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4J1N

Crystal structures of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0004318molecular_functionenoyl-[acyl-carrier-protein] reductase (NADH) activity
A0006633biological_processfatty acid biosynthetic process
A0016491molecular_functionoxidoreductase activity
B0000166molecular_functionnucleotide binding
B0004318molecular_functionenoyl-[acyl-carrier-protein] reductase (NADH) activity
B0006633biological_processfatty acid biosynthetic process
B0016491molecular_functionoxidoreductase activity
Functional Information from PDB Data
site_idAC1
Number of Residues28
DetailsBINDING SITE FOR RESIDUE NAD A 301
ChainResidue
AGLY13
ASER90
AILE91
AALA92
ALEU144
ATHR145
ATYR146
ALYS163
AALA189
APRO191
AILE192
ALEU14
ATHR194
ALEU195
AALA196
AALA197
APHE203
A1JN302
AHOH406
AHOH410
AHOH416
ALEU15
ASER19
AILE20
AVAL40
ACYS62
AASP63
AVAL64

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE 1JN A 302
ChainResidue
ATYR146
AMET153
APRO154
ATYR156
AMET159
AALA196
APHE203
AMET206
ANAD301

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 303
ChainResidue
AGLU150
AALA164
AGLU167
AARG171

site_idAC4
Number of Residues23
DetailsBINDING SITE FOR RESIDUE NAD B 301
ChainResidue
BGLY13
BLEU15
BSER19
BILE20
BVAL40
BCYS62
BASP63
BVAL64
BSER90
BILE91
BALA92
BLEU144
BTHR145
BTYR146
BLYS163
BALA189
BPRO191
BILE192
BTHR194
BALA196
B1JN302
BHOH401
BHOH420

site_idAC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE 1JN B 302
ChainResidue
BTYR146
BTYR156
BMET159
BALA196
BILE200
BPHE203
BMET206
BNAD301

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PDB entries from 2024-10-16

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