SIMILAR PATTERNS OF AMINO ACIDS FOR 5L5Z_V_BO2V301

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.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		5 SER A 364
THR A 363
GLN A 362
ALA A 201
THR A 204
 None
 1.34A 5l5zV-1c4kA:
0.0
5l5zW-1c4kA:
0.0		 5l5zV-1c4kA:
17.71
5l5zW-1c4kA:
15.96
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.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		5 THR A 243
GLN A 612
GLY A 252
THR A 291
ASP A 535
 None
 1.20A 5l5zV-1c4kA:
0.0
5l5zW-1c4kA:
0.0		 5l5zV-1c4kA:
17.71
5l5zW-1c4kA:
15.96
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.
1dbi AK.1 SERINE PROTEASE

(Bacillus sp.
Ak1) 		PF00082
(Peptidase_S8) 		5 THR A  74
ALA A  77
GLY A  78
ALA A  82
ASP A   5
 None
None
None
CA  A 701 ( 4.9A)
CA  A 701 (-3.2A)
 1.35A 5l5zV-1dbiA:
undetectable
5l5zW-1dbiA:
undetectable		 5l5zV-1dbiA:
22.45
5l5zW-1dbiA:
19.66
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.
1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT

(Desulfovibrio
desulfuricans) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 CYH A 136
LYS A 131
ALA A 129
GLY A  81
ASP A  96
 None
 1.18A 5l5zV-1e3dA:
0.0
5l5zW-1e3dA:
0.0		 5l5zV-1e3dA:
22.50
5l5zW-1e3dA:
18.66
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.
1e6y METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT

(Methanosarcina
barkeri) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 GLN B2112
ALA B2132
GLY B2131
ALA B2127
THR B2129
 None
 1.37A 5l5zV-1e6yB:
0.7
5l5zW-1e6yB:
0.8		 5l5zV-1e6yB:
21.21
5l5zW-1e6yB:
20.10
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.
1f80 HOLO-(ACYL CARRIER
PROTEIN) SYNTHASE

(Bacillus
subtilis) 		PF01648
(ACPS) 		5 THR A  10
GLN A 113
ALA A  51
GLY A  52
ALA A  56
 None
 1.28A 5l5zV-1f80A:
undetectable
5l5zW-1f80A:
undetectable		 5l5zV-1f80A:
20.26
5l5zW-1f80A:
22.49
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.
1hpg GLUTAMIC ACID
SPECIFIC PROTEASE

(Streptomyces
griseus) 		no annotation 5 THR A 117
GLN A 122
ALA A  44
GLY A  19
ALA A 198
 None
 1.33A 5l5zV-1hpgA:
undetectable
5l5zW-1hpgA:
undetectable		 5l5zV-1hpgA:
21.07
5l5zW-1hpgA:
22.86
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.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 THR H   1
THR H  21
LYS H  33
ALA H  46
GLY H  47
 CIB  H1001 (-1.9A)
CIB  H1001 (-4.5A)
CIB  H1001 (-4.0A)
CIB  H1001 ( 4.7A)
CIB  H1001 (-4.4A)
 0.29A 5l5zV-1j2qH:
29.8
5l5zW-1j2qH:
28.1		 5l5zV-1j2qH:
29.22
5l5zW-1j2qH:
26.76
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.
1m4y ATP-DEPENDENT
PROTEASE HSLV

(Thermotoga
maritima) 		PF00227
(Proteasome) 		5 THR A   1
THR A  21
LYS A  33
ALA A  47
GLY A  48
 None
 0.89A 5l5zV-1m4yA:
21.1
5l5zW-1m4yA:
19.4		 5l5zV-1m4yA:
22.92
5l5zW-1m4yA:
23.88
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.
1mhy METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox) 		5 THR B 258
GLN B 261
ALA B 250
GLY B 251
ALA B 253
 None
 1.09A 5l5zV-1mhyB:
0.0
5l5zW-1mhyB:
0.0		 5l5zV-1mhyB:
20.81
5l5zW-1mhyB:
19.90
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.
1nbw GLYCEROL DEHYDRATASE
REACTIVASE ALPHA
SUBUNIT
GLYCEROL DEHYDRATASE
REACTIVASE BETA
SUBUNIT

(Klebsiella
pneumoniae) 		PF02288
(Dehydratase_MU)
PF08841
(DDR) 		5 SER B 114
ALA B 104
GLY B 105
ALA B 102
ASP A 168
 None
 1.29A 5l5zV-1nbwB:
undetectable
5l5zW-1nbwB:
undetectable		 5l5zV-1nbwB:
21.08
5l5zW-1nbwB:
18.54
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.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 THR A 273
SER A 269
GLN A 267
CYH A 294
ALA A 303
 None
 1.39A 5l5zV-1o99A:
undetectable
5l5zW-1o99A:
undetectable		 5l5zV-1o99A:
21.68
5l5zW-1o99A:
18.92
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.
1ot5 KEXIN

(Saccharomyces
cerevisiae) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 THR A 215
ALA A 218
GLY A 219
ALA A 223
ASP A 135
 None
None
None
CA  A 601 ( 4.9A)
CA  A 601 (-3.3A)
 1.39A 5l5zV-1ot5A:
undetectable
5l5zW-1ot5A:
undetectable		 5l5zV-1ot5A:
18.88
5l5zW-1ot5A:
17.83
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		7 THR H   1
THR H  21
GLN H  22
LYS H  33
ALA H  46
GLY H  47
ALA H  49
 None
 0.60A 5l5zV-1q5qH:
25.8
5l5zW-1q5qH:
24.5		 5l5zV-1q5qH:
26.48
5l5zW-1q5qH:
26.64
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.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 THR H  21
GLN H  22
ALA H  46
GLY H  47
ALA H  49
 None
 0.40A 5l5zV-1q5rH:
23.8
5l5zW-1q5rH:
23.3		 5l5zV-1q5rH:
26.88
5l5zW-1q5rH:
23.33
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.
1ukr ENDO-1,4-B-XYLANASE
I

(Aspergillus
niger) 		PF00457
(Glyco_hydro_11) 		5 SER A  65
ALA A 175
GLY A 176
ALA A  60
ASP A  85
 None
 1.21A 5l5zV-1ukrA:
undetectable
5l5zW-1ukrA:
undetectable		 5l5zV-1ukrA:
19.33
5l5zW-1ukrA:
20.72
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.
1v8d HYPOTHETICAL PROTEIN
(TT1679)

(Thermus
thermophilus) 		PF04260
(DUF436) 		5 THR A  72
ALA A 145
GLY A 144
ALA A 147
THR A 148
 None
 1.25A 5l5zV-1v8dA:
undetectable
5l5zW-1v8dA:
undetectable		 5l5zV-1v8dA:
21.35
5l5zW-1v8dA:
23.65
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.
1xp8 RECA PROTEIN

(Deinococcus
radiodurans) 		PF00154
(RecA) 		5 THR A  86
ALA A  93
GLY A 120
ALA A 116
ASP A 112
 AGS  A 400 (-3.9A)
None
None
None
AGS  A 400 (-3.6A)
 1.38A 5l5zV-1xp8A:
undetectable
5l5zW-1xp8A:
undetectable		 5l5zV-1xp8A:
19.63
5l5zW-1xp8A:
22.55
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 5 THR H 301
LYS H 333
ALA H 346
GLY H 347
ALA H 352
 None
 1.10A 5l5zV-2fhgH:
25.1
5l5zW-2fhgH:
24.0		 5l5zV-2fhgH:
26.85
5l5zW-2fhgH:
23.05
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 8 THR H 301
SER H 320
THR H 321
GLN H 322
LYS H 333
ALA H 346
GLY H 347
ALA H 349
 None
 0.71A 5l5zV-2fhgH:
25.1
5l5zW-2fhgH:
24.0		 5l5zV-2fhgH:
26.85
5l5zW-2fhgH:
23.05
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.
2gre DEBLOCKING
AMINOPEPTIDASE

(Bacillus cereus) 		PF05343
(Peptidase_M42) 		5 THR A 334
SER A 190
GLY A 316
THR A 326
ASP A 186
 None
 1.33A 5l5zV-2greA:
undetectable
5l5zW-2greA:
undetectable		 5l5zV-2greA:
20.22
5l5zW-2greA:
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.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Gallus gallus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 SER A  55
THR A  57
ALA A 212
GLY A  30
ALA A  26
 FAD  A1001 (-2.7A)
FAD  A1001 (-3.2A)
None
None
FAD  A1001 (-3.8A)
 1.32A 5l5zV-2h88A:
undetectable
5l5zW-2h88A:
undetectable		 5l5zV-2h88A:
17.42
5l5zW-2h88A:
17.02
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.
2i5i UPF0249 PROTEIN
EF_3048

(Enterococcus
faecalis) 		PF04794
(YdjC) 		5 THR A  35
CYH A 212
ALA A 215
GLY A  22
ALA A  26
 None
 1.09A 5l5zV-2i5iA:
undetectable
5l5zW-2i5iA:
undetectable		 5l5zV-2i5iA:
23.81
5l5zW-2i5iA:
24.45
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.
2o14 HYPOTHETICAL PROTEIN
YXIM

(Bacillus
subtilis) 		PF13472
(Lipase_GDSL_2) 		5 SER A 148
THR A  94
ALA A  60
GLY A  59
ALA A  57
 None
 1.05A 5l5zV-2o14A:
undetectable
5l5zW-2o14A:
undetectable		 5l5zV-2o14A:
22.16
5l5zW-2o14A:
19.10
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.
2rkv TRICHOTHECENE
3-O-ACETYLTRANSFERAS
E

(Fusarium
graminearum) 		PF02458
(Transferase) 		5 GLN A 211
ALA A 218
GLY A 219
ALA A 369
CYH A 290
 None
 1.27A 5l5zV-2rkvA:
undetectable
5l5zW-2rkvA:
undetectable		 5l5zV-2rkvA:
20.31
5l5zW-2rkvA:
17.66
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.
2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE

(Schistosoma
mansoni) 		PF00462
(Glutaredoxin)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 THR A 475
ALA A 481
GLY A 480
ALA A 544
THR A 548
 None
 1.37A 5l5zV-2v6oA:
undetectable
5l5zW-2v6oA:
undetectable		 5l5zV-2v6oA:
19.26
5l5zW-2v6oA:
18.12
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.
2wda PUTATIVE SECRETED
LYASE

(Streptomyces
violaceoruber) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 THR A 703
CYH A 760
ALA A 728
GLY A 727
THR A 741
 None
 0.90A 5l5zV-2wdaA:
undetectable
5l5zW-2wdaA:
undetectable		 5l5zV-2wdaA:
16.06
5l5zW-2wdaA:
13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wsc PHOTOSYSTEM I
REACTION CENTER
SUBUNIT XI,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF02605
(PsaL) 		5 THR L 152
ALA L  80
GLY L  81
ALA L  83
THR L  77
 None
 1.38A 5l5zV-2wscL:
undetectable
5l5zW-2wscL:
undetectable		 5l5zV-2wscL:
22.92
5l5zW-2wscL:
25.00
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.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 SER A  44
THR A  46
ALA A 201
GLY A  19
ALA A  15
 FAD  A 601 (-2.6A)
FAD  A 601 (-3.2A)
None
None
FAD  A 601 (-4.1A)
 1.32A 5l5zV-2wu5A:
undetectable
5l5zW-2wu5A:
undetectable		 5l5zV-2wu5A:
19.15
5l5zW-2wu5A:
17.35
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.
2x50 TRYPANOTHIONE
REDUCTASE

(Leishmania
infantum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 SER A  14
ALA A 343
GLY A 342
ALA A 338
ASP A 327
 FAD  A1487 (-3.5A)
None
None
FAD  A1487 ( 3.8A)
FAD  A1487 (-2.6A)
 1.24A 5l5zV-2x50A:
undetectable
5l5zW-2x50A:
undetectable		 5l5zV-2x50A:
18.27
5l5zW-2x50A:
17.05
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.
2xhs NUCLEAR HORMONE
RECEPTOR FTZ-F1

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		5 GLN A1014
ALA A1008
GLY A1009
ALA A1011
CYH A 834
 None
 1.34A 5l5zV-2xhsA:
undetectable
5l5zW-2xhsA:
undetectable		 5l5zV-2xhsA:
22.55
5l5zW-2xhsA:
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.
2zu0 PROTEIN SUFD

(Escherichia
coli) 		PF01458
(UPF0051) 		5 THR A 138
ALA A 201
ALA A 134
THR A 130
ASP A 112
 None
 1.36A 5l5zV-2zu0A:
undetectable
5l5zW-2zu0A:
undetectable		 5l5zV-2zu0A:
20.14
5l5zW-2zu0A:
23.12
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.
3bxh CENTRAL GLYCOLYTIC
GENE REGULATOR

(Bacillus
subtilis) 		PF04198
(Sugar-bind) 		5 SER A 309
GLN A 119
ALA A 305
GLY A 306
THR A 152
 None
None
None
None
F6P  A 401 (-3.5A)
 1.29A 5l5zV-3bxhA:
undetectable
5l5zW-3bxhA:
undetectable		 5l5zV-3bxhA:
21.09
5l5zW-3bxhA:
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.
3cmt PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A  74
ALA A  81
GLY A 108
ALA A 104
ASP A 100
 ADP  A 502 (-4.0A)
None
None
None
ADP  A 502 (-4.4A)
 1.37A 5l5zV-3cmtA:
undetectable
5l5zW-3cmtA:
undetectable		 5l5zV-3cmtA:
9.61
5l5zW-3cmtA:
8.27
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.
3cmt PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A1074
ALA A1081
GLY A1108
ALA A1104
ASP A1100
 ADP  A1502 (-3.9A)
None
None
None
ADP  A1502 ( 4.7A)
 1.38A 5l5zV-3cmtA:
undetectable
5l5zW-3cmtA:
undetectable		 5l5zV-3cmtA:
9.61
5l5zW-3cmtA:
8.27
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.
3cmt PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A2074
ALA A2081
GLY A2108
ALA A2104
ASP A2100
 ADP  A2502 (-3.8A)
None
None
None
ADP  A2502 (-4.6A)
 1.38A 5l5zV-3cmtA:
undetectable
5l5zW-3cmtA:
undetectable		 5l5zV-3cmtA:
9.61
5l5zW-3cmtA:
8.27
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.
3cmt PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A3074
ALA A3081
GLY A3108
ALA A3104
ASP A3100
 ADP  A3502 (-3.7A)
None
None
None
ADP  A3502 ( 4.8A)
 1.37A 5l5zV-3cmtA:
undetectable
5l5zW-3cmtA:
undetectable		 5l5zV-3cmtA:
9.61
5l5zW-3cmtA:
8.27
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.
3cmt PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A4074
ALA A4081
GLY A4108
ALA A4104
ASP A4100
 ADP  A4502 (-3.8A)
None
None
None
ADP  A4502 ( 4.9A)
 1.38A 5l5zV-3cmtA:
undetectable
5l5zW-3cmtA:
undetectable		 5l5zV-3cmtA:
9.61
5l5zW-3cmtA:
8.27
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A  74
ALA A  81
GLY A 108
ALA A 104
ASP A 100
 ADP  A 502 (-3.9A)
None
None
None
ADP  A 502 (-4.2A)
 1.38A 5l5zV-3cmuA:
undetectable
5l5zW-3cmuA:
undetectable		 5l5zV-3cmuA:
8.35
5l5zW-3cmuA:
7.21
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A1074
ALA A1081
GLY A1108
ALA A1104
ASP A1100
 ADP  A1502 (-3.5A)
None
None
None
ADP  A1502 (-4.0A)
 1.37A 5l5zV-3cmuA:
undetectable
5l5zW-3cmuA:
undetectable		 5l5zV-3cmuA:
8.35
5l5zW-3cmuA:
7.21
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A2074
ALA A2081
GLY A2108
ALA A2104
ASP A2100
 ADP  A2502 (-3.9A)
None
None
None
ADP  A2502 (-4.2A)
 1.37A 5l5zV-3cmuA:
undetectable
5l5zW-3cmuA:
undetectable		 5l5zV-3cmuA:
8.35
5l5zW-3cmuA:
7.21
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A3074
ALA A3081
GLY A3108
ALA A3104
ASP A3100
 ADP  A3502 (-3.7A)
None
None
None
ADP  A3502 (-4.4A)
 1.37A 5l5zV-3cmuA:
undetectable
5l5zW-3cmuA:
undetectable		 5l5zV-3cmuA:
8.35
5l5zW-3cmuA:
7.21
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A4074
ALA A4081
GLY A4108
ALA A4104
ASP A4100
 ADP  A4502 (-3.8A)
None
None
None
ADP  A4502 (-4.2A)
 1.38A 5l5zV-3cmuA:
undetectable
5l5zW-3cmuA:
undetectable		 5l5zV-3cmuA:
8.35
5l5zW-3cmuA:
7.21
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A5074
ALA A5081
GLY A5108
ALA A5104
ASP A5100
 ADP  A5502 (-3.9A)
None
None
None
ADP  A5502 (-3.8A)
 1.37A 5l5zV-3cmuA:
undetectable
5l5zW-3cmuA:
undetectable		 5l5zV-3cmuA:
8.35
5l5zW-3cmuA:
7.21
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.
3en0 CYANOPHYCINASE

(Synechocystis
sp. PCC 6803) 		PF03575
(Peptidase_S51) 		5 THR A  92
SER A 127
GLN A   6
ALA A  37
GLY A  33
 None
 1.16A 5l5zV-3en0A:
undetectable
5l5zW-3en0A:
undetectable		 5l5zV-3en0A:
24.59
5l5zW-3en0A:
21.62
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.
3h6e CARBOHYDRATE KINASE,
FGGY

(Novosphingobium
aromaticivorans) 		PF00370
(FGGY_N) 		5 SER A 168
ALA A 227
GLY A 228
ALA A 151
ASP A 231
 None
 1.20A 5l5zV-3h6eA:
undetectable
5l5zW-3h6eA:
undetectable		 5l5zV-3h6eA:
20.84
5l5zW-3h6eA:
18.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jtl PROTEASOME SUBUNIT
BETA

(Thermoplasma
acidophilum) 		PF00227
(Proteasome) 		5 THR H   1
THR H  21
LYS H  33
ALA H  46
GLY H  47
 None
 0.28A 5l5zV-3jtlH:
28.9
5l5zW-3jtlH:
27.6		 5l5zV-3jtlH:
31.47
5l5zW-3jtlH:
25.81
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 THR A  67
ALA A 149
GLY A  64
ALA A  85
THR A 152
 None
 1.13A 5l5zV-3jv7A:
undetectable
5l5zW-3jv7A:
undetectable		 5l5zV-3jv7A:
22.74
5l5zW-3jv7A:
19.77
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.
3k9d ALDEHYDE
DEHYDROGENASE

(Listeria
monocytogenes) 		PF00171
(Aldedh) 		5 THR A 401
SER A 242
GLY A 407
ALA A 252
THR A 374
 None
 1.37A 5l5zV-3k9dA:
undetectable
5l5zW-3k9dA:
undetectable		 5l5zV-3k9dA:
21.44
5l5zW-3k9dA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kvo HYDROXYSTEROID
DEHYDROGENASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00106
(adh_short) 		5 THR A 203
ALA A  18
GLY A  23
ALA A  25
ASP A 222
 NAP  A 501 (-2.7A)
None
None
None
None
 1.33A 5l5zV-3kvoA:
undetectable
5l5zW-3kvoA:
undetectable		 5l5zV-3kvoA:
20.73
5l5zW-3kvoA:
19.77
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.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		5 SER A 278
ALA A 250
GLY A 251
ALA A  82
THR A  84
 None
EPE  A 305 ( 4.1A)
None
None
None
 1.18A 5l5zV-3lezA:
undetectable
5l5zW-3lezA:
undetectable		 5l5zV-3lezA:
24.65
5l5zW-3lezA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 6 THR N   1
THR N  21
LYS N  33
GLY N  47
ALA N  49
THR N  52
 None
 0.65A 5l5zV-3mg6N:
29.4
5l5zW-3mg6N:
27.6		 5l5zV-3mg6N:
29.49
5l5zW-3mg6N:
23.00
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.
3myb ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		5 ALA A  64
GLY A  65
ALA A 111
THR A 110
CYH A 142
 None
None
GOL  A 300 (-3.6A)
GOL  A 300 ( 4.7A)
None
 1.33A 5l5zV-3mybA:
undetectable
5l5zW-3mybA:
undetectable		 5l5zV-3mybA:
23.84
5l5zW-3mybA:
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.
3no8 BTB/POZ
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF08005
(PHR) 		5 SER A 390
THR A 389
CYH A 468
ALA A 505
GLY A 506
 None
 1.38A 5l5zV-3no8A:
undetectable
5l5zW-3no8A:
undetectable		 5l5zV-3no8A:
17.41
5l5zW-3no8A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		5 THR A 281
THR A  65
GLN A  64
GLY A 289
THR A 236
 None
 1.30A 5l5zV-3rm5A:
undetectable
5l5zW-3rm5A:
undetectable		 5l5zV-3rm5A:
18.76
5l5zW-3rm5A:
17.17
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.
3u0a ACYL-COA
THIOESTERASE II
TESB2

(Mycobacterium
marinum) 		PF13622
(4HBT_3) 		5 THR A 270
ALA A 247
GLY A 268
THR A 249
ASP A 194
 None
 1.36A 5l5zV-3u0aA:
undetectable
5l5zW-3u0aA:
undetectable		 5l5zV-3u0aA:
19.38
5l5zW-3u0aA:
25.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		8 THR H   1
THR H  21
CYH H  31
LYS H  33
ALA H  46
GLY H  47
ALA H  49
THR H  52
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
04C  H 301 ( 3.7A)
04C  H 301 (-3.5A)
04C  H 301 ( 4.3A)
04C  H 301 (-3.7A)
04C  H 301 (-3.6A)
04C  H 301 (-3.8A)
 0.70A 5l5zV-3unfH:
35.8
5l5zW-3unfH:
28.8		 5l5zV-3unfH:
46.78
5l5zW-3unfH:
23.83
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.
3vgl GLUCOKINASE

(Streptomyces
griseus) 		PF00480
(ROK) 		5 GLN A 120
CYH A 127
ALA A 108
GLY A 305
ALA A 301
 None
 1.09A 5l5zV-3vglA:
undetectable
5l5zW-3vglA:
undetectable		 5l5zV-3vglA:
24.15
5l5zW-3vglA:
20.44
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.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II

(Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 SER A  78
THR A  80
ALA A 235
GLY A  53
ALA A  49
 FAD  A 702 (-2.9A)
FAD  A 702 (-3.4A)
None
None
FAD  A 702 (-3.9A)
 1.37A 5l5zV-3vrbA:
undetectable
5l5zW-3vrbA:
undetectable		 5l5zV-3vrbA:
17.77
5l5zW-3vrbA:
16.78
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.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR L   1
LYS L  33
ALA L  46
GLY L  47
ALA L  49
 None
 0.42A 5l5zV-3wxrL:
29.0
5l5zW-3wxrL:
25.5		 5l5zV-3wxrL:
29.29
5l5zW-3wxrL:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zdp NUCLEOCAPSID PROTEIN

(Influenza A
virus) 		PF00506
(Flu_NP) 		5 THR A 134
CYH A 275
ALA A 179
GLY A 180
ASP A 145
 None
 1.04A 5l5zV-3zdpA:
undetectable
5l5zW-3zdpA:
undetectable		 5l5zV-3zdpA:
19.09
5l5zW-3zdpA:
17.52
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.
4c3h DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA190

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 THR A1561
SER A1543
THR A1542
ALA A1558
ALA A1548
 None
 1.11A 5l5zV-4c3hA:
undetectable
5l5zW-4c3hA:
undetectable		 5l5zV-4c3hA:
9.80
5l5zW-4c3hA:
8.62
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.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		5 THR A   1
THR A  21
LYS A  33
ALA A  47
GLY A  48
 None
 0.73A 5l5zV-4g4eA:
22.0
5l5zW-4g4eA:
20.1		 5l5zV-4g4eA:
26.89
5l5zW-4g4eA:
22.33
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.
4het HYPOTHETICAL
GLYCOSIDE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13201
(PCMD) 		5 SER A  93
GLN A  64
ALA A  83
GLY A  84
ASP A  60
 None
 1.18A 5l5zV-4hetA:
undetectable
5l5zW-4hetA:
undetectable		 5l5zV-4hetA:
20.65
5l5zW-4hetA:
20.11
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.
4hkm ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Xanthomonas
campestris) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 GLN A 320
ALA A 108
GLY A 107
ALA A 105
ASP A 324
 None
 1.09A 5l5zV-4hkmA:
undetectable
5l5zW-4hkmA:
undetectable		 5l5zV-4hkmA:
21.22
5l5zW-4hkmA:
23.33
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.
4ho7 HSLVU COMPLEX
PROTEOLYTIC SUBUNIT,
PUTATIVE

(Trypanosoma
brucei) 		PF00227
(Proteasome) 		5 THR A   1
THR A  21
LYS A  34
ALA A  47
GLY A  48
 None
 0.68A 5l5zV-4ho7A:
21.3
5l5zW-4ho7A:
20.4		 5l5zV-4ho7A:
23.27
5l5zW-4ho7A:
22.90
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.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 THR A 120
GLN A 267
ALA A 142
GLY A 125
THR A 129
 None
 1.35A 5l5zV-4iv9A:
undetectable
5l5zW-4iv9A:
undetectable		 5l5zV-4iv9A:
18.85
5l5zW-4iv9A:
18.55
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.
4j57 THIOREDOXIN
REDUCTASE 2

(Plasmodium
falciparum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 THR A 399
ALA A 405
GLY A 404
ALA A 482
THR A 486
 None
 1.33A 5l5zV-4j57A:
undetectable
5l5zW-4j57A:
undetectable		 5l5zV-4j57A:
18.06
5l5zW-4j57A:
18.24
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.
4kzp OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF00106
(adh_short) 		5 THR A 212
ALA A  30
GLY A  35
ALA A  37
ASP A 236
 None
 1.35A 5l5zV-4kzpA:
undetectable
5l5zW-4kzpA:
undetectable		 5l5zV-4kzpA:
23.53
5l5zW-4kzpA:
20.38
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.
4ler PUTATIVE OUTER
MEMBRANE PROTEIN,
PROBABLY INVOLVED IN
NUTRIENT BINDING

(Bacteroides
vulgatus) 		PF12771
(SusD-like_2) 		5 SER A 321
THR A 281
GLN A 282
ALA A 315
GLY A 318
 None
 1.18A 5l5zV-4lerA:
undetectable
5l5zW-4lerA:
undetectable		 5l5zV-4lerA:
21.59
5l5zW-4lerA:
18.51
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.
4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE

(Mycolicibacterium
smegmatis) 		PF04127
(DFP) 		5 THR A 239
SER A 213
ALA A 236
GLY A 237
ALA A 277
 None
None
None
None
CTP  A 500 (-4.8A)
 1.29A 5l5zV-4qjiA:
undetectable
5l5zW-4qjiA:
undetectable		 5l5zV-4qjiA:
23.60
5l5zW-4qjiA:
21.37
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.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR K   1
THR K  21
LYS K  33
ALA K  46
GLY K  47
ALA K  49
 None
 0.51A 5l5zV-4qv9K:
29.3
5l5zW-4qv9K:
25.7		 5l5zV-4qv9K:
29.29
5l5zW-4qv9K:
27.19
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.
4rjw PORIN O

(Pseudomonas
aeruginosa) 		PF07396
(Porin_O_P) 		5 THR A  47
ALA A  55
GLY A 228
ALA A 230
THR A 231
 None
 1.17A 5l5zV-4rjwA:
undetectable
5l5zW-4rjwA:
undetectable		 5l5zV-4rjwA:
21.55
5l5zW-4rjwA:
19.32
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.
4rlt (3R)-HYDROXYACYL-ACP
DEHYDRATASE SUBUNIT
HADA
(3R)-HYDROXYACYL-ACP
DEHYDRATASE SUBUNIT
HADB

(Mycobacterium
tuberculosis) 		PF01575
(MaoC_dehydratas)
PF13452
(MaoC_dehydrat_N) 		5 THR A  58
GLN A  33
GLY B  67
THR B  71
ASP A  35
 FSE  A 201 ( 4.8A)
None
None
None
None
 1.34A 5l5zV-4rltA:
undetectable
5l5zW-4rltA:
undetectable		 5l5zV-4rltA:
21.27
5l5zW-4rltA:
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.
4u66 PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRA

(Alkaliphilus
oremlandii) 		PF01625
(PMSR) 		5 THR A  33
LYS A 139
ALA A 169
GLY A  25
ALA A  22
 None
 1.33A 5l5zV-4u66A:
undetectable
5l5zW-4u66A:
undetectable		 5l5zV-4u66A:
21.54
5l5zW-4u66A:
18.78
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.
4wgk NEUTRAL CERAMIDASE

(Homo sapiens) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		5 SER A 164
GLN A 204
ALA A 200
GLY A 201
THR A 219
 None
 1.00A 5l5zV-4wgkA:
undetectable
5l5zW-4wgkA:
undetectable		 5l5zV-4wgkA:
16.18
5l5zW-4wgkA:
15.73
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 ALA A 369
GLY A 370
THR A  20
ASP A  99
CYH A  95
 None
ADP  A 501 (-3.3A)
None
None
None
 1.27A 5l5zV-5dmhA:
undetectable
5l5zW-5dmhA:
undetectable		 5l5zV-5dmhA:
22.04
5l5zW-5dmhA:
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 GLN A 335
ALA A 270
GLY A 271
ALA A 273
THR A 277
 ADP  A 501 ( 4.9A)
None
ADP  A 501 (-3.6A)
ADP  A 501 ( 4.5A)
None
 1.23A 5l5zV-5dmhA:
undetectable
5l5zW-5dmhA:
undetectable		 5l5zV-5dmhA:
22.04
5l5zW-5dmhA:
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 THR A 277
ALA A 369
GLY A 370
ASP A  99
CYH A  95
 None
None
ADP  A 501 (-3.3A)
None
None
 1.30A 5l5zV-5dmhA:
undetectable
5l5zW-5dmhA:
undetectable		 5l5zV-5dmhA:
22.04
5l5zW-5dmhA:
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 THR A 277
LYS A 412
ALA A 270
GLY A 271
THR A 373
 None
None
None
ADP  A 501 (-3.6A)
ADP  A 501 (-3.8A)
 1.19A 5l5zV-5dmhA:
undetectable
5l5zW-5dmhA:
undetectable		 5l5zV-5dmhA:
22.04
5l5zW-5dmhA:
18.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		9 THR H   1
SER H  20
THR H  21
GLN H  22
CYH H  31
LYS H  33
ALA H  46
ALA H  49
THR H  52
 None
 0.75A 5l5zV-5fg9H:
37.2
5l5zW-5fg9H:
26.2		 5l5zV-5fg9H:
98.31
5l5zW-5fg9H:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		9 THR H   1
THR H  21
GLN H  22
CYH H  31
LYS H  33
ALA H  46
GLY H  47
ALA H  49
THR H  52
 None
 0.68A 5l5zV-5fg9H:
37.2
5l5zW-5fg9H:
26.2		 5l5zV-5fg9H:
98.31
5l5zW-5fg9H:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 LYS I  33
ALA I  46
GLY I  47
ALA I  49
ASP J 138
 7F1  I 300 (-4.7A)
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
7F1  I 300 (-2.6A)
 1.09A 5l5zV-5fmgI:
30.2
5l5zW-5fmgI:
26.7		 5l5zV-5fmgI:
48.94
5l5zW-5fmgI:
21.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		6 THR I   1
THR I  21
ALA I  46
GLY I  47
ALA I  49
ASP J 138
 7F1  I 300 (-2.7A)
None
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
7F1  I 300 (-2.6A)
 0.92A 5l5zV-5fmgI:
30.2
5l5zW-5fmgI:
26.7		 5l5zV-5fmgI:
48.94
5l5zW-5fmgI:
21.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		6 THR I   1
THR I  21
CYH I  31
ALA I  46
GLY I  47
ALA I  49
 7F1  I 300 (-2.7A)
None
7F1  I 300 ( 3.8A)
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
 0.79A 5l5zV-5fmgI:
30.2
5l5zW-5fmgI:
26.7		 5l5zV-5fmgI:
48.94
5l5zW-5fmgI:
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.
5k1c WD REPEAT-CONTAINING
PROTEIN 20

(Homo sapiens) 		PF00400
(WD40) 		5 THR C 217
CYH C 237
ALA C 222
ALA C 168
THR C 153
 None
 1.19A 5l5zV-5k1cC:
undetectable
5l5zW-5k1cC:
undetectable		 5l5zV-5k1cC:
16.70
5l5zW-5k1cC:
17.61
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.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
LYS K  33
ALA K  46
GLY K  47
ALA K  49
 None
 0.39A 5l5zV-5l5wK:
29.3
5l5zW-5l5wK:
25.5		 5l5zV-5l5wK:
29.61
5l5zW-5l5wK:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lir SIGMA CROSS-REACTING
PROTEIN 27A
(SCRP-27A)

(Salmonella
enterica) 		PF01965
(DJ-1_PfpI) 		5 THR A 192
GLN A 199
GLY A 207
ALA A 204
ASP A 200
 None
 1.35A 5l5zV-5lirA:
undetectable
5l5zW-5lirA:
undetectable		 5l5zV-5lirA:
20.99
5l5zW-5lirA:
24.70
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.
5loy DESIGNED ANBU
PROTEIN

(synthetic
construct) 		PF00227
(Proteasome) 		5 THR A   1
LYS A  32
ALA A  49
GLY A  50
THR A  55
 None
 0.84A 5l5zV-5loyA:
6.2
5l5zW-5loyA:
21.0		 5l5zV-5loyA:
23.14
5l5zW-5loyA:
29.10
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.
5nyj ANBU

(Hyphomicrobium
sp. MC1) 		PF00227
(Proteasome) 		5 THR A   1
LYS A  32
ALA A  49
GLY A  50
THR A  55
 None
 0.74A 5l5zV-5nyjA:
6.2
5l5zW-5nyjA:
21.1		 5l5zV-5nyjA:
26.89
5l5zW-5nyjA:
24.51
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.
5oe5 ANTHRANILATE--COA
LIGASE

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		5 CYH A 332
ALA A 312
GLY A 300
THR A 323
ASP A 382
 None
None
3UK  A 900 (-3.8A)
3UK  A 900 ( 4.5A)
3UK  A 900 (-2.0A)
 1.38A 5l5zV-5oe5A:
undetectable
5l5zW-5oe5A:
undetectable		 5l5zV-5oe5A:
19.51
5l5zW-5oe5A:
19.00
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.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		5 THR R   1
LYS R  33
ALA R  46
GLY R  47
ALA R  49
 None
 0.82A 5l5zV-5t0gR:
27.2
5l5zW-5t0gR:
24.3		 5l5zV-5t0gR:
28.33
5l5zW-5t0gR:
23.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0h PROTEASOME SUBUNIT
BETA TYPE-7

(Homo sapiens) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		7 THR O   1
CYH O  31
LYS O  33
ALA O  46
GLY O  47
ALA O  49
THR O  52
 None
 0.99A 5l5zV-5t0hO:
28.8
5l5zW-5t0hO:
26.3		 5l5zV-5t0hO:
56.17
5l5zW-5t0hO:
20.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0h PROTEASOME SUBUNIT
BETA TYPE-7

(Homo sapiens) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 THR O  55
GLN O  57
ALA O  46
GLY O  45
ALA O  49
 None
 1.14A 5l5zV-5t0hO:
28.8
5l5zW-5t0hO:
26.3		 5l5zV-5t0hO:
56.17
5l5zW-5t0hO:
20.94
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.
5uwy THIOREDOXIN
REDUCTASE

(Streptococcus
pyogenes) 		PF07992
(Pyr_redox_2) 		5 ALA A 290
GLY A 287
ALA A  12
THR A  15
ASP A 273
 None
PO4  A 402 (-3.6A)
FAD  A 401 (-3.5A)
None
FAD  A 401 (-2.7A)
 1.34A 5l5zV-5uwyA:
undetectable
5l5zW-5uwyA:
undetectable		 5l5zV-5uwyA:
24.17
5l5zW-5uwyA:
22.76
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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 5 THR R   1
THR R  21
LYS R  33
GLY R  47
ALA R  49
 None
 0.66A 5l5zV-5vfrR:
27.8
5l5zW-5vfrR:
25.2		 5l5zV-5vfrR:
undetectable
5l5zW-5vfrR:
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.
5z2g L-AMINO ACID OXIDASE

(Naja atra) 		no annotation 5 THR A 475
THR A 485
CYH A 310
ALA A 462
ALA A 492
 None
FAD  A 604 (-3.5A)
None
None
None
 1.28A 5l5zV-5z2gA:
undetectable
5l5zW-5z2gA:
undetectable		 5l5zV-5z2gA:
15.09
5l5zW-5z2gA:
19.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 7 THR B   1
THR B  21
CYH B  31
LYS B  33
ALA B  46
GLY B  47
ALA B  49
 None
 0.91A 5l5zV-6avoB:
22.0
5l5zW-6avoB:
20.3		 5l5zV-6avoB:
43.40
5l5zW-6avoB:
19.10
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.
6c8v COENZYME PQQ
SYNTHESIS PROTEIN E

(Methylobacterium
extorquens) 		no annotation 5 THR A 193
CYH A 323
ALA A 270
THR A 273
CYH A 268
 None
FES  A 501 (-2.7A)
FES  A 501 ( 4.5A)
None
FES  A 501 (-2.6A)
 1.29A 5l5zV-6c8vA:
undetectable
5l5zW-6c8vA:
undetectable		 5l5zV-6c8vA:
13.79
5l5zW-6c8vA:
14.63
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.
6fnu METHYLENETETRAHYDROF
OLATE REDUCTASE 1

(Saccharomyces
cerevisiae) 		no annotation 5 THR A  80
THR A  84
GLY A  51
ALA A  57
THR A  60
 FAD  A 701 ( 4.3A)
None
FAD  A 701 ( 4.9A)
None
None
 1.15A 5l5zV-6fnuA:
undetectable
5l5zW-6fnuA:
undetectable		 5l5zV-6fnuA:
18.10
5l5zW-6fnuA:
18.42