SIMILAR PATTERNS OF AMINO ACIDS FOR 1C9S_B_TRPB81

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.
1c7g TYROSINE
PHENOL-LYASE

(Pantoea
agglomerans) 		PF01212
(Beta_elim_lyase) 		5 ARG A 100
THR A 252
THR A 125
HIS A 129
THR A 126
 PLP  A1000 (-3.8A)
None
PLP  A1000 ( 4.5A)
None
PLP  A1000 ( 4.8A)
 1.30A 1c9sA-1c7gA:
undetectable
1c9sB-1c7gA:
undetectable		 1c9sA-1c7gA:
12.25
1c9sB-1c7gA:
12.25
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 THR A 417
SER A 245
GLY A 412
ALA A 510
THR A 500
 TRA  A 866 (-4.0A)
TRA  A 866 (-2.6A)
None
None
None
 1.10A 1c9sA-1l5jA:
0.0
1c9sB-1l5jA:
0.0		 1c9sA-1l5jA:
7.07
1c9sB-1l5jA:
7.07
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.
1lzx NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF02898
(NO_synthase) 		5 THR A 591
THR A 688
HIS A 652
THR A 655
ILE A 679
 None
 1.32A 1c9sA-1lzxA:
undetectable
1c9sB-1lzxA:
undetectable		 1c9sA-1lzxA:
10.02
1c9sB-1lzxA:
10.02
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.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		5 THR A 360
THR A 457
HIS A 421
THR A 424
ILE A 448
 None
 1.31A 1c9sA-1m9qA:
0.0
1c9sB-1m9qA:
undetectable		 1c9sA-1m9qA:
9.88
1c9sB-1m9qA:
9.88
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.
1mio NITROGENASE
MOLYBDENUM IRON
PROTEIN (BETA CHAIN)

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		5 GLY B 156
ALA B 151
THR B 139
HIS B 103
THR B 137
 None
 1.26A 1c9sA-1mioB:
undetectable
1c9sB-1mioB:
0.0		 1c9sA-1mioB:
9.76
1c9sB-1mioB:
9.76
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.
1n0w DNA REPAIR PROTEIN
RAD51 HOMOLOG 1

(Homo sapiens) 		PF08423
(Rad51) 		5 SER A 121
GLY A 116
ALA A 262
THR A 123
ILE A 102
 None
MG  A 401 (-3.8A)
None
None
None
 1.26A 1c9sA-1n0wA:
0.0
1c9sB-1n0wA:
0.0		 1c9sA-1n0wA:
14.40
1c9sB-1n0wA:
14.40
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.
1ps9 2,4-DIENOYL-COA
REDUCTASE

(Escherichia
coli) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 THR A 230
GLY A 248
THR A 272
THR A 247
ILE A 249
 None
 1.39A 1c9sA-1ps9A:
undetectable
1c9sB-1ps9A:
undetectable		 1c9sA-1ps9A:
8.10
1c9sB-1ps9A:
8.10
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.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 THR A 287
GLY A 152
ALA A 174
THR A 273
ILE A 167
 None
 1.09A 1c9sA-1q8fA:
undetectable
1c9sB-1q8fA:
undetectable		 1c9sA-1q8fA:
13.50
1c9sB-1q8fA:
13.50
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.
1v9c PRECORRIN-8X METHYL
MUTASE

(Thermus
thermophilus) 		PF02570
(CbiC) 		5 THR A  40
GLY A 188
ALA A 196
THR A  49
THR A 183
 None
 1.14A 1c9sA-1v9cA:
undetectable
1c9sB-1v9cA:
undetectable		 1c9sA-1v9cA:
19.25
1c9sB-1v9cA:
19.25
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.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ARG A  86
THR A  61
GLY A  92
THR A  91
ILE A  13
 None
 1.11A 1c9sA-1vm7A:
undetectable
1c9sB-1vm7A:
undetectable		 1c9sA-1vm7A:
12.22
1c9sB-1vm7A:
12.22
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.
1vpx PROTEIN
(TRANSALDOLASE (EC
2.2.1.2))

(Thermotoga
maritima) 		PF00923
(TAL_FSA) 		5 SER A  98
GLY A  90
ALA A 121
THR A 104
ILE A  91
 None
 1.37A 1c9sA-1vpxA:
undetectable
1c9sB-1vpxA:
undetectable		 1c9sA-1vpxA:
18.53
1c9sB-1vpxA:
18.53
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.
1yy5 FMS1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01593
(Amino_oxidase) 		5 SER A 495
ALA A  23
HIS A 480
THR A 252
ILE A  13
 None
None
None
FAD  A 803 (-4.6A)
None
 1.29A 1c9sA-1yy5A:
undetectable
1c9sB-1yy5A:
undetectable		 1c9sA-1yy5A:
9.73
1c9sB-1yy5A:
9.73
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.
1yy5 FMS1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01593
(Amino_oxidase) 		5 SER A 495
GLY A  15
ALA A  23
THR A 252
ILE A  13
 None
FAD  A 803 (-3.2A)
None
FAD  A 803 (-4.6A)
None
 0.97A 1c9sA-1yy5A:
undetectable
1c9sB-1yy5A:
undetectable		 1c9sA-1yy5A:
9.73
1c9sB-1yy5A:
9.73
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.
1z0f RAB14, MEMBER RAS
ONCOGENE FAMILY

(Homo sapiens) 		PF00071
(Ras) 		5 ARG A  82
GLY A  86
ALA A 109
THR A 117
ILE A 119
 None
 0.97A 1c9sA-1z0fA:
undetectable
1c9sB-1z0fA:
undetectable		 1c9sA-1z0fA:
16.57
1c9sB-1z0fA:
16.57
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.
1z6r MLC PROTEIN

(Escherichia
coli) 		PF00480
(ROK) 		5 THR A 200
SER A 209
GLY A 341
THR A 376
ILE A 340
 None
 1.28A 1c9sA-1z6rA:
undetectable
1c9sB-1z6rA:
undetectable		 1c9sA-1z6rA:
11.00
1c9sB-1z6rA:
11.00
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.
1zwx SPHINGOMYELINASE-C

(Listeria
ivanovii) 		PF03372
(Exo_endo_phos) 		5 GLY A 227
THR A 186
HIS A 185
THR A 184
ILE A 226
 None
 1.24A 1c9sA-1zwxA:
undetectable
1c9sB-1zwxA:
undetectable		 1c9sA-1zwxA:
13.62
1c9sB-1zwxA:
13.62
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.
2b3o TYROSINE-PROTEIN
PHOSPHATASE,
NON-RECEPTOR TYPE 6

(Homo sapiens) 		PF00017
(SH2)
PF00102
(Y_phosphatase) 		5 ARG A 358
THR A 351
GLY A 458
ALA A 455
ILE A 457
 None
 1.36A 1c9sA-2b3oA:
undetectable
1c9sB-2b3oA:
undetectable		 1c9sA-2b3oA:
10.15
1c9sB-2b3oA:
10.15
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.
2ciy CHLOROPEROXIDASE

(Leptoxyphium
fumago) 		PF01328
(Peroxidase_2) 		5 SER A 192
GLY A  62
ALA A 189
HIS A 226
ILE A  63
 None
None
None
None
HEM  A 396 (-4.3A)
 1.50A 1c9sA-2ciyA:
undetectable
1c9sB-2ciyA:
undetectable		 1c9sA-2ciyA:
12.75
1c9sB-2ciyA:
12.75
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.
2dw4 LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 SER A 817
GLY A 285
ALA A 293
THR A 624
ILE A 283
 None
FAD  A1001 (-3.2A)
None
FAD  A1001 (-4.9A)
None
 0.90A 1c9sA-2dw4A:
undetectable
1c9sB-2dw4A:
undetectable		 1c9sA-2dw4A:
8.15
1c9sB-2dw4A:
8.15
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.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 GLY B 677
ALA B 688
THR B 417
HIS B 682
ILE B 676
 None
None
None
NI  B 901 (-2.8A)
None
 1.12A 1c9sA-2fffB:
undetectable
1c9sB-2fffB:
undetectable		 1c9sA-2fffB:
11.03
1c9sB-2fffB:
11.03
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.
2i5b PHOSPHOMETHYLPYRIMID
INE KINASE

(Bacillus
subtilis) 		PF08543
(Phos_pyr_kin) 		5 GLY A 215
ALA A 239
THR A  26
THR A 217
ILE A 243
 ADP  A 301 (-3.2A)
None
None
None
ADP  A 301 (-4.1A)
 1.28A 1c9sA-2i5bA:
undetectable
1c9sB-2i5bA:
undetectable		 1c9sA-2i5bA:
18.03
1c9sB-2i5bA:
18.03
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.
2o56 PUTATIVE MANDELATE
RACEMASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 SER A  98
GLY A  90
ALA A  96
THR A 297
ILE A  92
 None
 1.32A 1c9sA-2o56A:
undetectable
1c9sB-2o56A:
undetectable		 1c9sA-2o56A:
11.99
1c9sB-2o56A:
11.99
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.
2p5u UDP-GLUCOSE
4-EPIMERASE

(Thermus
thermophilus) 		PF01370
(Epimerase) 		5 GLY A 299
ALA A 258
HIS A 306
THR A 303
ILE A 300
 None
 1.44A 1c9sA-2p5uA:
undetectable
1c9sB-2p5uA:
undetectable		 1c9sA-2p5uA:
12.68
1c9sB-2p5uA:
12.68
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.
2q1y CELL DIVISION
PROTEIN FTSZ

(Mycobacterium
tuberculosis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 107
ALA A  79
THR A  42
THR A 106
ILE A  16
 GSP  A 401 (-3.6A)
None
GSP  A 401 (-4.5A)
GSP  A 401 (-3.6A)
None
 1.36A 1c9sA-2q1yA:
undetectable
1c9sB-2q1yA:
undetectable		 1c9sA-2q1yA:
12.94
1c9sB-2q1yA:
12.94
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.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 ALA A 111
THR A  61
HIS A  62
THR A 124
ILE A 153
 None
None
ZN  A 501 (-3.3A)
None
None
 1.15A 1c9sA-2qt3A:
undetectable
1c9sB-2qt3A:
undetectable		 1c9sA-2qt3A:
14.29
1c9sB-2qt3A:
14.29
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.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		5 ALA A 348
THR A 333
HIS A 334
THR A 361
ILE A 396
 None
None
ZN  A1566 (-3.5A)
None
None
 1.22A 1c9sA-2w9mA:
undetectable
1c9sB-2w9mA:
undetectable		 1c9sA-2w9mA:
8.00
1c9sB-2w9mA:
8.00
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.
2xzl ATP-DEPENDENT
HELICASE NAM7

(Saccharomyces
cerevisiae) 		PF09416
(UPF1_Zn_bind)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 SER A 402
GLY A 435
ALA A 407
THR A 442
THR A 439
 None
ADP  A1854 (-3.1A)
ADP  A1854 ( 4.5A)
None
None
 1.21A 1c9sA-2xzlA:
undetectable
1c9sB-2xzlA:
undetectable		 1c9sA-2xzlA:
7.24
1c9sB-2xzlA:
7.24
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.
2y8u CHITIN DEACETYLASE

(Aspergillus
nidulans) 		PF01522
(Polysacc_deac_1) 		5 ARG A  67
GLY A  95
THR A 223
HIS A  92
THR A  69
 None
 1.20A 1c9sA-2y8uA:
undetectable
1c9sB-2y8uA:
undetectable		 1c9sA-2y8uA:
14.60
1c9sB-2y8uA:
14.60
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.
3a1n NDP-SUGAR EPIMERASE

(Thermoplasma
volcanium) 		PF01370
(Epimerase) 		5 THR A 112
SER A  74
GLY A 166
THR A 178
THR A 179
 NAD  A3001 ( 4.5A)
None
NAD  A3001 ( 4.6A)
None
NAD  A3001 ( 4.7A)
 1.33A 1c9sA-3a1nA:
undetectable
1c9sB-3a1nA:
undetectable		 1c9sA-3a1nA:
13.02
1c9sB-3a1nA:
13.02
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.
3b9g IAG-NUCLEOSIDE
HYDROLASE

(Trypanosoma
vivax) 		PF01156
(IU_nuc_hydro) 		5 THR A 295
GLY A 166
ALA A 194
THR A 284
ILE A 187
 None
 1.01A 1c9sA-3b9gA:
undetectable
1c9sB-3b9gA:
undetectable		 1c9sA-3b9gA:
13.11
1c9sB-3b9gA:
13.11
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.
3cb5 FACT COMPLEX SUBUNIT
SPT16

(Schizosaccharomyces
pombe) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		5 SER A 191
ALA A 187
THR A 426
THR A 414
ILE A 184
 None
 0.95A 1c9sA-3cb5A:
undetectable
1c9sB-3cb5A:
undetectable		 1c9sA-3cb5A:
9.95
1c9sB-3cb5A:
9.95
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.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		5 ARG A 290
GLY A 258
ALA A 218
THR A 237
ILE A 234
 None
 1.30A 1c9sA-3dc8A:
undetectable
1c9sB-3dc8A:
undetectable		 1c9sA-3dc8A:
10.52
1c9sB-3dc8A:
10.52
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.
3dt8 BRAIN
PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE IB
SUBUNIT ALPHA

(Bos taurus) 		PF13472
(Lipase_GDSL_2) 		5 ARG A  83
GLY A 116
HIS A  79
THR A  77
ILE A 117
 None
 1.30A 1c9sA-3dt8A:
undetectable
1c9sB-3dt8A:
undetectable		 1c9sA-3dt8A:
15.02
1c9sB-3dt8A:
15.02
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.
3e7d COBH, PRECORRIN-8X
METHYLMUTASE

(Brucella
abortus) 		PF02570
(CbiC) 		5 SER A 115
GLY A 111
ALA A 117
THR A 138
ILE A 110
 None
 1.31A 1c9sA-3e7dA:
undetectable
1c9sB-3e7dA:
undetectable		 1c9sA-3e7dA:
17.31
1c9sB-3e7dA:
17.31
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.
3ee4 PROBABLE
RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Mycobacterium
tuberculosis) 		PF00268
(Ribonuc_red_sm) 		5 THR A 173
GLY A 270
ALA A 238
THR A 267
ILE A 235
 MYR  A 315 ( 4.9A)
None
None
None
None
 1.38A 1c9sA-3ee4A:
undetectable
1c9sB-3ee4A:
undetectable		 1c9sA-3ee4A:
12.95
1c9sB-3ee4A:
12.95
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.
3eeg 2-ISOPROPYLMALATE
SYNTHASE

(Cytophaga
hutchinsonii) 		PF00682
(HMGL-like) 		5 SER A 214
GLY A 208
ALA A 212
THR A 239
HIS A 204
 None
 1.37A 1c9sA-3eegA:
undetectable
1c9sB-3eegA:
undetectable		 1c9sA-3eegA:
17.23
1c9sB-3eegA:
17.23
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.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN

(Geobacillus
kaustophilus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 SER A 385
ALA A 389
THR A 349
HIS A 348
ILE A 364
 None
None
None
MG  A   7 (-3.6A)
None
 1.43A 1c9sA-3f2bA:
undetectable
1c9sB-3f2bA:
undetectable		 1c9sA-3f2bA:
6.36
1c9sB-3f2bA:
6.36
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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 THR A 442
GLY A 174
ALA A 140
THR A 457
ILE A 173
 None
 1.18A 1c9sA-3hpaA:
undetectable
1c9sB-3hpaA:
undetectable		 1c9sA-3hpaA:
10.65
1c9sB-3hpaA:
10.65
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.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		5 SER A 322
GLY A  86
ALA A  94
THR A 246
ILE A  84
 None
AHZ  A 500 (-3.0A)
None
None
None
 1.14A 1c9sA-3jskA:
undetectable
1c9sB-3jskA:
undetectable		 1c9sA-3jskA:
13.37
1c9sB-3jskA:
13.37
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.
3k55 BETA-HEMOLYSIN

(Staphylococcus
aureus) 		PF03372
(Exo_endo_phos) 		5 GLY A 148
THR A 151
HIS A 150
THR A 149
ILE A 191
 None
 1.48A 1c9sA-3k55A:
undetectable
1c9sB-3k55A:
undetectable		 1c9sA-3k55A:
13.73
1c9sB-3k55A:
13.73
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.
3k55 BETA-HEMOLYSIN

(Staphylococcus
aureus) 		PF03372
(Exo_endo_phos) 		5 GLY A 192
THR A 151
HIS A 150
THR A 149
ILE A 191
 None
 1.22A 1c9sA-3k55A:
undetectable
1c9sB-3k55A:
undetectable		 1c9sA-3k55A:
13.73
1c9sB-3k55A:
13.73
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.
3k5h PHOSPHORIBOSYL-AMINO
IMIDAZOLE
CARBOXYLASE

(Aspergillus
clavatus) 		PF01262
(AlaDh_PNT_C)
PF02222
(ATP-grasp) 		5 THR A 358
GLY A 282
ALA A 221
HIS A 277
ILE A 307
 None
 1.26A 1c9sA-3k5hA:
undetectable
1c9sB-3k5hA:
undetectable		 1c9sA-3k5hA:
11.53
1c9sB-3k5hA:
11.53
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.
3kto RESPONSE REGULATOR
RECEIVER PROTEIN

(Pseudoalteromonas
atlantica) 		PF00072
(Response_reg) 		5 SER A 107
GLY A  58
ALA A 109
HIS A  85
ILE A 128
 None
 1.20A 1c9sA-3ktoA:
undetectable
1c9sB-3ktoA:
undetectable		 1c9sA-3ktoA:
18.94
1c9sB-3ktoA:
18.94
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.
3l4g PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Homo sapiens) 		PF01409
(tRNA-synt_2d) 		5 SER A 332
GLY A 458
THR A 328
HIS A 327
ILE A 373
 None
PHE  A 509 (-3.6A)
None
None
None
 1.43A 1c9sA-3l4gA:
undetectable
1c9sB-3l4gA:
undetectable		 1c9sA-3l4gA:
9.81
1c9sB-3l4gA:
9.81
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.
3l8k DIHYDROLIPOYL
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ARG A 319
GLY A  14
ALA A 325
THR A 304
ILE A 135
 None
 1.38A 1c9sA-3l8kA:
undetectable
1c9sB-3l8kA:
undetectable		 1c9sA-3l8kA:
11.76
1c9sB-3l8kA:
11.76
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.
3q88 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Francisella
tularensis) 		PF00342
(PGI) 		5 SER A 200
GLY A 144
THR A 203
THR A 206
ILE A 196
 RI2  A 601 (-2.6A)
None
RI2  A 601 (-3.3A)
RI2  A 601 ( 4.6A)
None
 1.47A 1c9sA-3q88A:
undetectable
1c9sB-3q88A:
undetectable		 1c9sA-3q88A:
10.28
1c9sB-3q88A:
10.28
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.
3rwb PYRIDOXAL
4-DEHYDROGENASE

(Mesorhizobium
loti) 		PF13561
(adh_short_C2) 		5 THR A 165
SER A 138
GLY A 160
ALA A 140
THR A 116
 None
 1.21A 1c9sA-3rwbA:
undetectable
1c9sB-3rwbA:
undetectable		 1c9sA-3rwbA:
16.06
1c9sB-3rwbA:
16.06
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.
3tz6 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ARG A 120
GLY A   6
ALA A 338
THR A  90
ILE A   5
 SO4  A 408 (-2.6A)
None
None
None
None
 1.43A 1c9sA-3tz6A:
undetectable
1c9sB-3tz6A:
undetectable		 1c9sA-3tz6A:
12.54
1c9sB-3tz6A:
12.54
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.
3u0o SELENIDE, WATER
DIKINASE

(Escherichia
coli) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 SER A 215
GLY A 325
ALA A 212
THR A 320
ILE A 326
 None
 1.27A 1c9sA-3u0oA:
undetectable
1c9sB-3u0oA:
undetectable		 1c9sA-3u0oA:
13.79
1c9sB-3u0oA:
13.79
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.
3v4b STARVATION SENSING
PROTEIN RSPA

(Cellvibrio
japonicus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 261
THR A 285
HIS A 288
THR A 284
ILE A 282
 None
 1.49A 1c9sA-3v4bA:
undetectable
1c9sB-3v4bA:
undetectable		 1c9sA-3v4bA:
12.60
1c9sB-3v4bA:
12.60
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.
3wpe TOLL-LIKE RECEPTOR 9

(Bos taurus) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		5 SER A 148
GLY A 133
HIS A 151
THR A 152
ILE A 134
 None
 1.17A 1c9sA-3wpeA:
undetectable
1c9sB-3wpeA:
undetectable		 1c9sA-3wpeA:
7.17
1c9sB-3wpeA:
7.17
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.
3x0y DSZC

(Rhodococcus
erythropolis) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 THR A 213
GLY A 209
HIS A 388
THR A 387
ILE A 208
 FMN  A 500 ( 4.6A)
None
FMN  A 500 (-4.6A)
None
None
 1.18A 1c9sA-3x0yA:
undetectable
1c9sB-3x0yA:
undetectable		 1c9sA-3x0yA:
11.36
1c9sB-3x0yA:
11.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zte TRYPTOPHAN OPERON
RNA-BINDING
ATTENUATION PROTEIN
(TRAP)

(Bacillus
licheniformis) 		PF02081
(TrpBP) 		5 GLY A  23
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A  80 (-3.5A)
TRP  A  80 (-2.8A)
None
TRP  A  80 (-3.6A)
TRP  A  80 ( 4.6A)
 0.25A 1c9sA-3zteA:
15.3
1c9sB-3zteA:
14.6		 1c9sA-3zteA:
78.21
1c9sB-3zteA:
78.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzl TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
halodurans) 		PF02081
(TrpBP) 		5 GLY A  23
ALA A  46
THR A  49
HIS A  51
THR A  52
 TRP  A  81 (-3.5A)
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
None
TRP  A  81 (-3.7A)
 0.21A 1c9sA-3zzlA:
13.2
1c9sB-3zzlA:
13.3		 1c9sA-3zzlA:
71.43
1c9sB-3zzlA:
71.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzq TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
subtilis) 		PF02081
(TrpBP) 		5 GLY A  23
ALA A  46
THR A  49
THR A  52
ILE A  55
 TRP  A  81 (-3.4A)
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
TRP  A  81 (-3.8A)
TRP  A  81 ( 4.4A)
 0.14A 1c9sA-3zzqA:
13.8
1c9sB-3zzqA:
13.9		 1c9sA-3zzqA:
80.00
1c9sB-3zzqA:
80.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzs TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Geobacillus
stearothermophilus) 		PF02081
(TrpBP) 		6 GLY A  23
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A1072 (-3.5A)
TRP  A1072 ( 3.8A)
TRP  A1072 (-2.9A)
None
TRP  A1072 (-3.8A)
TRP  A1072 ( 4.4A)
 0.13A 1c9sA-3zzsA:
13.7
1c9sB-3zzsA:
13.9		 1c9sA-3zzsA:
100.00
1c9sB-3zzsA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b27 TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
subtilis) 		PF02081
(TrpBP) 		6 GLY A  23
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 GLY  A  23 (-0.0A)
ALA  A  46 ( 0.0A)
THR  A  49 (-0.8A)
HIS  A  51 ( 1.0A)
THR  A  52 (-0.8A)
ILE  A  55 ( 0.6A)
 0.23A 1c9sA-4b27A:
13.2
1c9sB-4b27A:
13.4		 1c9sA-4b27A:
76.32
1c9sB-4b27A:
76.32
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.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		5 SER A 504
ALA A 500
THR A 572
THR A 545
ILE A 547
 None
 1.12A 1c9sA-4bx9A:
undetectable
1c9sB-4bx9A:
undetectable		 1c9sA-4bx9A:
7.91
1c9sB-4bx9A:
7.91
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.
4e6e CELL DIVISION
PROTEIN FTSZ

(Thermobifida
fusca) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 107
ALA A  79
THR A  42
THR A 106
ILE A  16
 SO4  A 607 (-3.4A)
None
None
SO4  A 607 (-4.3A)
None
 1.26A 1c9sA-4e6eA:
undetectable
1c9sB-4e6eA:
undetectable		 1c9sA-4e6eA:
12.06
1c9sB-4e6eA:
12.06
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.
4fc7 PEROXISOMAL
2,4-DIENOYL-COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 THR A  76
ALA A  69
HIS A  54
THR A  55
ILE A  57
 None
 1.15A 1c9sA-4fc7A:
undetectable
1c9sB-4fc7A:
undetectable		 1c9sA-4fc7A:
16.60
1c9sB-4fc7A:
16.60
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.
4fdd TRANSPORTIN-1

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 GLY A 733
ALA A 728
THR A 771
THR A 774
ILE A 732
 None
 1.37A 1c9sA-4fddA:
undetectable
1c9sB-4fddA:
undetectable		 1c9sA-4fddA:
6.80
1c9sB-4fddA:
6.80
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.
4fqd NIKO PROTEIN

(Streptomyces
tendae) 		PF00275
(EPSP_synthase) 		5 SER A 252
GLY A 203
ALA A 233
HIS A 207
ILE A 245
 None
 1.16A 1c9sA-4fqdA:
undetectable
1c9sB-4fqdA:
undetectable		 1c9sA-4fqdA:
9.50
1c9sB-4fqdA:
9.50
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.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 SER A 811
GLY A 389
ALA A 397
THR A 626
ILE A 387
 None
FAD  A 901 (-3.3A)
None
None
None
 0.94A 1c9sA-4hsuA:
undetectable
1c9sB-4hsuA:
undetectable		 1c9sA-4hsuA:
7.64
1c9sB-4hsuA:
7.64
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.
4lz6 BH2163 PROTEIN

(Bacillus
halodurans) 		PF01554
(MatE) 		5 SER A 271
GLY A  55
THR A 129
THR A 132
ILE A  58
 None
 1.10A 1c9sA-4lz6A:
undetectable
1c9sB-4lz6A:
undetectable		 1c9sA-4lz6A:
11.37
1c9sB-4lz6A:
11.37
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.
4nho PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX23

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ARG A 374
GLY A 433
ALA A 421
THR A 381
ILE A 431
 None
 1.29A 1c9sA-4nhoA:
undetectable
1c9sB-4nhoA:
undetectable		 1c9sA-4nhoA:
9.43
1c9sB-4nhoA:
9.43
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.
4nq1 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Legionella
pneumophila) 		PF00701
(DHDPS) 		5 GLY A  75
ALA A  96
THR A  88
THR A  76
ILE A  59
 None
 1.22A 1c9sA-4nq1A:
undetectable
1c9sB-4nq1A:
undetectable		 1c9sA-4nq1A:
15.71
1c9sB-4nq1A:
15.71
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.
4oht SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00171
(Aldedh) 		5 SER A 384
GLY A 390
ALA A 381
THR A 409
ILE A 407
 None
 1.22A 1c9sA-4ohtA:
undetectable
1c9sB-4ohtA:
undetectable		 1c9sA-4ohtA:
9.89
1c9sB-4ohtA:
9.89
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.
4oky RESTRICTION
ENDONUCLEASE PVURTS1
I

(Proteus
vulgaris) 		no annotation 5 ARG C 281
SER C 284
GLY C  95
ALA C 156
THR C  94
 None
 1.50A 1c9sA-4okyC:
undetectable
1c9sB-4okyC:
undetectable		 1c9sA-4okyC:
15.83
1c9sB-4okyC:
15.83
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.
4ov4 2-ISOPROPYLMALATE
SYNTHASE

(Leptospira
biflexa) 		PF00682
(HMGL-like) 		5 SER A 219
GLY A 213
ALA A 217
THR A 244
HIS A 209
 None
None
None
None
ZN  A 401 ( 3.4A)
 1.19A 1c9sA-4ov4A:
undetectable
1c9sB-4ov4A:
undetectable		 1c9sA-4ov4A:
11.11
1c9sB-4ov4A:
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.
4q0g PROBABLE
ACETYL-/PROPIONYL-CO
A CARBOXYLASE (BETA
SUBUNIT) ACCD1

(Mycobacterium
tuberculosis) 		PF01039
(Carboxyl_trans) 		5 THR A  87
GLY A  84
ALA A  71
HIS A 119
THR A 115
 None
 1.36A 1c9sA-4q0gA:
undetectable
1c9sB-4q0gA:
undetectable		 1c9sA-4q0gA:
9.33
1c9sB-4q0gA:
9.33
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.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 THR A 674
GLY A 758
ALA A 741
HIS A 647
THR A 756
 None
 1.38A 1c9sA-5dmyA:
undetectable
1c9sB-5dmyA:
undetectable		 1c9sA-5dmyA:
6.41
1c9sB-5dmyA:
6.41
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.
5dx5 METHIONINE
GAMMA-LYASE

(Clostridium
sporogenes) 		PF01053
(Cys_Met_Meta_PP) 		5 SER A  87
GLY A 245
ALA A  85
THR A 244
ILE A 240
 PLP  A 501 (-3.7A)
None
None
None
None
 1.34A 1c9sA-5dx5A:
undetectable
1c9sB-5dx5A:
undetectable		 1c9sA-5dx5A:
11.50
1c9sB-5dx5A:
11.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eex TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Geobacillus
stearothermophilus) 		PF02081
(TrpBP) 		6 GLY A  23
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 None
 0.16A 1c9sA-5eexA:
15.3
1c9sB-5eexA:
15.5		 1c9sA-5eexA:
100.00
1c9sB-5eexA:
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.
5eul PROTEIN TRANSLOCASE
SUBUNIT SECY

(Geobacillus
thermodenitrificans) 		PF00344
(SecY) 		5 THR Y 412
GLY Y 178
ALA Y 185
THR Y  21
ILE Y 182
 None
 1.29A 1c9sA-5eulY:
undetectable
1c9sB-5eulY:
undetectable		 1c9sA-5eulY:
10.61
1c9sB-5eulY:
10.61
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.
5f9p ANTHRONE
OXIDASE-LIKE PROTEIN

(Streptomyces
ambofaciens) 		PF03992
(ABM) 		5 SER A 229
GLY A 117
HIS A 226
THR A  48
ILE A 116
 None
 1.41A 1c9sA-5f9pA:
undetectable
1c9sB-5f9pA:
undetectable		 1c9sA-5f9pA:
15.35
1c9sB-5f9pA:
15.35
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.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 SER A 817
ALA A 293
HIS A 802
THR A 624
ILE A 283
 None
 1.26A 1c9sA-5l3dA:
undetectable
1c9sB-5l3dA:
undetectable		 1c9sA-5l3dA:
6.27
1c9sB-5l3dA:
6.27
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.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 SER A 817
GLY A 285
ALA A 293
THR A 624
ILE A 283
 None
FAD  A 901 (-3.3A)
None
None
None
 0.92A 1c9sA-5l3dA:
undetectable
1c9sB-5l3dA:
undetectable		 1c9sA-5l3dA:
6.27
1c9sB-5l3dA:
6.27
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.
5lgc ARCE4A

(Arthrobacter
sp. AW19M34-1) 		PF01522
(Polysacc_deac_1) 		5 GLY A  80
THR A 199
HIS A  77
THR A  54
ILE A 118
 None
 1.10A 1c9sA-5lgcA:
undetectable
1c9sB-5lgcA:
undetectable		 1c9sA-5lgcA:
17.89
1c9sB-5lgcA:
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.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30) 		PF09995
(DUF2236) 		5 SER A 186
GLY A 172
ALA A 180
THR A 190
ILE A 175
 None
 1.18A 1c9sA-5o1mA:
undetectable
1c9sB-5o1mA:
undetectable		 1c9sA-5o1mA:
12.64
1c9sB-5o1mA:
12.64
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.
5u2p SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Treponema
pallidum) 		PF01547
(SBP_bac_1) 		5 THR A 199
GLY A 310
ALA A 149
THR A 309
ILE A 147
 EDO  A 504 ( 4.2A)
EDO  A 504 ( 3.9A)
None
None
None
 1.33A 1c9sA-5u2pA:
undetectable
1c9sB-5u2pA:
undetectable		 1c9sA-5u2pA:
11.24
1c9sB-5u2pA:
11.24
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.
5uju NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00171
(Aldedh) 		5 THR A 210
SER A 132
ALA A 144
THR A 136
THR A 137
 None
 1.46A 1c9sA-5ujuA:
undetectable
1c9sB-5ujuA:
undetectable		 1c9sA-5ujuA:
8.35
1c9sB-5ujuA:
8.35
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 SER A 724
GLY A 874
ALA A 726
THR A 846
ILE A 696
 SO4  A2003 (-2.4A)
None
None
None
None
 1.16A 1c9sA-5ux5A:
undetectable
1c9sB-5ux5A:
undetectable		 1c9sA-5ux5A:
5.76
1c9sB-5ux5A:
5.76
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.
5wh8 PUTATIVE
CARBOHYDRATE-ACTIVE
ENZYME

(uncultured
organism) 		no annotation 5 SER A 346
GLY A 294
ALA A 328
THR A 287
THR A 288
 None
 1.45A 1c9sA-5wh8A:
undetectable
1c9sB-5wh8A:
undetectable		 1c9sA-5wh8A:
undetectable
1c9sB-5wh8A:
undetectable
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		5 THR A 550
ALA A 929
THR A 685
THR A 687
ILE A 961
 None
 1.49A 1c9sA-5x7sA:
undetectable
1c9sB-5x7sA:
2.1		 1c9sA-5x7sA:
4.73
1c9sB-5x7sA:
4.73
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.
5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 5 SER C 276
GLY C  65
ALA C 278
HIS C 271
ILE C 138
 None
 1.39A 1c9sA-5y6qC:
undetectable
1c9sB-5y6qC:
undetectable		 1c9sA-5y6qC:
undetectable
1c9sB-5y6qC:
undetectable
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.
5y6r GENOME POLYPROTEIN

(Pestivirus C) 		no annotation 5 GLY A 147
ALA A 622
HIS A 626
THR A 627
ILE A 148
 SO4  A 706 ( 4.4A)
None
SO4  A 706 (-3.9A)
None
None
 1.23A 1c9sA-5y6rA:
undetectable
1c9sB-5y6rA:
undetectable		 1c9sA-5y6rA:
undetectable
1c9sB-5y6rA:
undetectable
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.
5ygr DIAMINOPROPIONATE
AMMONIA LYASE

(Salmonella
enterica) 		no annotation 5 GLY A 126
ALA A 133
THR A 122
THR A 124
ILE A 159
 PO4  A 504 (-4.5A)
None
None
PO4  A 504 (-3.6A)
None
 1.00A 1c9sA-5ygrA:
undetectable
1c9sB-5ygrA:
undetectable		 1c9sA-5ygrA:
undetectable
1c9sB-5ygrA:
undetectable
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.
5zln TOLL-LIKE RECEPTOR 9

(Mus musculus) 		no annotation 5 SER A 149
GLY A 134
HIS A 152
THR A 153
ILE A 135
 None
 1.12A 1c9sA-5zlnA:
undetectable
1c9sB-5zlnA:
undetectable		 1c9sA-5zlnA:
undetectable
1c9sB-5zlnA:
undetectable
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.
6fuy VINCULIN

(Homo sapiens) 		no annotation 5 GLY A 222
ALA A 691
THR A 214
THR A 215
ILE A 681
 None
 1.21A 1c9sA-6fuyA:
undetectable
1c9sB-6fuyA:
undetectable		 1c9sA-6fuyA:
undetectable
1c9sB-6fuyA:
undetectable