SIMILAR PATTERNS OF AMINO ACIDS FOR 1AKD_A_CAMA420

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.
1ak2 ADENYLATE KINASE
ISOENZYME-2

(Bos taurus) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 THR A 105
GLY A 101
THR A  47
VAL A  80
ASP A  77
 None
 1.27A 1akdA-1ak2A:
undetectable		 1akdA-1ak2A:
21.53
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.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		5 LEU A  82
VAL A  83
GLY A  84
VAL A  36
VAL A 707
 None
 1.28A 1akdA-1cu1A:
0.0		 1akdA-1cu1A:
20.71
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.
1e8t HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		5 THR A 188
THR A 243
LEU A 206
GLY A 273
VAL A 312
 None
 1.06A 1akdA-1e8tA:
undetectable		 1akdA-1e8tA:
21.49
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.
1gso PROTEIN (GLYCINAMIDE
RIBONUCLEOTIDE
SYNTHETASE)

(Escherichia
coli) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 THR A 296
THR A  37
GLY A   9
VAL A   5
VAL A  30
 None
 1.25A 1akdA-1gsoA:
0.0		 1akdA-1gsoA:
25.16
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.
1msk COBALAMIN-DEPENDENT
METHIONINE SYNTHASE

(Escherichia
coli) 		PF02965
(Met_synt_B12) 		5 TYR A1181
LEU A1103
VAL A1063
GLY A 997
THR A1161
 None
 1.29A 1akdA-1mskA:
undetectable		 1akdA-1mskA:
22.01
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.
1nrw HYPOTHETICAL
PROTEIN, HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacillus
subtilis) 		PF08282
(Hydrolase_3) 		5 GLY A 255
THR A 269
VAL A 235
ASP A 241
VAL A 252
 None
None
None
CA  A 903 ( 4.3A)
None
 1.20A 1akdA-1nrwA:
undetectable		 1akdA-1nrwA:
20.74
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 LEU A1481
VAL A1469
GLY A1477
VAL A1411
VAL A1393
 None
 1.30A 1akdA-1ofeA:
0.0		 1akdA-1ofeA:
14.45
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.
1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT

(Pseudomonas
putida) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 THR B 217
LEU B 178
GLY B 229
THR B 227
VAL B 248
 None
 1.28A 1akdA-1qs0B:
undetectable		 1akdA-1qs0B:
23.01
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.
1s5j DNA POLYMERASE I

(Sulfolobus
solfataricus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 TYR A 459
THR A 567
VAL A 612
GLY A 611
VAL A 625
 None
 1.18A 1akdA-1s5jA:
undetectable		 1akdA-1s5jA:
18.76
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.
1u05 ORF, CONSERVED
HYPOTHETICAL PROTEIN

(Shigella
flexneri) 		PF02578
(Cu-oxidase_4) 		5 PHE A 112
LEU A 130
VAL A 134
GLY A 133
VAL A 205
 None
 1.13A 1akdA-1u05A:
undetectable		 1akdA-1u05A:
21.45
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.
1v5c CHITOSANASE

(Bacillus sp.
(in: Bacteria)) 		PF01270
(Glyco_hydro_8) 		5 THR A 421
THR A 390
LEU A 325
VAL A 328
VAL A  64
 None
 1.24A 1akdA-1v5cA:
undetectable		 1akdA-1v5cA:
22.20
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.
1wvg CDP-GLUCOSE
4,6-DEHYDRATASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		5 THR A  32
LEU A 241
GLY A  24
VAL A  14
VAL A  38
 None
 1.19A 1akdA-1wvgA:
undetectable		 1akdA-1wvgA:
23.36
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.
1y1p ALDEHYDE REDUCTASE
II

(Sporidiobolus
salmonicolor) 		PF01370
(Epimerase) 		5 THR A 131
LEU A  32
VAL A  28
GLY A 254
VAL A 204
 NMN  A1001 (-4.2A)
None
None
None
None
 1.00A 1akdA-1y1pA:
undetectable		 1akdA-1y1pA:
21.09
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.
1yfo RECEPTOR PROTEIN
TYROSINE PHOSPHATASE
ALPHA

(Mus musculus) 		PF00102
(Y_phosphatase) 		5 THR A 331
GLY A 436
THR A 440
VAL A 328
VAL A 330
 None
 1.28A 1akdA-1yfoA:
undetectable		 1akdA-1yfoA:
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.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE

(Aquifex
aeolicus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		5 TYR A 117
GLY A 162
THR A  45
VAL A  51
VAL A  49
 None
 1.13A 1akdA-1zjrA:
undetectable		 1akdA-1zjrA:
19.06
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.
2bi7 UDP-GALACTOPYRANOSE
MUTASE

(Klebsiella
pneumoniae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 THR A 362
VAL A 341
GLY A 342
THR A 355
VAL A  17
 None
None
FAD  A1385 (-3.4A)
FAD  A1385 (-3.4A)
None
 1.27A 1akdA-2bi7A:
undetectable		 1akdA-2bi7A:
20.51
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.
2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE

(Thermus
thermophilus) 		PF01557
(FAA_hydrolase)
PF10370
(DUF2437) 		6 THR A 254
VAL A 144
GLY A 115
THR A 187
VAL A 189
ASP A 240
 None
 1.41A 1akdA-2dfuA:
undetectable		 1akdA-2dfuA:
21.16
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.
2dwu GLUTAMATE RACEMASE

(Bacillus
anthracis) 		PF01177
(Asp_Glu_race) 		5 THR A 124
VAL A  75
GLY A  98
THR A 215
VAL A  22
 None
 1.23A 1akdA-2dwuA:
undetectable		 1akdA-2dwuA:
21.20
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.
2f43 ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 THR A 176
THR A 235
LEU A 216
VAL A 213
ASP A 270
 MG  A 602 ( 3.3A)
None
None
None
MG  A 602 ( 4.8A)
 1.14A 1akdA-2f43A:
undetectable		 1akdA-2f43A:
22.75
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.
2ify 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Bacillus
anthracis) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 THR A 462
GLY A 405
THR A 413
VAL A  24
VAL A 417
 None
 1.27A 1akdA-2ifyA:
0.8		 1akdA-2ifyA:
21.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		7 PHE A  87
TYR A  96
THR A 101
LEU A 244
GLY A 248
THR A 252
VAL A 295
 CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-2.9A)
HEM  A 501 (-4.5A)
HEM  A 501 (-3.9A)
HEM  A 501 (-3.4A)
HEM  A 501 (-4.6A)
 1.28A 1akdA-2m56A:
66.6		 1akdA-2m56A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		11 PHE A  87
TYR A  96
THR A 101
THR A 185
LEU A 244
VAL A 247
GLY A 248
THR A 252
VAL A 295
ASP A 297
VAL A 396
 CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-2.9A)
None
HEM  A 501 (-4.5A)
None
HEM  A 501 (-3.9A)
HEM  A 501 (-3.4A)
HEM  A 501 (-4.6A)
HEM  A 501 (-2.8A)
None
 0.26A 1akdA-2m56A:
66.6		 1akdA-2m56A:
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.
2nad NAD-DEPENDENT
FORMATE
DEHYDROGENASE

(Pseudomonas sp.
101) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 217
VAL A 194
GLY A 195
THR A 252
VAL A 154
 None
 1.24A 1akdA-2nadA:
undetectable		 1akdA-2nadA:
21.09
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.
2oix XANTHOMONAS OUTER
PROTEIN D

(Xanthomonas
euvesicatoria) 		PF02902
(Peptidase_C48) 		5 THR A 348
LEU A 475
VAL A 474
GLY A 477
VAL A 414
 None
 1.26A 1akdA-2oixA:
undetectable		 1akdA-2oixA:
18.73
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.
2p5z TYPE VI SECRETION
SYSTEM COMPONENT

(Escherichia
coli) 		PF05954
(Phage_GPD) 		5 THR X 384
THR X 448
VAL X 467
VAL X 409
VAL X 389
 None
 1.22A 1akdA-2p5zX:
undetectable		 1akdA-2p5zX:
22.27
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.
2prd PYROPHOSPHATE
PHOSPHOHYDROLASE

(Thermus
thermophilus) 		PF00719
(Pyrophosphatase) 		5 THR A  61
LEU A  69
VAL A 105
GLY A  71
VAL A  87
 None
 1.17A 1akdA-2prdA:
undetectable		 1akdA-2prdA:
18.23
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.
2ptg ENOYL-ACYL CARRIER
REDUCTASE

(Eimeria tenella) 		PF13561
(adh_short_C2) 		5 TYR A 283
VAL A 370
GLY A 371
VAL A 105
VAL A 229
 None
 1.12A 1akdA-2ptgA:
undetectable		 1akdA-2ptgA:
23.17
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.
2q8n GLUCOSE-6-PHOSPHATE
ISOMERASE

(Thermotoga
maritima) 		PF00342
(PGI) 		5 VAL A 205
GLY A 206
VAL A 109
ASP A 111
VAL A  71
 None
 0.87A 1akdA-2q8nA:
undetectable		 1akdA-2q8nA:
21.84
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.
2uxy ALIPHATIC AMIDASE

(Pseudomonas
aeruginosa) 		PF00795
(CN_hydrolase) 		5 LEU A 121
VAL A  99
GLY A  98
VAL A  13
VAL A  15
 None
 1.28A 1akdA-2uxyA:
undetectable		 1akdA-2uxyA:
22.84
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.
2wp8 EXOSOME COMPLEX
EXONUCLEASE DIS3

(Saccharomyces
cerevisiae) 		PF00773
(RNB)
PF13638
(PIN_4)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1) 		5 LEU J 292
VAL J 290
GLY J 276
VAL J 393
VAL J 392
 None
 1.24A 1akdA-2wp8J:
undetectable		 1akdA-2wp8J:
18.36
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.
3d4u CARBOXYPEPTIDASE B2

(Bos taurus) 		PF00246
(Peptidase_M14) 		5 LEU A  80
GLY A  84
THR A  87
VAL A  33
VAL A  52
 None
 0.96A 1akdA-3d4uA:
undetectable		 1akdA-3d4uA:
20.14
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.
3dzv 4-METHYL-5-(BETA-HYD
ROXYETHYL)THIAZOLE
KINASE

(Enterococcus
faecalis) 		PF02110
(HK) 		5 THR A 172
LEU A 203
VAL A 204
GLY A 205
VAL A  95
 ADP  A 500 (-3.5A)
None
None
None
None
 1.19A 1akdA-3dzvA:
undetectable		 1akdA-3dzvA:
22.51
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.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		5 TYR A 165
THR A 216
VAL A 121
GLY A 122
THR A 137
 None
 1.20A 1akdA-3emyA:
undetectable		 1akdA-3emyA:
21.45
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.
3eo3 BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE

(Homo sapiens) 		PF00480
(ROK) 		5 THR A 542
LEU A 540
VAL A 653
GLY A 652
VAL A 682
 None
 1.26A 1akdA-3eo3A:
undetectable		 1akdA-3eo3A:
23.04
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.
3f11 IRON TRANSPORT
PROTEIN

(Synechocystis
sp. PCC 6803) 		PF13343
(SBP_bac_6) 		5 LEU A 100
VAL A 280
GLY A 279
VAL A 317
VAL A 128
 None
 1.22A 1akdA-3f11A:
undetectable		 1akdA-3f11A:
23.13
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.
3fn4 NAD-DEPENDENT
FORMATE
DEHYDROGENASE

(Moraxella sp.) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 217
GLY A 195
THR A 252
VAL A 155
VAL A 158
 None
 1.26A 1akdA-3fn4A:
undetectable		 1akdA-3fn4A:
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.
3h7r ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		5 PHE A  73
THR A  12
THR A  75
VAL A 174
GLY A 152
 EDO  A 505 (-4.9A)
None
None
None
None
 1.30A 1akdA-3h7rA:
undetectable		 1akdA-3h7rA:
22.30
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.
3h7u ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		5 PHE A  77
THR A  12
THR A  79
VAL A 178
GLY A 156
 None
 1.28A 1akdA-3h7uA:
undetectable		 1akdA-3h7uA:
22.79
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.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 THR B 497
GLY B 428
THR B 436
VAL B  36
VAL B 440
 None
 1.24A 1akdA-3igzB:
undetectable		 1akdA-3igzB:
21.85
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.
3j1c CHAPERONIN ALPHA
SUBUNIT

(Acidianus
tengchongensis) 		PF00118
(Cpn60_TCP1) 		5 PHE A 105
TYR A 447
LEU A 425
THR A 509
VAL A 512
 None
 1.28A 1akdA-3j1cA:
2.1		 1akdA-3j1cA:
21.17
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.
3lst CALO1
METHYLTRANSFERASE

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2) 		5 LEU A 173
GLY A 177
VAL A 185
ASP A 187
VAL A 247
 None
None
None
SAH  A 346 ( 4.5A)
None
 1.16A 1akdA-3lstA:
undetectable		 1akdA-3lstA:
21.96
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.
3ly5 ATP-DEPENDENT RNA
HELICASE DDX18

(Homo sapiens) 		PF00270
(DEAD) 		5 PHE A 233
VAL A 270
GLY A 269
ASP A 333
VAL A 306
 None
 1.19A 1akdA-3ly5A:
undetectable		 1akdA-3ly5A:
21.92
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.
3osl CARBOXYPEPTIDASE B2

(Bos taurus) 		PF00246
(Peptidase_M14) 		5 LEU A 192
GLY A 196
THR A 199
VAL A 144
VAL A 163
 None
 0.96A 1akdA-3oslA:
undetectable		 1akdA-3oslA:
20.88
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.
3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 LEU A 290
GLY A 279
THR A 252
ASP A 262
VAL A 229
 None
 1.25A 1akdA-3tsdA:
undetectable		 1akdA-3tsdA:
24.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zby P450 HEME-THIOLATE
PROTEIN

(Mycolicibacterium
smegmatis) 		PF00067
(p450) 		5 LEU A 229
GLY A 233
THR A 237
VAL A 280
VAL A 383
 HEM  A1402 ( 4.6A)
EDO  A1406 ( 3.4A)
HEM  A1402 (-3.7A)
HEM  A1402 (-4.4A)
None
 0.90A 1akdA-3zbyA:
41.7		 1akdA-3zbyA:
30.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		6 TYR A  98
THR A 103
LEU A 252
GLY A 256
THR A 260
VAL A 404
 None
GOL  A1419 (-3.8A)
HEM  A1418 (-4.0A)
HEM  A1418 (-3.8A)
HEM  A1418 (-3.6A)
GOL  A1419 (-3.5A)
 1.27A 1akdA-4c9mA:
57.0		 1akdA-4c9mA:
44.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		9 TYR A  98
THR A 103
THR A 187
LEU A 252
GLY A 256
THR A 260
VAL A 303
ASP A 305
VAL A 404
 None
GOL  A1419 (-3.8A)
None
HEM  A1418 (-4.0A)
HEM  A1418 (-3.8A)
HEM  A1418 (-3.6A)
GOL  A1419 (-3.9A)
HEM  A1418 (-2.7A)
GOL  A1419 (-3.5A)
 0.56A 1akdA-4c9mA:
57.0		 1akdA-4c9mA:
44.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		6 PHE A  87
THR A 101
LEU A 250
GLY A 254
THR A 258
VAL A 301
 None
HEM  A 501 ( 4.8A)
HEM  A 501 (-4.3A)
PEG  A 502 (-3.8A)
HEM  A 501 (-3.7A)
PEG  A 502 ( 4.5A)
 1.49A 1akdA-4dxyA:
50.9		 1akdA-4dxyA:
46.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		7 PHE A  87
THR A 101
LEU A 250
GLY A 254
THR A 258
VAL A 301
VAL A 402
 None
HEM  A 501 ( 4.8A)
HEM  A 501 (-4.3A)
PEG  A 502 (-3.8A)
HEM  A 501 (-3.7A)
PEG  A 502 ( 4.5A)
None
 1.02A 1akdA-4dxyA:
50.9		 1akdA-4dxyA:
46.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 THR A 101
THR A 185
LEU A 250
GLY A 254
THR A 258
 HEM  A 501 ( 4.8A)
None
HEM  A 501 (-4.3A)
PEG  A 502 (-3.8A)
HEM  A 501 (-3.7A)
 1.02A 1akdA-4dxyA:
50.9		 1akdA-4dxyA:
46.24
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.
4f0q RESTRICTION
ENDONUCLEASE

(Mycobacterium
sp. JLS) 		PF04471
(Mrr_cat) 		5 TYR A 293
THR A 437
LEU A 433
VAL A 418
VAL A 386
 None
 1.21A 1akdA-4f0qA:
undetectable		 1akdA-4f0qA:
22.01
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.
4fzh HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		5 THR A 188
THR A 243
LEU A 206
GLY A 273
VAL A 312
 None
 1.20A 1akdA-4fzhA:
undetectable		 1akdA-4fzhA:
22.36
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.
4hgn 2-KETO-3-DEOXY-D-MAN
NO-OCTULOSONATE
8-PHOSPHATE
PHOSPHOHYDROLASE

(Bacteroides
thetaiotaomicron) 		PF08282
(Hydrolase_3) 		5 THR A  61
THR A  38
GLY A  20
THR A  25
VAL A  27
 None
None
MG  A 200 ( 4.3A)
None
None
 1.17A 1akdA-4hgnA:
undetectable		 1akdA-4hgnA:
17.15
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.
4hhr ALPHA-DIOXYGENASE

(Arabidopsis
thaliana) 		PF03098
(An_peroxidase) 		5 THR A 583
THR A 310
LEU A 290
VAL A 286
VAL A 313
 None
 1.27A 1akdA-4hhrA:
undetectable		 1akdA-4hhrA:
19.85
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.
4hzu ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA 1

(Lactobacillus
brevis) 		PF00005
(ABC_tran) 		5 THR B 198
LEU B  28
VAL B  30
VAL B  87
VAL B 166
 None
 1.10A 1akdA-4hzuB:
undetectable		 1akdA-4hzuB:
20.93
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.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 TYR A 573
THR A 590
GLY A 440
THR A 554
VAL A 546
 None
SO4  A 904 (-4.5A)
None
None
None
 1.21A 1akdA-4i3gA:
undetectable		 1akdA-4i3gA:
20.20
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.
4jmn PROBABLE
L,D-TRANSPEPTIDASE
LDTA

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		5 LEU A 125
VAL A 138
GLY A 127
VAL A 198
VAL A 207
 None
 1.28A 1akdA-4jmnA:
undetectable		 1akdA-4jmnA:
19.95
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.
4k9q BENZOYLFORMATE
DECARBOXYLASE

(Polynucleobacter
necessarius) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 THR A 441
VAL A 408
GLY A 409
VAL A  21
VAL A  42
 None
 1.22A 1akdA-4k9qA:
undetectable		 1akdA-4k9qA:
24.31
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.
4kdw ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 5 THR A  56
GLY A  32
VAL A  83
ASP A  43
VAL A  45
 None
None
None
GOL  A 208 (-4.4A)
None
 1.19A 1akdA-4kdwA:
undetectable		 1akdA-4kdwA:
14.49
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.
4kh3 ANTIGEN 43

(Escherichia
coli) 		PF16168
(AIDA) 		5 THR A 116
THR A  61
LEU A  99
GLY A  87
VAL A  71
 None
 1.21A 1akdA-4kh3A:
undetectable		 1akdA-4kh3A:
23.91
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.
4kvs ALDEHYDE
DECARBONYLASE

(Prochlorococcus
marinus) 		PF11266
(Ald_deCOase) 		5 TYR A  30
LEU A  87
VAL A  89
GLY A  84
VAL A  41
 None
None
None
None
6NA  A 301 ( 4.2A)
 1.27A 1akdA-4kvsA:
0.9		 1akdA-4kvsA:
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.
4l7z HPCH/HPAI ALDOLASE

(Chloroflexus
aurantiacus) 		PF03328
(HpcH_HpaI) 		5 LEU A  59
VAL A  91
GLY A  57
VAL A  78
VAL A  79
 None
 1.07A 1akdA-4l7zA:
undetectable		 1akdA-4l7zA:
23.66
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.
4n91 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Anaerococcus
prevotii) 		PF03480
(DctP) 		5 THR A 147
GLY A  48
VAL A  93
ASP A 242
VAL A 244
 None
None
None
GCU  A 401 ( 2.7A)
None
 0.96A 1akdA-4n91A:
undetectable		 1akdA-4n91A:
21.21
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.
4nk7 SERINE/THREONINE-PRO
TEIN KINASE PLK4

(Drosophila
melanogaster) 		no annotation 5 LEU A 409
GLY A 412
THR A 391
VAL A 495
VAL A 492
 None
 1.14A 1akdA-4nk7A:
undetectable		 1akdA-4nk7A:
19.47
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.
4p99 MPAFP_RII
TETRA-TANDEMER

(Marinomonas
primoryensis) 		no annotation 5 THR A  56
GLY A  32
VAL A  83
ASP A  43
VAL A  45
 None
None
None
CA  A 510 ( 4.9A)
None
 1.21A 1akdA-4p99A:
undetectable		 1akdA-4p99A:
21.01
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.
4p99 MPAFP_RII
TETRA-TANDEMER

(Marinomonas
primoryensis) 		no annotation 5 THR A 160
GLY A 136
VAL A 187
ASP A 147
VAL A 149
 None
None
None
CA  A 507 ( 4.9A)
None
 1.17A 1akdA-4p99A:
undetectable		 1akdA-4p99A:
21.01
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.
4p99 MPAFP_RII
TETRA-TANDEMER

(Marinomonas
primoryensis) 		no annotation 5 THR A 264
GLY A 240
VAL A 291
ASP A 251
VAL A 253
 None
None
None
CA  A 520 ( 4.7A)
None
 1.19A 1akdA-4p99A:
undetectable		 1akdA-4p99A:
21.01
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.
4p99 MPAFP_RII
TETRA-TANDEMER

(Marinomonas
primoryensis) 		no annotation 5 THR A 368
GLY A 344
VAL A 395
ASP A 355
VAL A 357
 None
 1.20A 1akdA-4p99A:
undetectable		 1akdA-4p99A:
21.01
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.
4qan HYPOTHETICAL PROTEIN

([Ruminococcus]
gnavus) 		no annotation 5 THR A  94
GLY A 206
THR A 190
VAL A 192
VAL A 171
 None
 1.29A 1akdA-4qanA:
undetectable		 1akdA-4qanA:
23.19
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.
4qnl TAIL FIBER PROTEIN

(Escherichia
virus G7C) 		no annotation 5 TYR A 391
GLY A 274
THR A 278
VAL A 412
VAL A 414
 None
 1.29A 1akdA-4qnlA:
undetectable		 1akdA-4qnlA:
18.17
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.
4re2 BETA-MANNOSIDASE/BET
A-GLUCOSIDASE

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 THR A  26
VAL A 455
GLY A 453
VAL A  33
VAL A  67
 None
 1.15A 1akdA-4re2A:
undetectable		 1akdA-4re2A:
21.72
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.
4s1p UNCHARACTERIZED
PROTEIN

(Slackia
heliotrinireducens) 		PF13472
(Lipase_GDSL_2) 		5 TYR A  80
THR A 103
LEU A  38
GLY A   7
THR A  11
 None
 1.20A 1akdA-4s1pA:
undetectable		 1akdA-4s1pA:
20.05
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.
4yac C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 THR A  91
VAL A  18
GLY A  21
ASP A  38
VAL A  11
 None
NAI  A 500 (-4.0A)
None
NAI  A 500 (-2.6A)
None
 1.27A 1akdA-4yacA:
undetectable		 1akdA-4yacA:
21.26
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.
4ymw ABC-TYPE POLAR AMINO
ACID TRANSPORT
SYSTEM, ATPASE
COMPONENT

(Caldanaerobacter
subterraneus) 		no annotation 5 THR J 188
LEU J  22
VAL J  24
VAL J  79
VAL J 157
 None
 1.17A 1akdA-4ymwJ:
undetectable		 1akdA-4ymwJ:
19.61
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.
4z19 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Yersinia pestis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 THR A 253
LEU A 219
GLY A 310
THR A 116
VAL A 279
 None
 1.29A 1akdA-4z19A:
undetectable		 1akdA-4z19A:
21.43
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.
5a0t RIBONUCLEASE J

(Streptomyces
coelicolor) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 THR A  35
LEU A 405
VAL A 398
VAL A 431
VAL A  21
 None
 1.30A 1akdA-5a0tA:
undetectable		 1akdA-5a0tA:
21.44
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.
5ah4 DNA POLYMERASE III
SUBUNIT BETA

(Mycolicibacterium
smegmatis) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 THR A  88
LEU A  84
VAL A  43
VAL A  67
VAL A  65
 None
 1.28A 1akdA-5ah4A:
undetectable		 1akdA-5ah4A:
23.93
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.
5anb ELONGATION FACTOR TU
GTP-BINDING
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF14492
(EFG_II) 		5 PHE K 873
LEU K 887
VAL K 890
GLY K 889
THR K 763
 None
 1.17A 1akdA-5anbK:
undetectable		 1akdA-5anbK:
16.99
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.
5bp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Geobacter
sulfurreducens) 		PF13847
(Methyltransf_31) 		5 LEU A  26
GLY A  30
VAL A  41
ASP A  43
VAL A 107
 None
None
None
SAH  A 301 ( 4.5A)
None
 0.90A 1akdA-5bp7A:
undetectable		 1akdA-5bp7A:
20.57
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.
5btb AFR263CP

(Eremothecium
gossypii) 		PF08652
(RAI1) 		5 THR A 316
LEU A  18
VAL A 205
GLY A 204
VAL A 109
 None
 1.19A 1akdA-5btbA:
undetectable		 1akdA-5btbA:
22.68
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.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		5 LEU A  25
GLY A  29
VAL A  40
ASP A  42
VAL A 106
 None
None
None
SAH  A 301 ( 4.5A)
None
 0.91A 1akdA-5epeA:
undetectable		 1akdA-5epeA:
19.86
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.
5fif CARBOXYLASE

(Deinococcus
radiodurans) 		PF01039
(Carboxyl_trans) 		5 PHE A 414
LEU A 403
GLY A 426
THR A 382
VAL A 380
 None
 1.28A 1akdA-5fifA:
undetectable		 1akdA-5fifA:
21.40
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.
5hax NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF08801
(Nucleoporin_N) 		5 PHE A 150
LEU A 234
VAL A 220
GLY A 219
VAL A 192
 None
 1.24A 1akdA-5haxA:
undetectable		 1akdA-5haxA:
21.15
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.
5irb RTX-ADHESIN

(Marinomonas
primoryensis) 		no annotation 5 THR A 342
GLY A 319
VAL A 369
ASP A 329
VAL A 331
 None
 1.17A 1akdA-5irbA:
undetectable		 1akdA-5irbA:
19.12
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.
5irb RTX-ADHESIN

(Marinomonas
primoryensis) 		no annotation 5 THR A 446
GLY A 422
VAL A 473
ASP A 433
VAL A 435
 None
 1.20A 1akdA-5irbA:
undetectable		 1akdA-5irbA:
19.12
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT BETA

(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF10418
(DHODB_Fe-S_bind) 		5 THR S 225
LEU L 226
VAL L 227
GLY L 228
THR L 414
 None
FAD  L 503 ( 4.8A)
FAD  L 503 (-3.9A)
None
None
 1.27A 1akdA-5jfcS:
undetectable		 1akdA-5jfcS:
21.78
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.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 VAL A 137
GLY A 136
VAL A 378
ASP A 101
VAL A 380
 None
 1.29A 1akdA-5ju6A:
undetectable		 1akdA-5ju6A:
19.75
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.
5k52 ALDEHYDE
DECARBONYLASE

(Limnothrix sp.
KNUA012) 		PF11266
(Ald_deCOase) 		5 TYR A  17
LEU A  74
VAL A  76
GLY A  71
VAL A  28
 None
None
None
None
OCD  A 500 ( 4.6A)
 1.29A 1akdA-5k52A:
undetectable		 1akdA-5k52A:
21.88
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.
5k53 ALDEHYDE
DEFORMYLATING
OXYGENASE

(Oscillatoria
sp.) 		PF11266
(Ald_deCOase) 		5 TYR A  17
LEU A  74
VAL A  76
GLY A  71
VAL A  28
 None
None
None
None
STE  A 502 ( 4.8A)
 1.21A 1akdA-5k53A:
undetectable		 1akdA-5k53A:
21.55
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.
5k8g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 5 THR A  56
GLY A  32
VAL A  84
ASP A  43
VAL A  45
 None
None
None
CA  A 615 ( 4.7A)
None
 1.18A 1akdA-5k8gA:
undetectable		 1akdA-5k8gA:
21.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kyo CYP101J2

(Sphingobium
yanoikuyae) 		PF00067
(p450) 		5 VAL A 249
GLY A 250
THR A 254
VAL A 297
VAL A 398
 None
HEM  A 501 (-3.8A)
HEM  A 501 (-3.5A)
HEM  A 501 (-4.3A)
None
 0.81A 1akdA-5kyoA:
50.1		 1akdA-5kyoA:
40.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kyo CYP101J2

(Sphingobium
yanoikuyae) 		PF00067
(p450) 		5 VAL A 249
GLY A 251
THR A 254
VAL A 297
VAL A 398
 None
HEM  A 501 (-3.3A)
HEM  A 501 (-3.5A)
HEM  A 501 (-4.3A)
None
 0.93A 1akdA-5kyoA:
50.1		 1akdA-5kyoA:
40.60
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.
5ocp -

(-) 		no annotation 5 LEU A  33
VAL A   3
GLY A   4
VAL A  87
VAL A  85
 None
 1.14A 1akdA-5ocpA:
undetectable		 1akdA-5ocpA:
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.
5sy5 ARYL HYDROCARBON
RECEPTOR NUCLEAR
TRANSLOCATOR

(Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11) 		5 LEU A 225
VAL A 179
GLY A 184
THR A 208
VAL A 213
 None
 1.13A 1akdA-5sy5A:
undetectable		 1akdA-5sy5A:
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.
5sy5 ARYL HYDROCARBON
RECEPTOR NUCLEAR
TRANSLOCATOR

(Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11) 		5 PHE A 263
VAL A 179
GLY A 184
THR A 208
VAL A 213
 None
 1.13A 1akdA-5sy5A:
undetectable		 1akdA-5sy5A:
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.
5uqd DUMPY: SHORTER THAN
WILD-TYPE

(Caenorhabditis
elegans) 		no annotation 5 PHE A1595
VAL A1292
GLY A1291
VAL A1591
VAL A1530
 AKG  A1701 (-3.8A)
None
None
None
None
 1.28A 1akdA-5uqdA:
undetectable		 1akdA-5uqdA:
21.89
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.
5vev PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Neisseria
gonorrhoeae) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 THR A 294
THR A  37
GLY A   9
VAL A   5
VAL A  30
 None
 1.22A 1akdA-5vevA:
undetectable		 1akdA-5vevA:
23.56
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.
6bld CYTOCHROME P450
268A2 CYP268A2

(Mycobacterium
marinum) 		no annotation 5 LEU A 256
VAL A 259
THR A 264
VAL A 308
VAL A 409
 HEM  A 501 ( 4.8A)
DXJ  A 502 (-4.5A)
HEM  A 501 (-3.4A)
HEM  A 501 ( 4.6A)
None
 0.85A 1akdA-6bldA:
41.2		 1akdA-6bldA:
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.
6d47 BETA SLIDING CLAMP

(Mycobacterium
marinum) 		no annotation 5 THR A  90
LEU A  86
VAL A  45
VAL A  69
VAL A  67
 None
 1.29A 1akdA-6d47A:
undetectable		 1akdA-6d47A:
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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 PHE A  34
TYR A  30
THR A 213
LEU A 274
VAL A 325
 None
 1.28A 1akdA-6eu6A:
undetectable		 1akdA-6eu6A:
undetectable