SIMILAR PATTERNS OF AMINO ACIDS FOR 3RUK_B_AERB601

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.
1b1c PROTEIN
(NADPH-CYTOCHROME
P450 REDUCTASE)

(Homo sapiens) 		PF00258
(Flavodoxin_1) 		5 ALA A  52
ASN A  19
ILE A  68
GLY A  49
THR A  16
 None
 0.84A 3rukB-1b1cA:
undetectable		 3rukB-1b1cA:
17.70
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.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 211
PHE A 233
ILE A 112
LEU A 346
GLY A 205
 None
 1.07A 3rukB-1e5mA:
undetectable		 3rukB-1e5mA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g5u PROFILIN

(Hevea
brasiliensis) 		PF00235
(Profilin) 		5 ALA A1049
ILE A1026
ILE A1103
LEU A1101
VAL A1094
 None
 1.00A 3rukB-1g5uA:
undetectable		 3rukB-1g5uA:
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.
1gju MALTODEXTRIN
GLYCOSYLTRANSFERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09083
(DUF1923) 		5 PHE A 128
ILE A 556
LEU A 553
GLY A 133
ALA A 134
 None
 0.87A 3rukB-1gjuA:
undetectable		 3rukB-1gjuA:
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.
1k0r NUSA

(Mycobacterium
tuberculosis) 		PF08529
(NusA_N)
PF13184
(KH_5) 		5 ILE A 303
LEU A 299
ASP A 322
VAL A 294
VAL A 277
 None
 0.69A 3rukB-1k0rA:
undetectable		 3rukB-1k0rA:
21.05
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.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		5 PHE A  79
ASP A  91
GLY A  93
ALA A  95
VAL A  55
 None
 1.03A 3rukB-1kt1A:
undetectable		 3rukB-1kt1A:
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.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 ILE A  57
LEU A  60
GLY A  34
VAL A  67
VAL A 133
 None
 1.01A 3rukB-1kwgA:
undetectable		 3rukB-1kwgA:
21.24
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.
1l1l RIBONUCLEOSIDE
TRIPHOSPHATE
REDUCTASE

(Lactobacillus
leichmannii) 		PF02867
(Ribonuc_red_lgC) 		5 ILE A 477
LEU A 481
ALA A 636
VAL A 489
VAL A 490
 None
 1.04A 3rukB-1l1lA:
undetectable		 3rukB-1l1lA:
22.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nr6 CYTOCHROME P450 2C5

(Oryctolagus
cuniculus) 		PF00067
(p450) 		6 ALA A 113
PHE A 114
ASP A 290
GLY A 293
ALA A 294
THR A 298
 DIF  A 501 (-3.6A)
DIF  A 501 (-4.5A)
None
DIF  A 501 (-3.8A)
DIF  A 501 ( 3.3A)
HEM  A 500 ( 3.6A)
 0.76A 3rukB-1nr6A:
44.1		 3rukB-1nr6A:
32.81
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.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		5 ALA A 269
LEU A 261
ALA A 253
THR A 251
VAL A 283
 None
None
NDP  A1003 (-3.3A)
None
None
 0.97A 3rukB-1q5mA:
undetectable		 3rukB-1q5mA:
22.40
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.
1qgo ANAEROBIC COBALAMIN
BIOSYNTHETIC COBALT
CHELATASE

(Salmonella
enterica) 		PF06180
(CbiK) 		5 ILE A  84
ILE A  85
LEU A 114
GLY A 144
ALA A 173
 None
SO4  A 400 ( 4.2A)
None
None
None
 0.96A 3rukB-1qgoA:
undetectable		 3rukB-1qgoA:
21.19
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.
1qqe VESICULAR TRANSPORT
PROTEIN SEC17

(Saccharomyces
cerevisiae) 		PF14938
(SNAP) 		5 PHE A 240
ILE A 280
ILE A 276
LEU A 277
GLY A 206
 None
 1.00A 3rukB-1qqeA:
undetectable		 3rukB-1qqeA:
19.64
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.
1uy4 ENDO-1,4-BETA-XYLANA
SE A

([Clostridium]
stercorarium) 		PF03422
(CBM_6) 		5 ALA A  74
PHE A  72
ILE A  63
ALA A  26
VAL A  58
 None
 0.98A 3rukB-1uy4A:
undetectable		 3rukB-1uy4A:
15.03
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.
1xp3 ENDONUCLEASE IV

(Bacillus
anthracis) 		PF01261
(AP_endonuc_2) 		5 ILE A 127
ILE A 128
LEU A 131
ALA A 163
VAL A 169
 None
 0.65A 3rukB-1xp3A:
undetectable		 3rukB-1xp3A:
22.65
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.
2a5h L-LYSINE
2,3-AMINOMUTASE

(Clostridium
subterminale) 		PF04055
(Radical_SAM)
PF12544
(LAM_C) 		5 ILE A 184
ILE A 185
LEU A 188
VAL A 197
VAL A 225
 None
 0.96A 3rukB-2a5hA:
undetectable		 3rukB-2a5hA:
22.03
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.
2asb TRANSCRIPTION
ELONGATION PROTEIN
NUSA

(Mycobacterium
tuberculosis) 		PF13184
(KH_5) 		5 ILE A 303
LEU A 299
ASP A 322
VAL A 294
VAL A 277
 A  B   7 ( 3.6A)
A  B   7 ( 4.0A)
U  B   9 ( 3.8A)
None
None
 0.76A 3rukB-2asbA:
undetectable		 3rukB-2asbA:
19.60
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.
2b9l PROPHENOLOXIDASE
ACTIVATING FACTOR

(Holotrichia
diomphalia) 		PF00089
(Trypsin) 		5 ILE A 190
ALA A 254
THR A 197
VAL A 194
VAL A 195
 None
 1.02A 3rukB-2b9lA:
undetectable		 3rukB-2b9lA:
22.96
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.
2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE

(Bacillus sp.
707) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 ASN A  95
ILE A  97
ALA A  88
VAL A  42
VAL A  99
 None
 0.96A 3rukB-2d3lA:
undetectable		 3rukB-2d3lA:
21.52
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.
2d9p POLYADENYLATE-BINDIN
G PROTEIN 3

(Homo sapiens) 		PF00076
(RRM_1) 		5 ALA A 323
ILE A 305
LEU A 301
VAL A 298
VAL A 365
 None
 1.06A 3rukB-2d9pA:
undetectable		 3rukB-2d9pA:
12.37
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.
2dic FILAMIN-B

(Homo sapiens) 		PF00630
(Filamin) 		5 ALA A  68
PHE A  32
ILE A  89
GLY A  45
VAL A  80
 None
 1.06A 3rukB-2dicA:
undetectable		 3rukB-2dicA:
11.49
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.
2fvl ALDO-KETO REDUCTASE
FAMILY 1, MEMBER C4

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 ALA A 269
LEU A 261
ALA A 253
THR A 251
VAL A 283
 NAP  A1001 ( 4.9A)
None
NAP  A1001 (-3.4A)
None
None
 0.94A 3rukB-2fvlA:
undetectable		 3rukB-2fvlA:
21.57
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.
2ggr PROTO-ONCOGENE C-CRK

(Mus musculus) 		PF07653
(SH3_2) 		5 ILE A 238
LEU A 293
GLY A 277
VAL A 291
VAL A 242
 None
 0.99A 3rukB-2ggrA:
undetectable		 3rukB-2ggrA:
10.54
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.
2gtx METHIONINE
AMINOPEPTIDASE

(Escherichia
coli) 		PF00557
(Peptidase_M24) 		5 PHE A 201
ILE A 144
LEU A 195
GLY A 150
VAL A 140
 None
 0.92A 3rukB-2gtxA:
undetectable		 3rukB-2gtxA:
17.64
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.
2i8l HYDROGENASE 3
MATURATION PROTEASE

(Escherichia
coli) 		PF01750
(HycI) 		5 ALA A  49
ILE A  60
LEU A  58
GLY A  39
VAL A  36
 None
 0.95A 3rukB-2i8lA:
undetectable		 3rukB-2i8lA:
16.02
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.
2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 ALA A 269
LEU A 261
ALA A 253
THR A 251
VAL A 283
 NAP  A   1 ( 4.8A)
None
NAP  A   1 (-3.5A)
None
None
 0.91A 3rukB-2ipjA:
undetectable		 3rukB-2ipjA:
22.71
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.
2j3r ZGC 92866

(Danio rerio) 		PF04051
(TRAPP) 		5 ILE B 172
LEU B 170
ALA B 149
THR B 152
VAL B 160
 None
 0.99A 3rukB-2j3rB:
undetectable		 3rukB-2j3rB:
15.55
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.
2k1s INNER MEMBRANE
LIPOPROTEIN YIAD

(Escherichia
coli) 		PF00691
(OmpA) 		5 ALA A  43
PHE A  38
ILE A 136
THR A 110
VAL A 134
 None
 0.92A 3rukB-2k1sA:
undetectable		 3rukB-2k1sA:
15.40
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.
2mu3 ACINIFORM SPIDROIN 1

(Argiope
trifasciata) 		PF12042
(RP1-2) 		5 ILE A 105
LEU A 117
GLY A  98
ALA A  97
VAL A 120
 None
 0.92A 3rukB-2mu3A:
undetectable		 3rukB-2mu3A:
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.
2p4h VESTITONE REDUCTASE

(Medicago sativa) 		PF01370
(Epimerase) 		5 ILE X  21
ILE X  22
LEU X  25
THR X  35
VAL X  32
 None
 0.78A 3rukB-2p4hX:
undetectable		 3rukB-2p4hX:
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.
2r7a BACTERIAL HEME
BINDING PROTEIN

(Shigella
dysenteriae) 		PF01497
(Peripla_BP_2) 		5 ILE A 186
LEU A 189
GLY A 260
VAL A 267
VAL A 266
 None
 0.84A 3rukB-2r7aA:
undetectable		 3rukB-2r7aA:
19.92
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.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 208
PHE A 229
ILE A 109
LEU A 339
GLY A 202
 None
 1.03A 3rukB-2rjtA:
undetectable		 3rukB-2rjtA:
21.81
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.
2vug PAB1020

(Pyrococcus
abyssi) 		PF09414
(RNA_ligase) 		5 ASN A 248
ILE A 252
ILE A 249
ALA A 275
VAL A 291
 None
 0.92A 3rukB-2vugA:
undetectable		 3rukB-2vugA:
21.73
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.
2xro HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGV

(Pseudomonas
putida) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		5 ILE A  53
ILE A  54
LEU A  57
ALA A  26
VAL A  63
 None
 1.00A 3rukB-2xroA:
undetectable		 3rukB-2xroA:
18.81
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.
3a1w IRON(II) TRANSPORT
PROTEIN B

(Thermotoga
maritima) 		PF02421
(FeoB_N) 		5 ILE A 141
LEU A 146
THR A 157
VAL A 154
VAL A 155
 None
 0.93A 3rukB-3a1wA:
undetectable		 3rukB-3a1wA:
17.38
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.
3cax UNCHARACTERIZED
PROTEIN PF0695

(Pyrococcus
furiosus) 		PF01814
(Hemerythrin)
PF13596
(PAS_10) 		5 ALA A 146
PHE A 236
ILE A 214
ALA A 244
VAL A 169
 None
 0.83A 3rukB-3caxA:
undetectable		 3rukB-3caxA:
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.
3cpx AMINOPEPTIDASE, M42
FAMILY

(Cytophaga
hutchinsonii) 		PF05343
(Peptidase_M42) 		5 ILE A  28
ILE A  24
LEU A  25
ALA A 167
THR A 169
 None
 1.06A 3rukB-3cpxA:
undetectable		 3rukB-3cpxA:
22.92
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.
3d7j UNCHARACTERIZED
PROTEIN SCO6650

(Streptomyces
coelicolor) 		PF01242
(PTPS) 		5 ALA A  36
LEU A 104
GLY A 113
VAL A  50
VAL A  49
 None
 0.91A 3rukB-3d7jA:
undetectable		 3rukB-3d7jA:
16.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e4e CYTOCHROME P450 2E1

(Homo sapiens) 		PF00067
(p450) 		5 ALA A 438
ILE A 183
LEU A 265
GLY A 300
ALA A 299
 HEM  A 500 (-3.8A)
None
None
HEM  A 500 (-3.4A)
HEM  A 500 ( 3.3A)
 0.98A 3rukB-3e4eA:
43.4		 3rukB-3e4eA:
31.76
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.
3g74 PROTEIN OF UNKNOWN
FUNCTION

(Eubacterium
ventriosum) 		PF12164
(SporV_AA) 		5 ILE A  15
GLY A  23
ALA A  26
VAL A  85
VAL A  13
 None
 1.00A 3rukB-3g74A:
undetectable		 3rukB-3g74A:
13.22
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.
3hrd NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri) 		PF02738
(Ald_Xan_dh_C2) 		5 ALA B 189
ILE B 316
LEU B 236
ALA B 301
VAL B 235
 None
 1.06A 3rukB-3hrdB:
undetectable		 3rukB-3hrdB:
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.
3k6g TELOMERIC
REPEAT-BINDING
FACTOR 2-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF11626
(Rap1_C) 		5 ILE A 317
ILE A 318
LEU A 321
GLY A 341
VAL A 332
 None
 0.92A 3rukB-3k6gA:
undetectable		 3rukB-3k6gA:
14.07
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.
3lpz GET4 (YOR164C
HOMOLOG)

(Chaetomium
thermophilum) 		PF04190
(DUF410) 		5 ILE A   8
ILE A   9
LEU A  12
ALA A  47
VAL A  54
 None
 0.69A 3rukB-3lpzA:
undetectable		 3rukB-3lpzA:
22.24
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.
3mq3 PYRUVATE
DEHYDROGENASE
PHOSPHATASE 1

(Bos taurus) 		PF00481
(PP2C) 		5 ILE A 449
ILE A 412
LEU A 411
GLY A 348
VAL A 416
 None
 1.06A 3rukB-3mq3A:
undetectable		 3rukB-3mq3A:
24.91
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.
3nu8 AMINOTRANSFERASE
WBPE

(Pseudomonas
aeruginosa) 		PF01041
(DegT_DnrJ_EryC1) 		5 ILE A  18
ILE A  22
ALA A 235
THR A 232
VAL A  25
 None
 1.02A 3rukB-3nu8A:
undetectable		 3rukB-3nu8A:
22.29
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.
3pm0 CYTOCHROME P450 1B1

(Homo sapiens) 		PF00067
(p450) 		6 ALA A 133
PHE A 134
ASP A 326
GLY A 329
ALA A 330
THR A 334
 HEM  A 900 (-3.3A)
BHF  A 800 (-4.8A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
 0.52A 3rukB-3pm0A:
41.4		 3rukB-3pm0A:
29.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3puo DIHYDRODIPICOLINATE
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00701
(DHDPS) 		5 ILE A  74
GLY A  43
THR A  11
VAL A  60
VAL A  59
 None
 1.04A 3rukB-3puoA:
undetectable		 3rukB-3puoA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sqg METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(uncultured
archaeon) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 ALA B 267
ASN B 326
ILE B 327
GLY B 309
ALA B 308
 None
 0.96A 3rukB-3sqgB:
undetectable		 3rukB-3sqgB:
24.05
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.
3tbh O-ACETYL SERINE
SULFHYDRYLASE

(Leishmania
donovani) 		PF00291
(PALP) 		5 ILE A 231
GLY A 253
ALA A 252
THR A 213
VAL A 210
 None
 0.89A 3rukB-3tbhA:
undetectable		 3rukB-3tbhA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3voq TARGET OF RAPAMYCIN
COMPLEX 2 SUBUNIT
MAPKAP1

(Homo sapiens) 		PF16979
(SIN1_PH) 		5 PHE A 453
ILE A 411
LEU A 402
THR A 397
VAL A 388
 None
 0.97A 3rukB-3voqA:
undetectable		 3rukB-3voqA:
15.07
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.
4ain GLYCINE BETAINE
TRANSPORTER BETP

(Corynebacterium
glutamicum) 		PF02028
(BCCT) 		5 ALA A 242
PHE A 529
ILE A 196
ILE A 199
GLY A 382
 None
 1.07A 3rukB-4ainA:
undetectable		 3rukB-4ainA:
22.31
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.
4f32 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Burkholderia
vietnamiensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 216
PHE A 239
ILE A 117
LEU A 351
GLY A 210
 N32  A 501 ( 4.2A)
N32  A 501 ( 4.3A)
None
CSU  A 172 ( 3.9A)
None
 0.95A 3rukB-4f32A:
undetectable		 3rukB-4f32A:
21.64
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.
4g1k TRIOSEPHOSPHATE
ISOMERASE

(Burkholderia
thailandensis) 		PF00121
(TIM) 		5 ALA A 219
PHE A 223
ILE A  42
ALA A 245
VAL A   9
 None
 1.03A 3rukB-4g1kA:
undetectable		 3rukB-4g1kA:
19.39
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.
4glx DNA LIGASE

(Escherichia
coli) 		PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		5 PHE A 443
ILE A 573
LEU A 576
THR A 507
VAL A 581
 None
None
None
SO4  A 602 ( 3.9A)
None
 1.00A 3rukB-4glxA:
undetectable		 3rukB-4glxA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hqe TRANSCRIPTIONAL
REGULATOR QSRR

(Staphylococcus
aureus) 		PF01638
(HxlR) 		5 ASN A  20
ILE A  23
ILE A  24
LEU A  27
ALA A  60
 None
 0.75A 3rukB-4hqeA:
undetectable		 3rukB-4hqeA:
12.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i8v CYTOCHROME P450 1A1

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 123
ASP A 313
GLY A 316
ALA A 317
THR A 321
 None
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
 0.60A 3rukB-4i8vA:
42.6		 3rukB-4i8vA:
33.85
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.
4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Mycolicibacterium
smegmatis) 		PF02668
(TauD) 		5 ALA A 239
PHE A  45
LEU A   9
THR A 246
VAL A 229
 None
 0.99A 3rukB-4j5iA:
undetectable		 3rukB-4j5iA:
20.53
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.
4jb6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 208
PHE A 230
ILE A 109
LEU A 343
GLY A 202
 None
 0.96A 3rukB-4jb6A:
undetectable		 3rukB-4jb6A:
21.65
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.
4jga 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Rickettsia
rickettsii) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 221
PHE A 244
ILE A 122
LEU A 357
GLY A 215
 None
None
EDO  A 502 (-4.9A)
None
None
 0.87A 3rukB-4jgaA:
undetectable		 3rukB-4jgaA:
21.77
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.
4jhp X-LINKED RETINITIS
PIGMENTOSA GTPASE
REGULATOR

(Homo sapiens) 		PF00415
(RCC1) 		5 ILE C 300
ALA C 262
THR C 259
VAL C 256
VAL C 257
 None
 1.04A 3rukB-4jhpC:
undetectable		 3rukB-4jhpC:
20.91
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.
4jmd PUTATIVE
UNCHARACTERIZED
PROTEIN MPPR

(Streptomyces
hygroscopicus) 		PF06314
(ADC) 		5 ALA A  92
ILE A 248
ASP A  66
GLY A 276
VAL A  62
 None
 0.97A 3rukB-4jmdA:
undetectable		 3rukB-4jmdA:
18.96
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.
4jmf EXOENZYME T
PROBABLE CHAPERONE

(Pseudomonas
aeruginosa) 		PF05932
(CesT)
no annotation 		5 PHE B  50
ILE A  68
ILE A  69
LEU A  72
VAL B  27
 None
 0.93A 3rukB-4jmfB:
undetectable		 3rukB-4jmfB:
12.78
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.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 ALA D 208
PHE D 230
ILE D 109
LEU D 344
GLY D 202
 None
 0.87A 3rukB-4jrmD:
undetectable		 3rukB-4jrmD:
22.35
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.
4kp2 HOMOACONITASE LARGE
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		5 ALA A 184
GLY A 219
ALA A 211
VAL A 175
VAL A 172
 None
 1.03A 3rukB-4kp2A:
undetectable		 3rukB-4kp2A:
24.10
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.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 207
PHE A 228
ILE A 108
LEU A 341
GLY A 201
 None
 1.06A 3rukB-4ls5A:
undetectable		 3rukB-4ls5A:
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.
4m38 PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Trypanosoma
brucei) 		PF06325
(PrmA) 		5 PHE A 358
LEU A 337
ALA A 291
VAL A 348
VAL A 349
 None
 1.08A 3rukB-4m38A:
undetectable		 3rukB-4m38A:
19.53
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.
4m6r METHYLTHIORIBULOSE-1
-PHOSPHATE
DEHYDRATASE

(Homo sapiens) 		PF00596
(Aldolase_II) 		5 ILE A 135
LEU A 159
ALA A 121
THR A 125
VAL A 161
 None
 1.08A 3rukB-4m6rA:
undetectable		 3rukB-4m6rA:
19.58
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.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF05994
(FragX_IP)
PF07159
(DUF1394) 		5 ASN A1215
ILE A1218
ILE A1219
LEU A1222
VAL A1166
 None
 0.62A 3rukB-4n78A:
undetectable		 3rukB-4n78A:
18.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		12 ALA A 113
PHE A 114
ASN A 202
ILE A 205
ILE A 206
LEU A 209
ASP A 298
GLY A 301
ALA A 302
THR A 306
VAL A 482
VAL A 483
 HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.6A)
3QZ  A 601 ( 4.8A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
3QZ  A 601 (-4.1A)
3QZ  A 601 (-4.1A)
 0.38A 3rukB-4nkyA:
62.9		 3rukB-4nkyA:
99.80
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.
4o4o PHYCOCYANOBILIN
LYASE CPCT

(Nostoc sp. PCC
7120) 		PF06206
(CpeT) 		5 PHE A  51
ILE A   7
ILE A 196
GLY A  48
VAL A 194
 None
 1.04A 3rukB-4o4oA:
undetectable		 3rukB-4o4oA:
18.31
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.
4ox8 CARBON
DIOXIDE-CONCENTRATIN
G MECHANISM PROTEIN
CCMK

(Prochlorococcus
marinus) 		PF00936
(BMC) 		5 ILE A  82
ILE A  81
LEU A  10
ALA A  78
VAL A  62
 None
 1.07A 3rukB-4ox8A:
undetectable		 3rukB-4ox8A:
14.71
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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT D

(Vibrio cholerae) 		PF02508
(Rnf-Nqr) 		5 ALA D 118
ILE D 109
ILE D 108
VAL D  51
VAL D  48
 None
 1.06A 3rukB-4p6vD:
undetectable		 3rukB-4p6vD:
19.51
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.
4qav 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Neisseria
meningitidis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 209
PHE A 231
ILE A 110
LEU A 342
GLY A 203
 None
 0.93A 3rukB-4qavA:
undetectable		 3rukB-4qavA:
20.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		8 ALA A 126
ILE A 218
ASP A 309
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
AER  A 601 ( 4.1A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
None
 0.64A 3rukB-4r1zA:
51.1		 3rukB-4r1zA:
46.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		6 ALA A 126
PHE A 127
ASP A 309
ALA A 313
THR A 317
VAL A 494
 HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.1A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
 0.64A 3rukB-4r1zA:
51.1		 3rukB-4r1zA:
46.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		6 ALA A 120
PHE A 121
ASN A 209
GLY A 301
ALA A 302
THR A 306
 AER  A 602 (-3.7A)
None
AER  A 602 (-4.5A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
 0.74A 3rukB-4r20A:
49.6		 3rukB-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		6 ALA A 120
PHE A 121
GLY A 301
ALA A 302
THR A 306
VAL A 481
 AER  A 602 (-3.7A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
None
 0.58A 3rukB-4r20A:
49.6		 3rukB-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		5 ASN A 209
ILE A 212
ALA A 302
THR A 306
VAL A 480
 AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
 0.66A 3rukB-4r20A:
49.6		 3rukB-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		5 ASN A 209
ILE A 212
GLY A 301
ALA A 302
THR A 306
 AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
 0.63A 3rukB-4r20A:
49.6		 3rukB-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		5 ILE A 212
ALA A 302
THR A 306
VAL A 480
VAL A 481
 AER  A 602 (-3.2A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
None
 0.75A 3rukB-4r20A:
49.6		 3rukB-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		5 ILE A 212
GLY A 301
ALA A 302
THR A 306
VAL A 481
 AER  A 602 (-3.2A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
None
 0.51A 3rukB-4r20A:
49.6		 3rukB-4r20A:
43.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uzs BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 ILE A  77
LEU A  80
GLY A  54
ALA A  90
VAL A 153
 POL  A 706 ( 4.1A)
None
None
None
None
 0.88A 3rukB-4uzsA:
undetectable		 3rukB-4uzsA:
19.50
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.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 102
ILE A 341
GLY A 233
ALA A  75
VAL A 236
 None
 0.94A 3rukB-4xoxA:
undetectable		 3rukB-4xoxA:
22.35
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.
5a2f CD166 ANTIGEN

(Homo sapiens) 		PF08205
(C2-set_2) 		5 ILE A  40
ILE A  41
ALA A 103
VAL A  31
VAL A 128
 None
 1.07A 3rukB-5a2fA:
undetectable		 3rukB-5a2fA:
20.84
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		5 PHE A 602
LEU A 510
THR A 540
VAL A 537
VAL A 538
 None
 1.08A 3rukB-5az4A:
undetectable		 3rukB-5az4A:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c3u L-SERINE
AMMONIA-LYASE

(Rhizomucor
miehei) 		PF00291
(PALP) 		5 ASN A 186
ILE A 189
GLY A 182
VAL A 202
VAL A 253
 None
None
PLP  A 401 (-3.4A)
None
None
 1.03A 3rukB-5c3uA:
undetectable		 3rukB-5c3uA:
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.
5cca ENDORIBONUCLEASE
MAZF3

(Mycobacterium
tuberculosis) 		PF02452
(PemK_toxin) 		5 ILE A  68
LEU A  73
ALA A  33
THR A  65
VAL A  30
 None
 0.93A 3rukB-5ccaA:
undetectable		 3rukB-5ccaA:
16.04
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.
5flw EXO-BETA-1,3-GALACTA
NASE

(Bifidobacterium
bifidum) 		PF04616
(Glyco_hydro_43) 		5 PHE A  56
ILE A  23
LEU A  25
VAL A 249
VAL A 248
 None
 1.03A 3rukB-5flwA:
undetectable		 3rukB-5flwA:
19.28
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.
5ftf TPR DOMAIN PROTEIN

(Bacteroides sp.
3_1_23) 		PF05970
(PIF1) 		5 ILE A 118
ILE A 114
LEU A 115
ALA A  53
THR A  55
 None
 0.96A 3rukB-5ftfA:
undetectable		 3rukB-5ftfA:
23.26
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.
5ftf TPR DOMAIN PROTEIN

(Bacteroides sp.
3_1_23) 		PF05970
(PIF1) 		5 ILE A 118
ILE A 114
LEU A 115
THR A  55
VAL A 110
 None
 1.01A 3rukB-5ftfA:
undetectable		 3rukB-5ftfA:
23.26
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.
5gxd AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Dinoroseobacter
shibae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 ALA A 524
ASN A 596
ILE A 597
LEU A 622
GLY A 592
 None
 0.96A 3rukB-5gxdA:
undetectable		 3rukB-5gxdA:
19.84
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.
5h20 PUTATIVE PADR-FAMILY
TRANSCRIPTIONAL
REGULATORY PROTEIN

(Bacteroides
fragilis) 		PF03551
(PadR) 		5 ILE A  33
ILE A  34
LEU A  37
VAL A  44
VAL A  45
 None
 1.00A 3rukB-5h20A:
undetectable		 3rukB-5h20A:
11.84
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.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 353
ILE A 386
ILE A 388
LEU A 404
VAL A 438
 None
 1.06A 3rukB-5keiA:
undetectable		 3rukB-5keiA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mdn DNA POLYMERASE

(Pyrobaculum
calidifontis) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ALA A  54
ILE A  80
ALA A  44
VAL A  69
VAL A  70
 None
 1.06A 3rukB-5mdnA:
undetectable		 3rukB-5mdnA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 ASN A 531
ILE A 532
LEU A 536
ALA A 526
VAL A 555
 None
 0.86A 3rukB-5ux5A:
undetectable		 3rukB-5ux5A:
18.28
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.
5vm1 XYLULOKINASE

(Brucella ovis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE A 407
LEU A 411
ALA A 416
THR A 454
VAL A 413
 None
 0.99A 3rukB-5vm1A:
undetectable		 3rukB-5vm1A:
21.98
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.
5y1i CYTOCHROME P450

(Streptomyces
graminofaciens) 		PF00067
(p450) 		5 ASN A 181
ILE A 185
GLY A 247
ALA A 248
THR A 252
 None
None
None
HEM  A 501 (-3.4A)
HEM  A 501 (-3.9A)
 1.02A 3rukB-5y1iA:
30.7		 3rukB-5y1iA:
24.55
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 8 ALA A 126
PHE A 127
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
AER  A 602 ( 4.7A)
None
 0.61A 3rukB-6b82A:
49.0		 3rukB-6b82A:
9.72
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.
6cfd ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Enterococcus
faecium) 		no annotation 5 ALA A 106
ILE A  44
ILE A  45
LEU A  48
GLY A  74
 None
 0.66A 3rukB-6cfdA:
undetectable		 3rukB-6cfdA:
11.84
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.
6ct0 DIHYDROLIPOYLLYSINE-
RESIDUE
ACETYLTRANSFERASE
COMPONENT OF
PYRUVATE
DEHYDROGENASE
COMPLEX,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 ASN 0 477
ILE 0 480
ILE 0 481
ALA 0 514
VAL 0 511
 None
 0.97A 3rukB-6ct00:
undetectable		 3rukB-6ct00:
8.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3

(Homo sapiens) 		no annotation 5 ALA A 269
LEU A 261
ALA A 253
THR A 251
VAL A 283
 NAP  A 401 ( 4.7A)
None
NAP  A 401 (-3.4A)
None
None
 0.94A 3rukB-6f2uA:
undetectable		 3rukB-6f2uA:
10.79