5K0T

Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis in complex with inhibitor Chem 1415

Replaces:  4PPW

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0004812	molecular_function	aminoacyl-tRNA ligase activity
A	0004825	molecular_function	methionine-tRNA ligase activity
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0006412	biological_process	translation
A	0006418	biological_process	tRNA aminoacylation for protein translation
A	0006431	biological_process	methionyl-tRNA aminoacylation
A	0016874	molecular_function	ligase activity
B	0000166	molecular_function	nucleotide binding
B	0004812	molecular_function	aminoacyl-tRNA ligase activity
B	0004825	molecular_function	methionine-tRNA ligase activity
B	0005524	molecular_function	ATP binding
B	0005737	cellular_component	cytoplasm
B	0006412	biological_process	translation
B	0006418	biological_process	tRNA aminoacylation for protein translation
B	0006431	biological_process	methionyl-tRNA aminoacylation
B	0016874	molecular_function	ligase activity
C	0000166	molecular_function	nucleotide binding
C	0004812	molecular_function	aminoacyl-tRNA ligase activity
C	0004825	molecular_function	methionine-tRNA ligase activity
C	0005524	molecular_function	ATP binding
C	0005737	cellular_component	cytoplasm
C	0006412	biological_process	translation
C	0006418	biological_process	tRNA aminoacylation for protein translation
C	0006431	biological_process	methionyl-tRNA aminoacylation
C	0016874	molecular_function	ligase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	12
Details	binding site for residue 415 A 601

Chain	Residue
A	ILE12
A	TYR237
A	PHE268
A	HIS269
A	TYR14
A	ASP51
A	HIS53
A	GLY54
A	MET227
A	TYR228
A	VAL229
A	TRP230

---

site_id	AC2
Number of Residues	4
Details	binding site for residue EDO A 602

Chain	Residue
A	LYS18
A	PRO19
A	HIS20
A	ILE309

---

site_id	AC3
Number of Residues	2
Details	binding site for residue EDO A 603

Chain	Residue
A	ASP70
B	PHE295

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site_id	AC4
Number of Residues	1
Details	binding site for residue EDO A 604

Chain	Residue
A	GLU330

---

site_id	AC5
Number of Residues	4
Details	binding site for residue EDO A 605

Chain	Residue
A	ASP73
A	SER77
A	ARG80
A	ARG95

---

site_id	AC6
Number of Residues	17
Details	binding site for residue 415 B 601

Chain	Residue
B	ILE12
B	TYR14
B	ASP51
B	HIS53
B	GLY54
B	PHE213
B	MET227
B	TYR228
B	VAL229
B	TRP230
B	ASP232
B	ALA233
B	LEU234
B	TYR237
B	ILE265
B	PHE268
B	HIS269

---

site_id	AC7
Number of Residues	3
Details	binding site for residue EDO B 602

Chain	Residue
B	GLY17
B	HIS20
C	GLU510

---

site_id	AC8
Number of Residues	3
Details	binding site for residue EDO B 603

Chain	Residue
B	ASP390
B	ASP393
B	ALA394

---

site_id	AC9
Number of Residues	2
Details	binding site for residue EDO B 604

Chain	Residue
B	ASP404
B	ASP405

---

site_id	AD1
Number of Residues	15
Details	binding site for residue 415 C 601

Chain	Residue
C	ALA11
C	ILE12
C	TYR14
C	ASP51
C	HIS53
C	GLY54
C	MET227
C	VAL229
C	TRP230
C	ASP232
C	ALA233
C	LEU234
C	TYR237
C	PHE268
C	HIS269

---

site_id	AD2
Number of Residues	1
Details	binding site for residue EDO C 602

Chain	Residue
C	GLU64

---

Functional Information from PROSITE/UniProt

site_id	PS00178
Number of Residues	10
Details	AA_TRNA_LIGASE_I Aminoacyl-transfer RNA synthetases class-I signature. P..NGkPHIGHA

Chain	Residue	Details
A	PRO15-ALA24

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	30
Details	Motif: {"description":"'HIGH' region"}

Chain

Residue

Details

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