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1ZW1

Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives

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 Residues25
DetailsBINDING SITE FOR RESIDUE NAD A 450
ChainResidue
AGLY104
ASER170
ASER215
ALEU216
AALA217
AASN218
ALYS240
ALEU265
ATHR266
ALYS285
AALA312
AILE105
AGLY313
APRO314
ALEU315
ASER317
AALA319
ATN5500
AGLY106
AGLY110
ATYR111
ATRP131
APHE167
AASP168
AALA169

site_idAC2
Number of Residues24
DetailsBINDING SITE FOR RESIDUE NAD B 451
ChainResidue
BGLY104
BGLY106
BGLY110
BTYR111
BTRP131
BPHE167
BASP168
BALA169
BSER170
BSER215
BLEU216
BALA217
BASN218
BLEU265
BTHR266
BTYR267
BLYS285
BALA312
BGLY313
BPRO314
BLEU315
BSER317
BALA319
BTN5501

site_idAC3
Number of Residues10
DetailsBINDING SITE FOR RESIDUE TN5 A 500
ChainResidue
AALA217
AASN218
AALA219
ATYR267
ATYR277
AALA319
AALA320
AILE323
APHE368
ANAD450

site_idAC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE TN5 B 501
ChainResidue
BALA217
BASN218
BALA219
BTYR267
BTYR277
BMET281
BALA319
BPHE368
BNAD451

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1qsg
ChainResidueDetails
ATYR277
ALYS285

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1qsg
ChainResidueDetails
BTYR277
BLYS285

site_idCSA3
Number of Residues2
DetailsAnnotated By Reference To The Literature 1qsg
ChainResidueDetails
AMET281
ALYS285

site_idCSA4
Number of Residues2
DetailsAnnotated By Reference To The Literature 1qsg
ChainResidueDetails
BMET281
BLYS285

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PDB entries from 2024-07-10

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