4CAE

Plasmodium vivax N-myristoyltransferase in complex with a benzothiophene inhibitor (compound 20b)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004379	molecular_function	glycylpeptide N-tetradecanoyltransferase activity
A	0005737	cellular_component	cytoplasm
A	0006499	biological_process	N-terminal protein myristoylation
A	0016740	molecular_function	transferase activity
A	0016746	molecular_function	acyltransferase activity
A	0046872	molecular_function	metal ion binding
B	0004379	molecular_function	glycylpeptide N-tetradecanoyltransferase activity
B	0005737	cellular_component	cytoplasm
B	0006499	biological_process	N-terminal protein myristoylation
B	0016740	molecular_function	transferase activity
B	0016746	molecular_function	acyltransferase activity
B	0046872	molecular_function	metal ion binding
C	0004379	molecular_function	glycylpeptide N-tetradecanoyltransferase activity
C	0005737	cellular_component	cytoplasm
C	0006499	biological_process	N-terminal protein myristoylation
C	0016740	molecular_function	transferase activity
C	0016746	molecular_function	acyltransferase activity
C	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	39
Details	BINDING SITE FOR RESIDUE NHW A 1422

Chain	Residue
A	TYR28
A	LEU163
A	CYS164
A	VAL165
A	ARG170
A	SER171
A	LYS172
A	ARG173
A	LEU174
A	ALA175
A	PRO176
A	LYS29
A	THR183
A	ILE186
A	ASN187
A	TRP192
A	GLN193
A	ALA194
A	TYR196
A	THR197
A	LEU202
A	TYR393
A	PHE30
A	MG1411
A	HOH2001
A	HOH2002
A	HOH2226
A	HOH2235
A	HOH2432
A	HOH2433
A	HOH2435
A	HOH2436
A	HOH2437
A	TRP31
A	ASN94
A	TYR95
A	VAL96
A	ASN161
A	PHE162

---

site_id	AC2
Number of Residues	41
Details	BINDING SITE FOR RESIDUE NHW B 1422

Chain	Residue
B	TYR28
B	LYS29
B	PHE30
B	TRP31
B	ASN94
B	TYR95
B	VAL96
B	ASN161
B	PHE162
B	LEU163
B	CYS164
B	VAL165
B	ARG170
B	SER171
B	LYS172
B	ARG173
B	LEU174
B	ALA175
B	PRO176
B	THR183
B	ILE186
B	ASN187
B	TRP192
B	GLN193
B	ALA194
B	TYR196
B	THR197
B	LEU202
B	TYR393
B	MG1412
B	HOH2002
B	HOH2004
B	HOH2221
B	HOH2226
B	HOH2227
B	HOH2448
B	HOH2449
B	HOH2450
B	HOH2451
B	HOH2452
B	HOH2453

---

site_id	AC3
Number of Residues	37
Details	BINDING SITE FOR RESIDUE NHW C 1422

Chain	Residue
C	THR183
C	ILE186
C	TRP192
C	GLN193
C	TYR196
C	THR197
C	LEU202
C	TYR393
C	MG1411
C	HOH2002
C	HOH2200
C	HOH2205
C	HOH2396
C	HOH2397
C	HOH2398
C	HOH2399
C	HOH2400
C	HOH2401
C	TYR28
C	LYS29
C	PHE30
C	TRP31
C	ASN94
C	TYR95
C	VAL96
C	ASN161
C	PHE162
C	LEU163
C	CYS164
C	VAL165
C	ARG170
C	SER171
C	LYS172
C	ARG173
C	LEU174
C	ALA175
C	PRO176

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 1411

Chain	Residue
A	ARG210
A	LYS373
B	ARG210
B	LYS373
B	HOH2446

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 1411

Chain	Residue
A	LEU169
A	SER171
A	LYS172
A	ARG173
A	LEU174
A	NHW1422

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG B 1412

Chain	Residue
B	LEU169
B	SER171
B	LYS172
B	ARG173
B	LEU174
B	NHW1422

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG C 1411

Chain	Residue
C	LEU169
C	SER171
C	LYS172
C	ARG173
C	LEU174
C	NHW1422

---

site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 1412

Chain	Residue
A	SER328
A	THR329

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL A 1413

Chain	Residue
A	LYS180
A	THR247
A	LEU248
A	ARG358
A	HOH2058

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL C 1412

Chain	Residue
C	LYS180
C	THR247
C	LEU248
C	ARG358

---

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL B 1413

Chain	Residue
B	LYS180
B	THR247
B	LEU248
B	ARG358
B	HOH2312

---

site_id	BC3
Number of Residues	22
Details	BINDING SITE FOR RESIDUE 3F3 B 1414

Chain	Residue
B	VAL96
B	GLU97
B	ASP98
B	PHE103
B	PHE105
B	TYR107
B	THR197
B	TYR211
B	TYR315
B	SER319
B	TYR334
B	SER335
B	ASN365
B	ALA366
B	LEU367
B	LEU388
B	LEU409
B	LEU410
B	HOH2130
B	HOH2215
B	HOH2241
B	HOH2447

---

site_id	BC4
Number of Residues	18
Details	BINDING SITE FOR RESIDUE 3F3 A 1414

Chain	Residue
A	VAL96
A	GLU97
A	ASP98
A	PHE103
A	PHE105
A	TYR107
A	THR197
A	TYR211
A	TYR315
A	SER319
A	TYR334
A	SER335
A	ASN365
A	LEU367
A	LEU388
A	LEU409
A	LEU410
A	HOH2431

---

site_id	BC5
Number of Residues	21
Details	BINDING SITE FOR RESIDUE 3F3 C 1413

Chain	Residue
C	VAL96
C	GLU97
C	ASP98
C	PHE103
C	PHE105
C	TYR107
C	THR197
C	TYR211
C	PHE226
C	TYR315
C	SER319
C	TYR334
C	SER335
C	ASN365
C	ALA366
C	LEU367
C	LEU409
C	LEU410
C	HOH2218
C	HOH2394
C	HOH2395

---

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS A 1415

Chain	Residue
A	GLU159
A	PHE281
A	TRP289
A	HOH2379

---

site_id	BC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS B 1415

Chain	Residue
B	GLU159
B	TRP289
B	HOH2396

---

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS C 1414

Chain	Residue
C	GLU159
C	PHE281
C	TRP289
C	HOH2345

---

Functional Information from PROSITE/UniProt

site_id	PS00975
Number of Residues	9
Details	NMT_1 Myristoyl-CoA:protein N-myristoyltransferase signature 1. EVNFLCvHK

Chain	Residue	Details
A	GLU159-LYS167

---

site_id	PS00976
Number of Residues	7
Details	NMT_2 Myristoyl-CoA:protein N-myristoyltransferase signature 2. KFGeGDG

Chain	Residue	Details
A	LYS380-GLY386

---