4wi1
PubMed	27798837
UniProt	Q8I5R7\|SYP_PLAF7 Proline--tRNA ligase (Gene Name=proRS)