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4IGE

Crystal structure of Plasmodium falciparum FabI complexed with NAD and inhibitor 7-(4-Chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one

Functional Information from GO Data
ChainGOidnamespacecontents
A0004318molecular_functionenoyl-[acyl-carrier-protein] reductase (NADH) activity
A0006633biological_processfatty acid biosynthetic process
B0004318molecular_functionenoyl-[acyl-carrier-protein] reductase (NADH) activity
B0006633biological_processfatty acid biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE CHJ A 501
ChainResidue
AALA217
AHOH715
AASN218
AALA219
ATYR267
ATYR277
AALA319
AALA320
APHE368
ANAD502

site_idAC2
Number of Residues30
DetailsBINDING SITE FOR RESIDUE NAD A 502
ChainResidue
AGLY104
AILE105
AGLY106
AGLY110
ATYR111
ATRP131
APHE167
AASP168
AALA169
ASER170
ASER215
ALEU216
AALA217
AASN218
ALEU265
ATHR266
ATYR267
ALYS285
AALA312
AGLY313
APRO314
ALEU315
ASER317
AALA319
ACHJ501
AHOH630
AHOH678
AHOH683
AHOH684
AHOH738

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 503
ChainResidue
AILE177
AGLN191
AASN192
ATYR193
ATHR194
AASP197
BLYS232

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 504
ChainResidue
ALYS117
ASER388
ATHR389
AHOH627
AHOH661

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE CHJ B 501
ChainResidue
BALA217
BASN218
BALA219
BTYR267
BTYR277
BALA319
BALA320
BPHE368
BNAD502

site_idAC6
Number of Residues27
DetailsBINDING SITE FOR RESIDUE NAD B 502
ChainResidue
BILE105
BGLY106
BGLY110
BTYR111
BTRP131
BPHE167
BASP168
BALA169
BSER170
BSER215
BLEU216
BALA217
BASN218
BLEU265
BTHR266
BLYS285
BALA312
BGLY313
BPRO314
BLEU315
BSER317
BALA319
BCHJ501
BHOH603
BHOH638
BHOH657
BHOH666

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 503
ChainResidue
AASN192
AHOH712
BLYS220
BLYS240
BHOH681

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 504
ChainResidue
AASN160
AHOH705
BASN136
BLYS185
BARG186

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL B 505
ChainResidue
BGLY207
BLYS208
BHOH635
BHIS203

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL B 506
ChainResidue
BILE177
BGLN191
BASN192
BTYR193
BASP197

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PDB entries from 2024-07-10

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