SIMILAR PATTERNS OF AMINO ACIDS FOR 4LS7_B_1X9B503_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)

(Escherichia
coli) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		10 ILE A 108
ALA A 162
CYH A 163
PHE A 202
HIS A 303
THR A 305
HIS A 340
LEU A 342
GLY A 399
PHE A 400
 CER  A 413 (-3.3A)
CER  A 413 (-3.1A)
CER  A 413 ( 1.8A)
CER  A 413 (-4.5A)
CER  A 413 (-4.0A)
CER  A 413 ( 4.8A)
CER  A 413 (-4.2A)
CER  A 413 (-4.2A)
CER  A 413 (-3.2A)
CER  A 413 (-3.3A)
 0.39A 4ls7A-1b3nA:
69.6
4ls7B-1b3nA:
69.4		 4ls7A-1b3nA:
52.72
4ls7B-1b3nA:
52.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		8 ALA A 166
CYH A 167
PHE A 206
HIS A 307
THR A 309
HIS A 344
LEU A 346
GLY A 402
 None
 0.64A 4ls7A-1e5mA:
72.8
4ls7B-1e5mA:
72.3		 4ls7A-1e5mA:
57.75
4ls7B-1e5mA:
57.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 166
PHE A 206
LEU A 346
GLY A 402
PHE A 403
 None
 0.94A 4ls7A-1e5mA:
72.8
4ls7B-1e5mA:
72.3		 4ls7A-1e5mA:
57.75
4ls7B-1e5mA:
57.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ALA A 166
SER A 202
PHE A 206
THR A 309
HIS A 344
LEU A 346
 None
 0.68A 4ls7A-1e5mA:
72.8
4ls7B-1e5mA:
72.3		 4ls7A-1e5mA:
57.75
4ls7B-1e5mA:
57.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		7 ILE A 112
ALA A 166
CYH A 167
HIS A 307
THR A 309
HIS A 344
GLY A 402
 None
 0.82A 4ls7A-1e5mA:
72.8
4ls7B-1e5mA:
72.3		 4ls7A-1e5mA:
57.75
4ls7B-1e5mA:
57.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A 112
ALA A 166
SER A 202
THR A 309
HIS A 344
 None
 0.99A 4ls7A-1e5mA:
72.8
4ls7B-1e5mA:
72.3		 4ls7A-1e5mA:
57.75
4ls7B-1e5mA:
57.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j3n 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE II

(Thermus
thermophilus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		8 ILE A 106
ALA A 160
CYH A 161
PHE A 200
HIS A 301
HIS A 338
LEU A 340
PHE A 396
 None
 0.95A 4ls7A-1j3nA:
70.0
4ls7B-1j3nA:
69.9		 4ls7A-1j3nA:
53.88
4ls7B-1j3nA:
53.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j3n 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE II

(Thermus
thermophilus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		8 ILE A 106
ALA A 160
CYH A 161
PHE A 200
HIS A 301
THR A 303
HIS A 338
LEU A 340
 None
 0.76A 4ls7A-1j3nA:
70.0
4ls7B-1j3nA:
69.9		 4ls7A-1j3nA:
53.88
4ls7B-1j3nA:
53.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		7 CYH A 169
PHE A 208
HIS A 309
HIS A 346
LEU A 348
GLY A 404
PHE A 405
 ACE  A 633 (-1.5A)
None
None
None
ACE  A 633 ( 4.9A)
ACE  A 633 (-3.1A)
ACE  A 633 (-3.7A)
 0.52A 4ls7A-1tqyA:
65.1
4ls7B-1tqyA:
64.8		 4ls7A-1tqyA:
39.23
4ls7B-1tqyA:
39.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		7 ALA A 169
CYH A 170
PHE A 209
HIS A 311
THR A 313
HIS A 346
GLY A 404
 None
 0.85A 4ls7A-2gp6A:
59.7
4ls7B-2gp6A:
59.6		 4ls7A-2gp6A:
36.76
4ls7B-2gp6A:
36.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		8 ALA A 164
CYH A 165
PHE A 204
HIS A 304
THR A 306
HIS A 341
LEU A 343
GLY A 399
 None
 0.59A 4ls7A-2gqdA:
74.0
4ls7B-2gqdA:
73.8		 4ls7A-2gqdA:
66.13
4ls7B-2gqdA:
66.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 164
PHE A 204
LEU A 343
GLY A 399
PHE A 400
 None
 0.79A 4ls7A-2gqdA:
74.0
4ls7B-2gqdA:
73.8		 4ls7A-2gqdA:
66.13
4ls7B-2gqdA:
66.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A 110
ALA A 164
CYH A 165
HIS A 304
GLY A 399
 None
 0.83A 4ls7A-2gqdA:
74.0
4ls7B-2gqdA:
73.8		 4ls7A-2gqdA:
66.13
4ls7B-2gqdA:
66.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hg4 6-DEOXYERYTHRONOLIDE
B SYNTHASE

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08990
(Docking)
PF16197
(KAsynt_C_assoc) 		7 ALA A 198
CYH A 199
PHE A 238
HIS A 334
THR A 336
HIS A 374
GLY A 440
 None
 0.87A 4ls7A-2hg4A:
49.9
4ls7B-2hg4A:
49.7		 4ls7A-2hg4A:
19.04
4ls7B-2hg4A:
19.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		9 ALA A 208
CYH A 209
PHE A 248
HIS A 348
THR A 350
HIS A 385
LEU A 387
GLY A 446
PHE A 447
 6NA  A1460 (-3.4A)
6NA  A1460 (-1.7A)
6NA  A1460 (-4.9A)
None
None
None
6NA  A1460 ( 4.1A)
6NA  A1460 (-3.3A)
6NA  A1460 (-3.7A)
 0.34A 4ls7A-2iwzA:
66.0
4ls7B-2iwzA:
66.0		 4ls7A-2iwzA:
49.32
4ls7B-2iwzA:
49.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		7 ALA A 208
SER A 244
PHE A 248
THR A 350
HIS A 385
LEU A 387
PHE A 447
 6NA  A1460 (-3.4A)
None
6NA  A1460 (-4.9A)
None
None
6NA  A1460 ( 4.1A)
6NA  A1460 (-3.7A)
 0.63A 4ls7A-2iwzA:
66.0
4ls7B-2iwzA:
66.0		 4ls7A-2iwzA:
49.32
4ls7B-2iwzA:
49.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Arabidopsis
thaliana) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		9 ALA A 208
CYH A 209
PHE A 248
HIS A 350
THR A 352
HIS A 389
LEU A 391
GLY A 448
PHE A 449
 6NA  A1462 (-3.4A)
6NA  A1462 (-1.7A)
6NA  A1462 (-4.7A)
None
None
None
6NA  A1462 ( 3.9A)
6NA  A1462 (-3.2A)
6NA  A1462 (-3.6A)
 0.30A 4ls7A-2ix4A:
63.5
4ls7B-2ix4A:
63.4		 4ls7A-2ix4A:
47.77
4ls7B-2ix4A:
47.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Arabidopsis
thaliana) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		8 ALA A 208
CYH A 209
SER A 239
HIS A 350
THR A 352
HIS A 389
GLY A 448
PHE A 449
 6NA  A1462 (-3.4A)
6NA  A1462 (-1.7A)
None
None
None
None
6NA  A1462 (-3.2A)
6NA  A1462 (-3.6A)
 1.12A 4ls7A-2ix4A:
63.5
4ls7B-2ix4A:
63.4		 4ls7A-2ix4A:
47.77
4ls7B-2ix4A:
47.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Arabidopsis
thaliana) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		7 ALA A 208
CYH A 209
SER A 244
PHE A 248
LEU A 391
GLY A 448
PHE A 449
 6NA  A1462 (-3.4A)
6NA  A1462 (-1.7A)
None
6NA  A1462 (-4.7A)
6NA  A1462 ( 3.9A)
6NA  A1462 (-3.2A)
6NA  A1462 (-3.6A)
 0.66A 4ls7A-2ix4A:
63.5
4ls7B-2ix4A:
63.4		 4ls7A-2ix4A:
47.77
4ls7B-2ix4A:
47.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Arabidopsis
thaliana) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ILE A 154
ALA A 208
CYH A 209
HIS A 350
HIS A 389
GLY A 448
 6NA  A1462 ( 4.9A)
6NA  A1462 (-3.4A)
6NA  A1462 (-1.7A)
None
None
6NA  A1462 (-3.2A)
 0.57A 4ls7A-2ix4A:
63.5
4ls7B-2ix4A:
63.4		 4ls7A-2ix4A:
47.77
4ls7B-2ix4A:
47.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A1304
CYH A1305
PHE A1343
HIS A1542
THR A1544
 None
 1.05A 4ls7A-2pffA:
36.3
4ls7B-2pffA:
36.4		 4ls7A-2pffA:
12.92
4ls7B-2pffA:
12.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 CYH A1305
PHE A1343
HIS A1542
THR A1544
GLY A1645
 None
 0.79A 4ls7A-2pffA:
36.3
4ls7B-2pffA:
36.4		 4ls7A-2pffA:
12.92
4ls7B-2pffA:
12.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		7 ALA A 201
CYH A 202
PHE A 241
HIS A 337
THR A 339
HIS A 377
GLY A 443
 None
CER  A 960 ( 1.7A)
None
CER  A 960 ( 4.2A)
CER  A 960 ( 4.2A)
CER  A 960 ( 3.8A)
CER  A 960 ( 4.2A)
 0.87A 4ls7A-2qo3A:
40.1
4ls7B-2qo3A:
39.9		 4ls7A-2qo3A:
18.74
4ls7B-2qo3A:
18.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		8 ALA A 163
CYH A 164
PHE A 203
HIS A 303
THR A 305
HIS A 337
LEU A 339
GLY A 395
 None
 0.59A 4ls7A-2rjtA:
68.8
4ls7B-2rjtA:
68.7		 4ls7A-2rjtA:
46.30
4ls7B-2rjtA:
46.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		7 ALA A 163
CYH A 164
SER A 194
HIS A 303
THR A 305
HIS A 337
GLY A 395
 None
 1.09A 4ls7A-2rjtA:
68.8
4ls7B-2rjtA:
68.7		 4ls7A-2rjtA:
46.30
4ls7B-2rjtA:
46.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 163
PHE A 203
LEU A 339
GLY A 395
PHE A 396
 None
 0.69A 4ls7A-2rjtA:
68.8
4ls7B-2rjtA:
68.7		 4ls7A-2rjtA:
46.30
4ls7B-2rjtA:
46.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ILE A 109
ALA A 163
CYH A 164
PHE A 203
HIS A 303
GLY A 395
 None
 0.73A 4ls7A-2rjtA:
68.8
4ls7B-2rjtA:
68.7		 4ls7A-2rjtA:
46.30
4ls7B-2rjtA:
46.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A 109
ALA A 163
PHE A 203
GLY A 395
PHE A 396
 None
 0.89A 4ls7A-2rjtA:
68.8
4ls7B-2rjtA:
68.7		 4ls7A-2rjtA:
46.30
4ls7B-2rjtA:
46.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		7 ALA A 160
CYH A 161
PHE A 200
HIS A 293
THR A 295
HIS A 331
GLY A 394
 None
 0.46A 4ls7A-2vz9A:
undetectable
4ls7B-2vz9A:
undetectable		 4ls7A-2vz9A:
10.13
4ls7B-2vz9A:
10.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		6 CYH A 161
PHE A 200
HIS A 293
HIS A 331
GLY A 394
PHE A 395
 None
 1.09A 4ls7A-2vz9A:
undetectable
4ls7B-2vz9A:
undetectable		 4ls7A-2vz9A:
10.13
4ls7B-2vz9A:
10.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		7 ALA A 170
CYH A 171
PHE A 210
HIS A 311
THR A 313
HIS A 345
GLY A 403
 None
TLM  A1424 (-3.0A)
None
TLM  A1424 (-4.0A)
TLM  A1424 (-3.6A)
TLM  A1424 (-3.9A)
TLM  A1424 (-3.9A)
 0.45A 4ls7A-2wgeA:
59.1
4ls7B-2wgeA:
59.0		 4ls7A-2wgeA:
39.72
4ls7B-2wgeA:
39.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II

(Bartonella
henselae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		8 ALA A 169
CYH A 170
PHE A 209
HIS A 311
THR A 313
HIS A 347
LEU A 349
GLY A 405
 None
 0.70A 4ls7A-3e60A:
67.0
4ls7B-3e60A:
66.7		 4ls7A-3e60A:
49.08
4ls7B-3e60A:
49.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II

(Bartonella
henselae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 169
SER A 205
PHE A 209
GLY A 405
PHE A 406
 None
 1.00A 4ls7A-3e60A:
67.0
4ls7B-3e60A:
66.7		 4ls7A-3e60A:
49.08
4ls7B-3e60A:
49.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II

(Bartonella
henselae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ALA A 169
SER A 205
PHE A 209
HIS A 347
LEU A 349
GLY A 405
 None
 0.78A 4ls7A-3e60A:
67.0
4ls7B-3e60A:
66.7		 4ls7A-3e60A:
49.08
4ls7B-3e60A:
49.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II

(Bartonella
henselae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A 115
ALA A 169
CYH A 170
HIS A 311
GLY A 405
 None
 0.70A 4ls7A-3e60A:
67.0
4ls7B-3e60A:
66.7		 4ls7A-3e60A:
49.08
4ls7B-3e60A:
49.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hhd FATTY ACID SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		7 ALA A 160
CYH A 161
PHE A 200
HIS A 293
THR A 295
HIS A 331
GLY A 394
 None
 0.56A 4ls7A-3hhdA:
47.5
4ls7B-3hhdA:
47.4		 4ls7A-3hhdA:
18.79
4ls7B-3hhdA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hhd FATTY ACID SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		6 CYH A 161
PHE A 200
HIS A 293
HIS A 331
GLY A 394
PHE A 395
 None
 1.09A 4ls7A-3hhdA:
47.5
4ls7B-3hhdA:
47.4		 4ls7A-3hhdA:
18.79
4ls7B-3hhdA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		8 ALA A1304
CYH A1305
PHE A1343
HIS A1542
THR A1544
HIS A1583
GLY A1645
PHE A1646
 CER  A2748 (-3.5A)
CER  A2748 (-1.8A)
CER  A2748 (-4.5A)
CER  A2748 (-4.6A)
CER  A2748 ( 4.2A)
CER  A2748 (-4.4A)
CER  A2748 ( 3.7A)
CER  A2748 (-3.3A)
 0.32A 4ls7A-3hmjA:
40.4
4ls7B-3hmjA:
40.3		 4ls7A-3hmjA:
12.38
4ls7B-3hmjA:
12.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kzu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE II

(Brucella
melitensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		10 ALA A 169
CYH A 170
SER A 205
PHE A 209
HIS A 311
THR A 313
HIS A 347
LEU A 349
GLY A 405
PHE A 406
 None
 0.70A 4ls7A-3kzuA:
67.6
4ls7B-3kzuA:
67.4		 4ls7A-3kzuA:
52.29
4ls7B-3kzuA:
52.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kzu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE II

(Brucella
melitensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A 115
ALA A 169
CYH A 170
HIS A 311
GLY A 405
 None
 0.81A 4ls7A-3kzuA:
67.6
4ls7B-3kzuA:
67.4		 4ls7A-3kzuA:
52.29
4ls7B-3kzuA:
52.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kzu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE II

(Brucella
melitensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 SER A 205
PHE A 209
THR A 315
GLY A 405
PHE A 406
 None
 1.08A 4ls7A-3kzuA:
67.6
4ls7B-3kzuA:
67.4		 4ls7A-3kzuA:
52.29
4ls7B-3kzuA:
52.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o04 BETA-KETO-ACYL
CARRIER PROTEIN
SYNTHASE II

(Listeria
monocytogenes) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		9 ALA A 163
CYH A 164
SER A 199
PHE A 203
HIS A 303
THR A 305
HIS A 340
LEU A 342
GLY A 398
 None
 0.57A 4ls7A-3o04A:
74.5
4ls7B-3o04A:
74.0		 4ls7A-3o04A:
68.31
4ls7B-3o04A:
68.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o04 BETA-KETO-ACYL
CARRIER PROTEIN
SYNTHASE II

(Listeria
monocytogenes) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ALA A 163
SER A 199
PHE A 203
LEU A 342
GLY A 398
PHE A 399
 None
 0.87A 4ls7A-3o04A:
74.5
4ls7B-3o04A:
74.0		 4ls7A-3o04A:
68.31
4ls7B-3o04A:
68.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o04 BETA-KETO-ACYL
CARRIER PROTEIN
SYNTHASE II

(Listeria
monocytogenes) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A 109
ALA A 163
CYH A 164
HIS A 303
GLY A 398
 None
 0.82A 4ls7A-3o04A:
74.5
4ls7B-3o04A:
74.0		 4ls7A-3o04A:
68.31
4ls7B-3o04A:
68.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ov3 CURCUMIN SYNTHASE

(Curcuma longa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		6 ALA A 163
CYH A 164
SER A 197
PHE A 265
HIS A 303
GLY A 374
 None
None
MLI  A 396 (-3.0A)
None
None
None
 1.37A 4ls7A-3ov3A:
22.5
4ls7B-3ov3A:
22.5		 4ls7A-3ov3A:
22.10
4ls7B-3ov3A:
22.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ALA A 163
CYH A 164
HIS A 299
THR A 301
HIS A 334
GLY A 392
 None
 1.19A 4ls7A-3oytA:
61.7
4ls7B-3oytA:
61.1		 4ls7A-3oytA:
41.61
4ls7B-3oytA:
41.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		7 ALA A 163
PHE A 202
HIS A 299
THR A 301
HIS A 334
LEU A 336
GLY A 392
 None
 0.66A 4ls7A-3oytA:
61.7
4ls7B-3oytA:
61.1		 4ls7A-3oytA:
41.61
4ls7B-3oytA:
41.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 163
PHE A 202
LEU A 336
GLY A 392
PHE A 393
 None
 0.65A 4ls7A-3oytA:
61.7
4ls7B-3oytA:
61.1		 4ls7A-3oytA:
41.61
4ls7B-3oytA:
41.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r6h ENOYL-COA HYDRATASE,
ECHA3

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		5 ILE A 137
ALA A 106
PHE A  83
GLY A  61
PHE A  62
 None
 0.87A 4ls7A-3r6hA:
undetectable
4ls7B-3r6hA:
undetectable		 4ls7A-3r6hA:
22.99
4ls7B-3r6hA:
22.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u0f BETA-KETOACYL
SYNTHASE

(Brucella
abortus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		8 ALA A 160
CYH A 161
PHE A 199
HIS A 296
THR A 298
HIS A 333
LEU A 335
GLY A 392
 07L  A 411 (-3.7A)
07L  A 411 (-4.9A)
07L  A 411 (-4.9A)
None
None
None
07L  A 411 (-3.4A)
None
 0.78A 4ls7A-3u0fA:
61.5
4ls7B-3u0fA:
61.1		 4ls7A-3u0fA:
40.82
4ls7B-3u0fA:
40.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u0f BETA-KETOACYL
SYNTHASE

(Brucella
abortus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 160
PHE A 199
LEU A 335
GLY A 392
PHE A 393
 07L  A 411 (-3.7A)
07L  A 411 (-4.9A)
07L  A 411 (-3.4A)
None
None
 0.62A 4ls7A-3u0fA:
61.5
4ls7B-3u0fA:
61.1		 4ls7A-3u0fA:
40.82
4ls7B-3u0fA:
40.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u0f BETA-KETOACYL
SYNTHASE

(Brucella
abortus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 SER A 196
HIS A 296
THR A 298
HIS A 333
LEU A 335
 MOH  A 412 ( 4.7A)
None
None
None
07L  A 411 (-3.4A)
 1.08A 4ls7A-3u0fA:
61.5
4ls7B-3u0fA:
61.1		 4ls7A-3u0fA:
40.82
4ls7B-3u0fA:
40.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v65 AGRIN

(Rattus
norvegicus) 		PF00054
(Laminin_G_1) 		5 MET A1822
ALA A1825
THR A1802
LEU A1831
GLY A1807
 None
 0.97A 4ls7A-3v65A:
undetectable
4ls7B-3v65A:
undetectable		 4ls7A-3v65A:
19.14
4ls7B-3v65A:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bi9 3-KETOACYL-COA
THIOLASE, PUTATIVE

(Trypanosoma
brucei) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 119
CYH A 120
HIS A 335
HIS A 385
GLY A 424
 None
 0.69A 4ls7A-4bi9A:
26.8
4ls7B-4bi9A:
26.8		 4ls7A-4bi9A:
24.95
4ls7B-4bi9A:
24.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bi9 3-KETOACYL-COA
THIOLASE, PUTATIVE

(Trypanosoma
brucei) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 119
CYH A 120
HIS A 335
HIS A 385
GLY A 425
 None
 0.87A 4ls7A-4bi9A:
26.8
4ls7B-4bi9A:
26.8		 4ls7A-4bi9A:
24.95
4ls7B-4bi9A:
24.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 280
CYH A 281
HIS A 434
HIS A 472
PHE A 535
 None
 0.73A 4ls7A-4cw4A:
44.3
4ls7B-4cw4A:
44.4		 4ls7A-4cw4A:
24.23
4ls7B-4cw4A:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ALA A 280
HIS A 434
HIS A 472
LEU A 474
GLY A 534
PHE A 535
 None
 0.59A 4ls7A-4cw4A:
44.3
4ls7B-4cw4A:
44.4		 4ls7A-4cw4A:
24.23
4ls7B-4cw4A:
24.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ewg BETA-KETOACYL
SYNTHASE

(Paraburkholderia
phymatum) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		7 ALA A 163
CYH A 164
HIS A 301
THR A 303
HIS A 335
LEU A 337
PHE A 395
 None
 0.73A 4ls7A-4ewgA:
59.0
4ls7B-4ewgA:
58.6		 4ls7A-4ewgA:
38.27
4ls7B-4ewgA:
38.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4f32 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Burkholderia
vietnamiensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		8 ALA A 171
PHE A 211
HIS A 313
THR A 315
HIS A 349
LEU A 351
GLY A 408
PHE A 409
 CSU  A 172 ( 2.7A)
None
N32  A 501 (-4.0A)
N32  A 501 (-3.4A)
N32  A 501 (-3.9A)
CSU  A 172 ( 3.9A)
CSU  A 172 (-3.2A)
CSU  A 172 ( 4.0A)
 0.28A 4ls7A-4f32A:
65.7
4ls7B-4f32A:
65.4		 4ls7A-4f32A:
48.10
4ls7B-4f32A:
48.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4f32 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Burkholderia
vietnamiensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ILE A 117
ALA A 171
HIS A 313
HIS A 349
GLY A 408
PHE A 409
 None
CSU  A 172 ( 2.7A)
N32  A 501 (-4.0A)
N32  A 501 (-3.9A)
CSU  A 172 (-3.2A)
CSU  A 172 ( 4.0A)
 0.64A 4ls7A-4f32A:
65.7
4ls7B-4f32A:
65.4		 4ls7A-4f32A:
48.10
4ls7B-4f32A:
48.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fn7 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		5 ILE A 137
ALA A 106
PHE A  83
GLY A  61
PHE A  62
 None
 0.89A 4ls7A-4fn7A:
undetectable
4ls7B-4fn7A:
undetectable		 4ls7A-4fn7A:
21.94
4ls7B-4fn7A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fnm E3 ALPHA-ESTERASE-7
CARBOXYLESTERASE

(Lucilia cuprina) 		PF00135
(COesterase) 		5 MET A 227
ALA A 221
PHE A 138
HIS A 471
GLY A 245
 None
None
None
DPF  A 601 (-4.2A)
None
 1.02A 4ls7A-4fnmA:
undetectable
4ls7B-4fnmA:
undetectable		 4ls7A-4fnmA:
21.33
4ls7B-4fnmA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fnm E3 ALPHA-ESTERASE-7
CARBOXYLESTERASE

(Lucilia cuprina) 		PF00135
(COesterase) 		5 MET A 227
ILE A 133
ALA A 221
PHE A 138
HIS A 471
 None
None
None
None
DPF  A 601 (-4.2A)
 1.07A 4ls7A-4fnmA:
undetectable
4ls7B-4fnmA:
undetectable		 4ls7A-4fnmA:
21.33
4ls7B-4fnmA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hl0 GALECTIN

(Toxascaris
leonina) 		PF00337
(Gal-bind_lectin) 		5 CYH A 229
PHE A 178
THR A 273
LEU A 231
GLY A 228
 None
 1.08A 4ls7A-4hl0A:
undetectable
4ls7B-4hl0A:
undetectable		 4ls7A-4hl0A:
20.18
4ls7B-4hl0A:
20.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jb6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		8 ALA A 163
PHE A 203
HIS A 304
THR A 306
HIS A 341
LEU A 343
GLY A 399
PHE A 400
 None
 0.39A 4ls7A-4jb6A:
71.2
4ls7B-4jb6A:
70.8		 4ls7A-4jb6A:
52.90
4ls7B-4jb6A:
52.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jb6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ILE A 109
ALA A 163
HIS A 304
THR A 306
HIS A 341
GLY A 399
 None
 0.63A 4ls7A-4jb6A:
71.2
4ls7B-4jb6A:
70.8		 4ls7A-4jb6A:
52.90
4ls7B-4jb6A:
52.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jga 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Rickettsia
rickettsii) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		9 ALA A 176
CYH A 177
PHE A 216
HIS A 318
THR A 320
HIS A 355
LEU A 357
GLY A 413
PHE A 414
 None
 0.31A 4ls7A-4jgaA:
67.2
4ls7B-4jgaA:
67.0		 4ls7A-4jgaA:
50.57
4ls7B-4jgaA:
50.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jga 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Rickettsia
rickettsii) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		7 ILE A 122
ALA A 176
CYH A 177
HIS A 318
THR A 320
HIS A 355
GLY A 413
 EDO  A 502 (-4.9A)
None
None
None
None
None
None
 0.60A 4ls7A-4jgaA:
67.2
4ls7B-4jgaA:
67.0		 4ls7A-4jgaA:
50.57
4ls7B-4jgaA:
50.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 8 ALA D 163
CYH D 164
PHE D 203
HIS D 304
THR D 306
HIS D 342
LEU D 344
GLY D 401
 None
 0.58A 4ls7A-4jrmD:
69.0
4ls7B-4jrmD:
68.8		 4ls7A-4jrmD:
52.12
4ls7B-4jrmD:
52.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 6 ILE D 109
ALA D 163
CYH D 164
HIS D 304
HIS D 342
GLY D 401
 None
 0.80A 4ls7A-4jrmD:
69.0
4ls7B-4jrmD:
68.8		 4ls7A-4jrmD:
52.12
4ls7B-4jrmD:
52.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		9 ALA A 162
CYH A 163
SER A 198
PHE A 202
HIS A 302
THR A 304
HIS A 339
LEU A 341
GLY A 397
 None
 0.56A 4ls7A-4ls5A:
79.0
4ls7B-4ls5A:
77.7		 4ls7A-4ls5A:
100.00
4ls7B-4ls5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ALA A 162
SER A 198
PHE A 202
LEU A 341
GLY A 397
PHE A 398
 None
 0.91A 4ls7A-4ls5A:
79.0
4ls7B-4ls5A:
77.7		 4ls7A-4ls5A:
100.00
4ls7B-4ls5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ILE A 108
ALA A 162
CYH A 163
HIS A 302
THR A 304
GLY A 397
 None
 0.83A 4ls7A-4ls5A:
79.0
4ls7B-4ls5A:
77.7		 4ls7A-4ls5A:
100.00
4ls7B-4ls5A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mlg BETA-XYLOSIDASE

(uncultured
organism) 		PF04616
(Glyco_hydro_43) 		5 ILE A 316
SER A 237
HIS A 288
LEU A 286
GLY A 321
 None
 1.07A 4ls7A-4mlgA:
undetectable
4ls7B-4mlgA:
undetectable		 4ls7A-4mlgA:
20.50
4ls7B-4mlgA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		8 ALA A 208
CYH A 209
PHE A 248
HIS A 344
THR A 346
HIS A 384
GLY A 450
PHE A 451
 None
 0.79A 4ls7A-4mz0A:
49.9
4ls7B-4mz0A:
49.7		 4ls7A-4mz0A:
17.39
4ls7B-4mz0A:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ALA A 175
HIS A 311
THR A 313
HIS A 360
GLY A 432
 2JG  A 176 ( 2.6A)
None
None
2JG  A 176 ( 4.0A)
2JG  A 176 ( 3.6A)
 0.35A 4ls7A-4na3A:
47.9
4ls7B-4na3A:
47.7		 4ls7A-4na3A:
25.04
4ls7B-4na3A:
25.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oaq R-SPECIFIC CARBONYL
REDUCTASE

(Candida
parapsilosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 170
ALA A 168
PHE A 204
LEU A 165
GLY A 196
 None
None
None
None
NDP  A 401 (-3.5A)
 1.07A 4ls7A-4oaqA:
undetectable
4ls7B-4oaqA:
undetectable		 4ls7A-4oaqA:
21.66
4ls7B-4oaqA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ope NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 CYH A4393
HIS A4528
THR A4530
HIS A4568
GLY A4640
 None
 0.62A 4ls7A-4opeA:
47.7
4ls7B-4opeA:
47.6		 4ls7A-4opeA:
22.89
4ls7B-4opeA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oqj PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		6 ALA A 189
CYH A 190
HIS A 326
THR A 328
HIS A 368
GLY A 434
 None
GOL  A 903 (-2.8A)
GOL  A 903 (-3.8A)
GOL  A 903 ( 3.7A)
GOL  A 903 (-3.8A)
GOL  A 903 ( 4.0A)
 0.63A 4ls7A-4oqjA:
46.7
4ls7B-4oqjA:
46.5		 4ls7A-4oqjA:
18.05
4ls7B-4oqjA:
18.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qav 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Neisseria
meningitidis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		8 ALA A 164
CYH A 165
PHE A 204
HIS A 303
THR A 305
HIS A 340
LEU A 342
GLY A 400
 None
 0.62A 4ls7A-4qavA:
69.6
4ls7B-4qavA:
69.4		 4ls7A-4qavA:
52.33
4ls7B-4qavA:
52.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qav 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Neisseria
meningitidis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ILE A 110
ALA A 164
CYH A 165
HIS A 303
THR A 305
GLY A 400
 None
 0.79A 4ls7A-4qavA:
69.6
4ls7B-4qavA:
69.4		 4ls7A-4qavA:
52.33
4ls7B-4qavA:
52.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qvh MALTOSE-BINDING
PERIPLASMIC PROTEIN,
4'-PHOSPHOPANTETHEIN
YL TRANSFERASE
CHIMERA

(Escherichia
coli;
Mycobacterium
tuberculosis) 		PF01648
(ACPS)
PF13416
(SBP_bac_8) 		5 ILE A 267
ALA A 270
PHE A  48
THR A 376
GLY A  55
 None
 1.07A 4ls7A-4qvhA:
undetectable
4ls7B-4qvhA:
undetectable		 4ls7A-4qvhA:
22.15
4ls7B-4qvhA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qyr AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		6 ALA A2710
CYH A2711
HIS A2844
HIS A2891
GLY A2962
PHE A2963
 None
 0.96A 4ls7A-4qyrA:
48.7
4ls7B-4qyrA:
48.4		 4ls7A-4qyrA:
21.38
4ls7B-4qyrA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qyr AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		6 ALA A2710
CYH A2711
HIS A2844
THR A2846
HIS A2891
GLY A2962
 None
 0.55A 4ls7A-4qyrA:
48.7
4ls7B-4qyrA:
48.4		 4ls7A-4qyrA:
21.38
4ls7B-4qyrA:
21.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r8e 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		8 ALA A 162
CYH A 163
PHE A 202
HIS A 303
THR A 305
HIS A 340
LEU A 342
GLY A 399
 None
 0.65A 4ls7A-4r8eA:
69.3
4ls7B-4r8eA:
69.1		 4ls7A-4r8eA:
52.58
4ls7B-4r8eA:
52.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r8e 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 162
PHE A 202
LEU A 342
GLY A 399
PHE A 400
 None
 0.86A 4ls7A-4r8eA:
69.3
4ls7B-4r8eA:
69.1		 4ls7A-4r8eA:
52.58
4ls7B-4r8eA:
52.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r8e 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A 108
ALA A 162
CYH A 163
HIS A 303
GLY A 399
 None
 0.82A 4ls7A-4r8eA:
69.3
4ls7B-4r8eA:
69.1		 4ls7A-4r8eA:
52.58
4ls7B-4r8eA:
52.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rm7 ACYL-COA
DEHYDROGENASE

(Slackia
heliotrinireducens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ILE A  74
PHE A  46
LEU A  91
GLY A  55
PHE A  51
 None
 1.08A 4ls7A-4rm7A:
undetectable
4ls7B-4rm7A:
undetectable		 4ls7A-4rm7A:
22.60
4ls7B-4rm7A:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tkt AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 CYH A3320
HIS A3455
THR A3457
HIS A3495
GLY A3562
 None
 0.51A 4ls7A-4tktA:
48.6
4ls7B-4tktA:
48.3		 4ls7A-4tktA:
22.64
4ls7B-4tktA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wky BETA-KETOACYL
SYNTHASE

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		7 ILE A 137
ALA A 189
CYH A 190
HIS A 326
THR A 328
HIS A 366
GLY A 431
 None
 0.72A 4ls7A-4wkyA:
48.9
4ls7B-4wkyA:
48.5		 4ls7A-4wkyA:
24.02
4ls7B-4wkyA:
24.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		9 ALA A 160
CYH A 161
PHE A 199
HIS A 295
THR A 297
HIS A 330
LEU A 332
GLY A 388
PHE A 389
 None
 0.61A 4ls7A-4xoxA:
62.9
4ls7B-4xoxA:
62.5		 4ls7A-4xoxA:
43.16
4ls7B-4xoxA:
43.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 CYH A2496
HIS A2631
THR A2633
HIS A2671
GLY A2746
 None
 0.51A 4ls7A-4z37A:
48.1
4ls7B-4z37A:
47.8		 4ls7A-4z37A:
21.69
4ls7B-4z37A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zdn AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 CYH A 727
HIS A 862
THR A 864
HIS A 902
GLY A 970
 None
 0.60A 4ls7A-4zdnA:
47.6
4ls7B-4zdnA:
47.4		 4ls7A-4zdnA:
20.09
4ls7B-4zdnA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eny POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		6 ALA A 168
CYH A 169
HIS A 304
THR A 306
HIS A 344
GLY A 411
 None
 0.45A 4ls7A-5enyA:
49.1
4ls7B-5enyA:
49.0		 4ls7A-5enyA:
23.55
4ls7B-5enyA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 7 ALA B 160
CYH B 161
PHE B 200
HIS B 293
THR B 295
HIS B 331
GLY B 394
 None
 0.55A 4ls7A-5my0B:
47.4
4ls7B-5my0B:
47.3		 4ls7A-5my0B:
11.51
4ls7B-5my0B:
11.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 7 CYH B 161
PHE B 200
HIS B 293
THR B 295
HIS B 331
GLY B 394
PHE B 395
 None
 1.02A 4ls7A-5my0B:
47.4
4ls7B-5my0B:
47.3		 4ls7A-5my0B:
11.51
4ls7B-5my0B:
11.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6et9 ACETYL-COA
ACETYLTRANSFERASE
THIOLASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 6 ALA A  84
CYH A  85
HIS A 284
HIS A 336
LEU A 338
GLY A 377
 None
 0.73A 4ls7A-6et9A:
29.6
4ls7B-6et9A:
29.5		 4ls7A-6et9A:
11.69
4ls7B-6et9A:
11.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6et9 ACETYL-COA
ACETYLTRANSFERASE
THIOLASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 6 ALA A  84
CYH A  85
HIS A 284
HIS A 336
LEU A 338
GLY A 378
 None
 0.91A 4ls7A-6et9A:
29.6
4ls7B-6et9A:
29.5		 4ls7A-6et9A:
11.69
4ls7B-6et9A:
11.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 5 ALA A 552
CYH A 553
HIS A 688
THR A 690
HIS A 733
 None
 0.45A 4ls7A-6fikA:
44.1
4ls7B-6fikA:
43.9		 4ls7A-6fikA:
11.67
4ls7B-6fikA:
11.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fm9 UDP-N-ACETYLGLUCOSAM
INE--DOLICHYL-PHOSPH
ATE
N-ACETYLGLUCOSAMINEP
HOSPHOTRANSFERASE

(Homo sapiens) 		no annotation 5 SER A 202
PHE A 231
THR A  25
GLY A  59
PHE A 257
 None
 0.94A 4ls7A-6fm9A:
undetectable
4ls7B-6fm9A:
undetectable		 4ls7A-6fm9A:
undetectable
4ls7B-6fm9A:
undetectable