SIMILAR PATTERNS OF AMINO ACIDS FOR 4L6V_A_PQNA2001

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
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 PHE A 140
SER A 142
ALA A 132
LEU A 135
GLY A 139
 None
 1.07A 4l6va-1ogyA:
undetectable
4l6vf-1ogyA:
0.0		 4l6va-1ogyA:
22.54
4l6vf-1ogyA:
9.99
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.
1q3i NA,K-ATPASE

(Sus scrofa) 		PF13246
(Cation_ATPase) 		5 TRP A 411
PHE A 548
ALA A 413
LEU A 414
GLY A 580
 None
 1.23A 4l6va-1q3iA:
undetectable
4l6vf-1q3iA:
undetectable		 4l6va-1q3iA:
13.53
4l6vf-1q3iA:
20.55
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.
1ry6 INTERNAL KINESIN

(Plasmodium
falciparum) 		PF00225
(Kinesin) 		5 SER A  96
ALA A  90
LEU A 237
GLY A 239
ALA A 273
 SO4  A 401 (-3.6A)
None
None
None
None
 1.34A 4l6va-1ry6A:
0.0
4l6vf-1ry6A:
undetectable		 4l6va-1ry6A:
18.00
4l6vf-1ry6A:
15.62
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.
1u0k GENE PRODUCT PA4716

(Pseudomonas
aeruginosa) 		PF02567
(PhzC-PhzF) 		5 TRP A   6
SER A 109
TRP A  96
ALA A  80
LEU A  83
 None
 1.40A 4l6va-1u0kA:
undetectable
4l6vf-1u0kA:
0.0		 4l6va-1u0kA:
18.28
4l6vf-1u0kA:
17.89
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.
1xnj BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 1

(Homo sapiens) 		no annotation 5 PHE B 281
ALA B 271
LEU B 270
GLY B 280
ALA B 498
 None
 1.22A 4l6va-1xnjB:
undetectable
4l6vf-1xnjB:
0.0		 4l6va-1xnjB:
21.36
4l6vf-1xnjB:
13.13
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.
2bmo OXYGENASE-ALPHA NBDO

(Comamonas sp.
JS765) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 TRP A 252
ALA A 405
LEU A 238
GLY A 402
ALA A 279
 EOH  A1449 ( 4.1A)
None
None
None
None
 1.46A 4l6va-2bmoA:
undetectable
4l6vf-2bmoA:
0.0		 4l6va-2bmoA:
21.68
4l6vf-2bmoA:
14.99
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.
2bv8 C-PHYCOCYANIN ALPHA
SUBUNIT
C-PHYCOCYANIN BETA
SUBUNIT

(Gracilaria
chilensis) 		PF00502
(Phycobilisome) 		5 MET B 134
PHE B 164
LEU B 160
GLY B 161
ALA A   8
 None
 1.48A 4l6va-2bv8B:
0.0
4l6vf-2bv8B:
1.0		 4l6va-2bv8B:
12.93
4l6vf-2bv8B:
21.56
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.
2hqj PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Leishmania
major) 		PF00160
(Pro_isomerase) 		5 MET A 110
PHE A 139
ALA A  26
LEU A  24
GLY A 140
 None
 1.48A 4l6va-2hqjA:
undetectable
4l6vf-2hqjA:
undetectable		 4l6va-2hqjA:
13.85
4l6vf-2hqjA:
21.71
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.
2ip2 PROBABLE
PHENAZINE-SPECIFIC
METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 MET A 150
PHE A 146
LEU A 136
GLY A 143
ALA A 116
 None
 1.16A 4l6va-2ip2A:
0.0
4l6vf-2ip2A:
0.0		 4l6va-2ip2A:
17.11
4l6vf-2ip2A:
17.27
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.
2put ISOMERASE DOMAIN OF
GLUTAMINE-FRUCTOSE-6
-PHOSPHATE
TRANSAMINASE
(ISOMERIZING)

(Candida
albicans) 		PF01380
(SIS) 		5 PHE A 622
SER A 627
ALA A 580
GLY A 574
ALA A 692
 None
 1.26A 4l6va-2putA:
undetectable
4l6vf-2putA:
0.0		 4l6va-2putA:
18.55
4l6vf-2putA:
17.27
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.
2q04 ACETOIN UTILIZATION
PROTEIN

(Exiguobacterium
sibiricum) 		PF00583
(Acetyltransf_1) 		5 MET A 125
ALA A 184
LEU A 164
GLY A 162
ALA A  40
 None
None
None
None
EDO  A 214 (-3.6A)
 1.50A 4l6va-2q04A:
undetectable
4l6vf-2q04A:
undetectable		 4l6va-2q04A:
12.88
4l6vf-2q04A:
24.19
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.
2q04 ACETOIN UTILIZATION
PROTEIN

(Exiguobacterium
sibiricum) 		PF00583
(Acetyltransf_1) 		5 MET A 125
ALA A 184
LEU A 164
GLY A 163
ALA A  40
 None
None
None
None
EDO  A 214 (-3.6A)
 1.15A 4l6va-2q04A:
undetectable
4l6vf-2q04A:
undetectable		 4l6va-2q04A:
12.88
4l6vf-2q04A:
24.19
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.
2q9u A-TYPE FLAVOPROTEIN

(Giardia
intestinalis) 		no annotation 5 SER A 283
ALA A 276
LEU A 277
GLY A 396
ALA A 329
 None
 1.45A 4l6va-2q9uA:
undetectable
4l6vf-2q9uA:
0.0		 4l6va-2q9uA:
18.68
4l6vf-2q9uA:
14.25
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.
2q9u A-TYPE FLAVOPROTEIN

(Giardia
intestinalis) 		no annotation 5 SER A 283
ALA A 395
LEU A 399
GLY A 400
ALA A 329
 None
 1.26A 4l6va-2q9uA:
undetectable
4l6vf-2q9uA:
0.0		 4l6va-2q9uA:
18.68
4l6vf-2q9uA:
14.25
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.
2qjf BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 1

(Homo sapiens) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 PHE A 281
ALA A 271
LEU A 270
GLY A 280
ALA A 498
 None
 1.19A 4l6va-2qjfA:
undetectable
4l6vf-2qjfA:
undetectable		 4l6va-2qjfA:
18.59
4l6vf-2qjfA:
18.07
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.
2w92 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D

(Streptococcus
pneumoniae) 		PF03644
(Glyco_hydro_85) 		5 SER A 478
ALA A 472
LEU A 442
GLY A 446
ALA A 224
 None
 1.29A 4l6va-2w92A:
undetectable
4l6vf-2w92A:
undetectable		 4l6va-2w92A:
21.15
4l6vf-2w92A:
11.02
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.
2x50 TRYPANOTHIONE
REDUCTASE

(Leishmania
infantum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 MET A 191
PHE A 207
ALA A 200
GLY A 205
ALA A  46
 None
None
None
None
FAD  A1487 (-3.5A)
 1.46A 4l6va-2x50A:
undetectable
4l6vf-2x50A:
undetectable		 4l6va-2x50A:
22.65
4l6vf-2x50A:
13.92
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.
2x5f ASPARTATE_TYROSINE_P
HENYLALANINE
PYRIDOXAL-5'
PHOSPHATE-DEPENDENT
AMINOTRANSFERASE

(Staphylococcus
aureus) 		PF00155
(Aminotran_1_2) 		5 MET A 281
PHE A 283
ALA A 228
LEU A 260
GLY A 284
 None
 1.25A 4l6va-2x5fA:
undetectable
4l6vf-2x5fA:
undetectable		 4l6va-2x5fA:
20.31
4l6vf-2x5fA:
15.19
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.
2xut PROTON/PEPTIDE
SYMPORTER FAMILY
PROTEIN

(Shewanella
oneidensis) 		PF00854
(PTR2) 		5 SER A 108
ALA A 103
LEU A 102
GLY A 115
ALA A 342
 None
 1.44A 4l6va-2xutA:
0.0
4l6vf-2xutA:
undetectable		 4l6va-2xutA:
23.43
4l6vf-2xutA:
12.98
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.
2yfh GLUTAMATE
DEHYDROGENASE,
NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE,
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli;
[Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 PHE A 229
ALA A 220
LEU A 222
GLY A 228
ALA A 331
 None
 1.26A 4l6va-2yfhA:
undetectable
4l6vf-2yfhA:
undetectable		 4l6va-2yfhA:
21.30
4l6vf-2yfhA:
13.88
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.
2yfh GLUTAMATE
DEHYDROGENASE,
NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE,
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli;
[Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 PHE A 229
ALA A 220
LEU A 222
GLY A 228
ALA A 354
 None
 1.10A 4l6va-2yfhA:
undetectable
4l6vf-2yfhA:
undetectable		 4l6va-2yfhA:
21.30
4l6vf-2yfhA:
13.88
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.
2yn9 POTASSIUM-TRANSPORTI
NG ATPASE ALPHA
CHAIN 1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF09040
(H-K_ATPase_N)
PF13246
(Cation_ATPase) 		5 TRP A 427
PHE A 564
ALA A 429
LEU A 430
GLY A 596
 None
 1.27A 4l6va-2yn9A:
0.0
4l6vf-2yn9A:
undetectable		 4l6va-2yn9A:
21.48
4l6vf-2yn9A:
7.88
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.
3ai2 NADPH-SORBOSE
REDUCTASE

(Gluconobacter
frateurii) 		PF13561
(adh_short_C2) 		5 MET A 131
ALA A 120
LEU A 123
GLY A 126
ALA A  47
 None
 1.32A 4l6va-3ai2A:
undetectable
4l6vf-3ai2A:
undetectable		 4l6va-3ai2A:
17.84
4l6vf-3ai2A:
18.58
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.
3ai2 NADPH-SORBOSE
REDUCTASE

(Gluconobacter
frateurii) 		PF13561
(adh_short_C2) 		5 MET A 131
ALA A 120
LEU A 123
GLY A 126
ALA A  48
 None
 1.38A 4l6va-3ai2A:
undetectable
4l6vf-3ai2A:
undetectable		 4l6va-3ai2A:
17.84
4l6vf-3ai2A:
18.58
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.
3cb5 FACT COMPLEX SUBUNIT
SPT16

(Schizosaccharomyces
pombe) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		5 TRP A  60
SER A 367
ALA A 174
LEU A 173
ALA A 101
 None
 1.18A 4l6va-3cb5A:
undetectable
4l6vf-3cb5A:
undetectable		 4l6va-3cb5A:
19.71
4l6vf-3cb5A:
13.24
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.
3eoj BACTERIOCHLOROPHYLL
A PROTEIN

(Prosthecochloris
aestuarii) 		PF02327
(BChl_A) 		5 SER A  24
ALA A 252
LEU A 273
GLY A 275
ALA A  33
 None
BCL  A 376 ( 3.8A)
BCL  A 376 ( 4.2A)
BCL  A 375 ( 3.8A)
BCL  A 373 (-3.5A)
 1.20A 4l6va-3eojA:
undetectable
4l6vf-3eojA:
undetectable		 4l6va-3eojA:
17.51
4l6vf-3eojA:
16.37
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.
3gdb PUTATIVE
UNCHARACTERIZED
PROTEIN SPR0440

(Streptococcus
pneumoniae) 		PF03644
(Glyco_hydro_85) 		5 SER A 478
ALA A 472
LEU A 442
GLY A 446
ALA A 224
 None
 1.40A 4l6va-3gdbA:
undetectable
4l6vf-3gdbA:
undetectable		 4l6va-3gdbA:
21.37
4l6vf-3gdbA:
8.87
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.
3ghy KETOPANTOATE
REDUCTASE PROTEIN

(Ralstonia
solanacearum) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 SER A 174
ALA A 181
LEU A 166
GLY A 167
ALA A  11
 None
 1.47A 4l6va-3ghyA:
undetectable
4l6vf-3ghyA:
undetectable		 4l6va-3ghyA:
18.31
4l6vf-3ghyA:
17.28
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.
3k0b PREDICTED
N6-ADENINE-SPECIFIC
DNA METHYLASE

(Listeria
monocytogenes) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 TRP A  51
PHE A 223
SER A 225
ALA A  48
ALA A 209
 None
 1.40A 4l6va-3k0bA:
undetectable
4l6vf-3k0bA:
undetectable		 4l6va-3k0bA:
18.62
4l6vf-3k0bA:
14.91
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.
3kdn RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Thermococcus
kodakarensis) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 TRP A 261
ALA A 109
LEU A 105
GLY A 103
ALA A 362
 None
 1.19A 4l6va-3kdnA:
undetectable
4l6vf-3kdnA:
undetectable		 4l6va-3kdnA:
22.08
4l6vf-3kdnA:
14.41
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.
3kum DIPEPTIDE EPIMERASE

(Enterococcus
faecalis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 MET A 266
ALA A 321
LEU A 319
GLY A 291
ALA A 347
 None
 1.39A 4l6va-3kumA:
undetectable
4l6vf-3kumA:
undetectable		 4l6va-3kumA:
18.25
4l6vf-3kumA:
18.56
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.
3lqy PUTATIVE
ISOCHORISMATASE
HYDROLASE

(Oleispira
antarctica) 		PF00857
(Isochorismatase) 		5 PHE A  14
SER A  80
ALA A  34
GLY A  39
ALA A 171
 None
 1.35A 4l6va-3lqyA:
undetectable
4l6vf-3lqyA:
undetectable		 4l6va-3lqyA:
15.06
4l6vf-3lqyA:
20.00
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.
3m7h PUTIDACIN L1

(Pseudomonas
putida) 		PF01453
(B_lectin) 		5 TRP A 187
SER A 146
ALA A 239
GLY A 236
ALA A 196
 None
 1.33A 4l6va-3m7hA:
undetectable
4l6vf-3m7hA:
undetectable		 4l6va-3m7hA:
17.18
4l6vf-3m7hA:
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.
3mpg DIHYDROOROTASE

(Bacillus
anthracis) 		PF01979
(Amidohydro_1) 		5 PHE A 327
SER A 394
ALA A 306
GLY A 326
ALA A 174
 None
 1.23A 4l6va-3mpgA:
undetectable
4l6vf-3mpgA:
undetectable		 4l6va-3mpgA:
20.95
4l6vf-3mpgA:
14.53
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.
3ogk CORONATINE-INSENSITI
VE PROTEIN 1

(Arabidopsis
thaliana) 		no annotation 5 PHE B 483
ALA B 504
LEU B 480
GLY B 479
ALA B  86
 None
None
None
None
OGK  B1100 (-3.6A)
 1.47A 4l6va-3ogkB:
undetectable
4l6vf-3ogkB:
undetectable		 4l6va-3ogkB:
21.44
4l6vf-3ogkB:
13.14
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.
3t94 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(MTAP)

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		5 SER A 171
TRP A 179
ALA A 185
GLY A  94
ALA A 199
 None
None
None
MTA  A 901 (-3.6A)
None
 1.42A 4l6va-3t94A:
undetectable
4l6vf-3t94A:
undetectable		 4l6va-3t94A:
17.47
4l6vf-3t94A:
17.65
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.
3teh PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d) 		5 PHE A 245
SER A 249
ALA A 268
LEU A 280
ALA A 210
 None
 1.42A 4l6va-3tehA:
undetectable
4l6vf-3tehA:
undetectable		 4l6va-3tehA:
19.05
4l6vf-3tehA:
15.04
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.
3wuf ENDO-1,4-BETA-XYLANA
SE A

(Streptomyces
sp.) 		PF00331
(Glyco_hydro_10) 		5 PHE A  76
SER A  74
LEU A  43
GLY A  44
ALA A 246
 None
 1.25A 4l6va-3wufA:
undetectable
4l6vf-3wufA:
undetectable		 4l6va-3wufA:
18.16
4l6vf-3wufA:
15.65
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.
4frz KINESIN-LIKE
CALMODULIN-BINDING
PROTEIN

(Arabidopsis
thaliana) 		PF00225
(Kinesin) 		5 SER A 974
ALA A 968
LEU A1117
GLY A1119
ALA A1152
 ADP  A1302 (-3.6A)
None
None
None
None
 1.37A 4l6va-4frzA:
undetectable
4l6vf-4frzA:
undetectable		 4l6va-4frzA:
17.28
4l6vf-4frzA:
16.89
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.
4grc PUTATIVE MEMBRANE
PROTEIN

(Streptomyces
coelicolor) 		PF04261
(Dyp_perox) 		5 PHE A 362
ALA A 365
LEU A 364
GLY A 344
ALA A 102
 None
 1.46A 4l6va-4grcA:
undetectable
4l6vf-4grcA:
undetectable		 4l6va-4grcA:
20.48
4l6vf-4grcA:
15.23
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.
4ks9 MALONYL-COA
DECARBOXYLASE

(Cupriavidus
metallidurans) 		PF05292
(MCD)
PF17408
(MCD_N) 		5 TRP A 336
SER A 373
ALA A 334
LEU A 337
GLY A 368
 None
 1.49A 4l6va-4ks9A:
undetectable
4l6vf-4ks9A:
undetectable		 4l6va-4ks9A:
20.82
4l6vf-4ks9A:
16.85
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.
4nqw ECF RNA POLYMERASE
SIGMA FACTOR SIGK

(Mycobacterium
tuberculosis) 		PF04542
(Sigma70_r2)
PF04545
(Sigma70_r4) 		5 SER A  51
ALA A  84
LEU A  40
GLY A  39
ALA A 176
 None
 1.14A 4l6va-4nqwA:
undetectable
4l6vf-4nqwA:
undetectable		 4l6va-4nqwA:
14.74
4l6vf-4nqwA:
19.70
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.
4opu CONSERVED ARCHAEAL
PROTEIN

(Sulfolobus
acidocaldarius) 		PF01266
(DAO) 		5 PHE A 324
ALA A 314
LEU A 329
GLY A 328
ALA A 122
 None
None
None
None
FDA  A 501 (-4.0A)
 1.45A 4l6va-4opuA:
undetectable
4l6vf-4opuA:
undetectable		 4l6va-4opuA:
19.66
4l6vf-4opuA:
13.96
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) 		5 PHE A 660
ALA A 564
LEU A 560
GLY A 657
ALA A 626
 None
 1.28A 4l6va-4oqjA:
undetectable
4l6vf-4oqjA:
undetectable		 4l6va-4oqjA:
22.92
4l6vf-4oqjA:
9.16
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.
4pwv P450 MONOOXYGENASE

(Streptomyces
sp. Acta 2897) 		PF00067
(p450) 		5 PHE A 114
ALA A 365
LEU A 362
GLY A 359
ALA A 166
 HEM  A 501 (-4.3A)
None
HEM  A 501 ( 4.5A)
HEM  A 501 (-3.5A)
None
 1.47A 4l6va-4pwvA:
undetectable
4l6vf-4pwvA:
undetectable		 4l6va-4pwvA:
20.21
4l6vf-4pwvA:
14.68
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.
4r0c ABGT PUTATIVE
TRANSPORTER FAMILY

(Alcanivorax
borkumensis) 		PF03806
(ABG_transport) 		5 TRP A 483
SER A 187
ALA A 420
LEU A 490
GLY A 204
 None
 1.37A 4l6va-4r0cA:
undetectable
4l6vf-4r0cA:
undetectable		 4l6va-4r0cA:
23.88
4l6vf-4r0cA:
13.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		8 TRP A  55
MET A 691
PHE A 692
SER A 695
TRP A 700
ALA A 724
LEU A 725
GLY A 730
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
PQN  A5001 ( 4.0A)
 0.28A 4l6va-4rkuA:
43.3
4l6vf-4rkuA:
undetectable		 4l6va-4rkuA:
81.00
4l6vf-4rkuA:
11.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		7 TRP B  22
MET B 662
PHE B 663
SER B 666
TRP B 671
ALA B 699
LEU B 700
 CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
 0.57A 4l6va-4rkuB:
34.0
4l6vf-4rkuB:
0.4		 4l6va-4rkuB:
42.75
4l6vf-4rkuB:
11.09
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.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		5 MET A 380
PHE A 383
LEU A 346
GLY A 385
ALA A 189
 None
 1.40A 4l6va-4txgA:
undetectable
4l6vf-4txgA:
undetectable		 4l6va-4txgA:
20.56
4l6vf-4txgA:
9.99
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.
5aw4 NA, K-ATPASE ALPHA
SUBUNIT

(Squalus
acanthias) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		5 TRP A 418
PHE A 555
ALA A 420
LEU A 421
GLY A 587
 None
 1.27A 4l6va-5aw4A:
0.0
4l6vf-5aw4A:
undetectable		 4l6va-5aw4A:
21.91
4l6vf-5aw4A:
8.73
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.
5e6k POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 SER A 125
ALA A 148
LEU A 121
GLY A 122
ALA A 580
 None
 1.24A 4l6va-5e6kA:
undetectable
4l6vf-5e6kA:
undetectable		 4l6va-5e6kA:
21.41
4l6vf-5e6kA:
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.
5eny POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 SER A 125
ALA A 148
LEU A 121
GLY A 122
ALA A 580
 None
 1.27A 4l6va-5enyA:
undetectable
4l6vf-5enyA:
undetectable		 4l6va-5enyA:
21.59
4l6vf-5enyA:
11.11
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.
5fno MANGANESE
LIPOXYGENASE

(Magnaporthe
oryzae) 		PF00305
(Lipoxygenase) 		5 PHE A 391
ALA A 593
LEU A 594
GLY A 395
ALA A 320
 None
 1.47A 4l6va-5fnoA:
undetectable
4l6vf-5fnoA:
undetectable		 4l6va-5fnoA:
23.53
4l6vf-5fnoA:
13.52
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.
5hnz PROTEIN CLARET
SEGREGATIONAL,PROTEI
N CLARET
SEGREGATIONAL,PLUS-E
ND DIRECTED
KINESIN-1/KINESIN-14
,PROTEIN CLARET
SEGREGATIONAL,PROTEI
N CLARET
SEGREGATIONAL

(Drosophila
melanogaster;
Rattus
norvegicus) 		PF00225
(Kinesin) 		5 SER K 105
ALA K  99
LEU K 248
GLY K 250
ALA K 283
 None
 1.47A 4l6va-5hnzK:
undetectable
4l6vf-5hnzK:
undetectable		 4l6va-5hnzK:
18.28
4l6vf-5hnzK:
16.62
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.
5j9s PROTEIN ENL

(Homo sapiens) 		PF03366
(YEATS) 		5 MET A  83
PHE A  81
ALA A  17
LEU A 106
GLY A  80
 None
 1.35A 4l6va-5j9sA:
undetectable
4l6vf-5j9sA:
undetectable		 4l6va-5j9sA:
11.11
4l6vf-5j9sA:
18.87
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.
5ldk RNA 2',3'-CYCLIC
PHOSPHODIESTERASE

(Escherichia
coli) 		PF02834
(LigT_PEase) 		5 PHE A  72
ALA A 173
LEU A 174
GLY A  71
ALA A 110
 None
 1.41A 4l6va-5ldkA:
undetectable
4l6vf-5ldkA:
undetectable		 4l6va-5ldkA:
13.05
4l6vf-5ldkA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 8 TRP 1  49
MET 1 684
PHE 1 685
SER 1 688
TRP 1 693
ALA 1 717
LEU 1 718
GLY 1 723
 CLA  1 840 (-4.7A)
CLA  1 802 ( 3.2A)
PQN  1 842 (-3.8A)
PQN  1 842 (-3.4A)
PQN  1 842 ( 3.3A)
PQN  1 842 (-3.2A)
PQN  1 842 ( 3.6A)
PQN  1 842 ( 3.9A)
 0.33A 4l6va-5oy01:
45.4
4l6vf-5oy01:
0.1		 4l6va-5oy01:
100.00
4l6vf-5oy01:
16.81
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 7 TRP b  22
MET b 659
PHE b 660
SER b 663
TRP b 668
ALA b 696
LEU b 697
 CLA  b1841 ( 4.0A)
CLA  b1807 ( 3.2A)
PQN  b1844 ( 4.2A)
PQN  b1844 (-3.7A)
PQN  b1844 ( 3.4A)
PQN  b1844 (-3.2A)
PQN  b1844 ( 3.8A)
 0.51A 4l6va-5oy0b:
34.4
4l6vf-5oy0b:
undetectable		 4l6va-5oy0b:
7.36
4l6vf-5oy0b:
18.75
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.
5thk PUTATIVE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 PHE A 127
SER A 123
ALA A  68
LEU A  79
ALA A  61
 None
 1.06A 4l6va-5thkA:
undetectable
4l6vf-5thkA:
undetectable		 4l6va-5thkA:
15.88
4l6vf-5thkA:
17.48
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.
5tr1 CHLORIDE CHANNEL
PROTEIN

(Bos taurus) 		PF00654
(Voltage_CLC) 		5 MET A 421
SER A 107
ALA A 156
LEU A 155
ALA A 434
 None
 1.11A 4l6va-5tr1A:
undetectable
4l6vf-5tr1A:
undetectable		 4l6va-5tr1A:
23.26
4l6vf-5tr1A:
11.38
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.
5wdh KINESIN-LIKE PROTEIN
KIFC1

(Homo sapiens) 		PF00225
(Kinesin) 		5 SER A 414
ALA A 408
LEU A 566
GLY A 568
ALA A 605
 ADP  A 801 (-3.5A)
None
None
None
None
 1.23A 4l6va-5wdhA:
undetectable
4l6vf-5wdhA:
undetectable		 4l6va-5wdhA:
19.31
4l6vf-5wdhA:
14.82
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.
5x5t ALPHA-KETOGLUTARIC
SEMIALDEHYDE
DEHYDROGENASE

(Azospirillum
brasilense) 		PF00171
(Aldedh) 		5 PHE A 280
ALA A 306
LEU A 307
GLY A 276
ALA A 378
 None
 1.46A 4l6va-5x5tA:
undetectable
4l6vf-5x5tA:
undetectable		 4l6va-5x5tA:
20.78
4l6vf-5x5tA:
14.77
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 5 TRP A 996
ALA A 991
LEU A 992
GLY A1196
ALA A 833
 None
 1.36A 4l6va-6fikA:
undetectable
4l6vf-6fikA:
undetectable		 4l6va-6fikA:
7.76
4l6vf-6fikA:
25.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 7 TRP A  46
MET A 681
PHE A 682
SER A 685
TRP A 690
ALA A 714
LEU A 715
 None
PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
PQN  A2001 (-4.4A)
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 0.86A 4l6va-6fosA:
40.0
4l6vf-6fosA:
1.2		 4l6va-6fosA:
69.23
4l6vf-6fosA:
18.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX

(Cyanidioschyzon
merolae) 		no annotation 8 TRP A  46
MET A 681
PHE A 682
TRP A 690
ALA A 714
LEU A 715
GLY A 720
ALA J  14
 None
PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
None
PQN  A2001 ( 4.0A)
 1.02A 4l6va-6fosA:
40.0
4l6vf-6fosA:
1.2		 4l6va-6fosA:
69.23
4l6vf-6fosA:
18.10
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 7 TRP B  22
MET B 660
PHE B 661
SER B 664
TRP B 669
ALA B 697
LEU B 698
 None
PQN  B2002 ( 3.2A)
PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
 0.67A 4l6va-6fosB:
27.2
4l6vf-6fosB:
undetectable		 4l6va-6fosB:
19.42
4l6vf-6fosB:
19.84