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4CAF

Plasmodium vivax N-myristoyltransferase in complex with a benzothiophene inhibitor (compound 34a)

Functional Information from GO Data
ChainGOidnamespacecontents
A0004379molecular_functionglycylpeptide N-tetradecanoyltransferase activity
A0006499biological_processN-terminal protein myristoylation
A0016746molecular_functionacyltransferase activity
A0046872molecular_functionmetal ion binding
B0004379molecular_functionglycylpeptide N-tetradecanoyltransferase activity
B0006499biological_processN-terminal protein myristoylation
B0016746molecular_functionacyltransferase activity
B0046872molecular_functionmetal ion binding
C0004379molecular_functionglycylpeptide N-tetradecanoyltransferase activity
C0006499biological_processN-terminal protein myristoylation
C0016746molecular_functionacyltransferase activity
C0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues39
DetailsBINDING SITE FOR RESIDUE NHW A 1422
ChainResidue
ATYR28
ALEU163
ACYS164
AVAL165
AARG170
ASER171
ALYS172
AARG173
ALEU174
AALA175
APRO176
ALYS29
ATHR183
AILE186
AASN187
ATRP192
AGLN193
AALA194
ATHR197
ALEU202
ATYR393
AMG1415
APHE30
AHOH2001
AHOH2002
AHOH2279
AHOH2287
AHOH2524
AHOH2525
AHOH2526
AHOH2527
AHOH2528
AHOH2529
ATRP31
AASN94
ATYR95
AVAL96
AASN161
APHE162

site_idAC2
Number of Residues40
DetailsBINDING SITE FOR RESIDUE NHW B 1422
ChainResidue
BTYR28
BLYS29
BPHE30
BTRP31
BASN94
BTYR95
BVAL96
BASN161
BPHE162
BLEU163
BCYS164
BVAL165
BARG170
BSER171
BLYS172
BARG173
BLEU174
BALA175
BPRO176
BTHR183
BILE186
BASN187
BTRP192
BGLN193
BTYR196
BTHR197
BLEU202
BTYR393
BMG1414
BHOH2002
BHOH2003
BHOH2244
BHOH2250
BHOH2251
BHOH2484
BHOH2485
BHOH2486
BHOH2487
BHOH2488
BHOH2489

site_idAC3
Number of Residues37
DetailsBINDING SITE FOR RESIDUE NHW C 1422
ChainResidue
CILE186
CTRP192
CALA194
CTYR196
CTHR197
CLEU202
CTYR393
CMG1413
CHOH2002
CHOH2225
CHOH2230
CHOH2231
CHOH2422
CHOH2423
CHOH2425
CHOH2426
CHOH2427
CTYR28
CLYS29
CPHE30
CTRP31
CASN94
CTYR95
CVAL96
CASN161
CPHE162
CLEU163
CCYS164
CVAL165
CARG170
CSER171
CLYS172
CARG173
CLEU174
CALA175
CPRO176
CTHR183

site_idAC4
Number of Residues21
DetailsBINDING SITE FOR RESIDUE 370 A 1411
ChainResidue
AASP98
APHE105
ATYR107
ATHR197
ATYR211
AHIS213
ATYR315
ASER319
ATYR334
ASER335
AASN365
AALA366
ALEU367
ALEU388
AVAL408
ALEU409
ALEU410
ANH41416
AHOH2306
AHOH2457
AHOH2521

site_idAC5
Number of Residues20
DetailsBINDING SITE FOR RESIDUE 370 B 1411
ChainResidue
BASP98
BPHE105
BTYR107
BTHR197
BTYR211
BHIS213
BTYR315
BSER319
BTYR334
BSER335
BASN365
BALA366
BLEU367
BLEU388
BLEU409
BLEU410
BNH41415
BHOH2268
BHOH2424
BHOH2483

site_idAC6
Number of Residues20
DetailsBINDING SITE FOR RESIDUE 370 C 1411
ChainResidue
CASP98
CPHE105
CTYR107
CTHR197
CTYR211
CHIS213
CTYR315
CSER319
CTYR334
CSER335
CASN365
CALA366
CLEU367
CVAL408
CLEU409
CLEU410
CNH41414
CHOH2245
CHOH2368
CHOH2421

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DMS B 1412
ChainResidue
BGLU159
BPHE281
BTRP289
BHOH2427

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE DMS A 1412
ChainResidue
AASN295
ATYR298
ASER316
AASN331
AASN359

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS B 1413
ChainResidue
BASN295
BTYR298
BSER316
BASN331
BASN359
BPHE361

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DMS A 1413
ChainResidue
AGLU159
APHE281
ATRP289
AHOH2460

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DMS C 1412
ChainResidue
CGLU159
CPHE281
CTRP289
CHOH2371

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1414
ChainResidue
AARG210
ALYS373
AHOH2522
BARG210
BLYS373

site_idBC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG C 1413
ChainResidue
CLEU169
CSER171
CLYS172
CARG173
CLEU174
CNHW1422

site_idBC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG B 1414
ChainResidue
BLEU169
BSER171
BLYS172
BARG173
BLEU174
BNHW1422

site_idBC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 1415
ChainResidue
ALEU169
ASER171
ALYS172
AARG173
ALEU174
ANHW1422

site_idBC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NH4 B 1415
ChainResidue
BASN161
BTHR197
BLEU410
B3701411
BHOH2235

site_idBC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NH4 C 1414
ChainResidue
CASN161
CTHR197
CLEU410
C3701411
CHOH2213

site_idBC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NH4 A 1416
ChainResidue
AASN161
ATHR197
ALEU410
A3701411
AHOH2266

site_idCC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 1417
ChainResidue
ALYS180
ATHR247
ALEU248
AARG358

site_idCC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL C 1415
ChainResidue
CLYS180
CTHR247
CLEU248
CARG358

site_idCC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL B 1416
ChainResidue
BLYS180
BTHR247
BLEU248
BARG358
BHOH2340

Functional Information from PROSITE/UniProt
site_idPS00975
Number of Residues9
DetailsNMT_1 Myristoyl-CoA:protein N-myristoyltransferase signature 1. EVNFLCvHK
ChainResidueDetails
AGLU159-LYS167

site_idPS00976
Number of Residues7
DetailsNMT_2 Myristoyl-CoA:protein N-myristoyltransferase signature 2. KFGeGDG
ChainResidueDetails
ALYS380-GLY386

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PDB entries from 2024-07-24

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