SIMILAR PATTERNS OF AMINO ACIDS FOR 3P2K_D_SAMD6735

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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		5 GLY A 325
GLY A 323
ALA A 231
LEU A 259
LEU A 233
 None
 1.03A 3p2kD-1c7tA:
undetectable		 3p2kD-1c7tA:
14.02
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.
1ebl BETA-KETOACYL-ACP
SYNTHASE III

(Escherichia
coli) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 307
GLY A 183
ALA A 110
ALA A 111
LEU A 188
 None
 1.07A 3p2kD-1eblA:
undetectable		 3p2kD-1eblA:
21.60
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.
1epx FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE

(Leishmania
mexicana) 		PF00274
(Glycolytic) 		5 GLY A 191
PRO A 194
VAL A 193
ALA A 184
LEU A  17
 None
 0.93A 3p2kD-1epxA:
undetectable		 3p2kD-1epxA:
21.58
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.
1f20 NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		5 GLY A1250
GLY A1282
VAL A1247
ALA A1254
SER A1313
 NAP  A1502 (-3.5A)
None
None
FAD  A1501 ( 3.7A)
NAP  A1502 (-2.6A)
 1.00A 3p2kD-1f20A:
2.5		 3p2kD-1f20A:
17.69
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.
1f2j FRUCTOSE-BISPHOSPHAT
E ALDOLASE,
GLYCOSOMAL

(Trypanosoma
brucei) 		PF00274
(Glycolytic) 		5 GLY A 191
PRO A 194
VAL A 193
ALA A 184
LEU A  17
 None
 0.97A 3p2kD-1f2jA:
undetectable		 3p2kD-1f2jA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 GLY A 172
GLY A 426
ALA A 169
LEU A 538
SER A 619
 None
None
MGD  A5001 ( 4.6A)
None
None
 1.06A 3p2kD-1g8kA:
2.3		 3p2kD-1g8kA:
14.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		6 GLY A  32
GLY A 103
ALA A 293
ALA A 292
LEU A 237
SER A  61
 FAD  A 600 ( 4.6A)
FAD  A 600 (-4.5A)
FAD  A 600 (-3.6A)
None
None
None
 1.48A 3p2kD-1gpeA:
3.8		 3p2kD-1gpeA:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		6 GLY A  32
GLY A 105
ALA A 293
ALA A  30
LEU A 237
TRP A 236
 FAD  A 600 ( 4.6A)
None
FAD  A 600 (-3.6A)
FAD  A 600 ( 4.8A)
None
None
 1.35A 3p2kD-1gpeA:
3.8		 3p2kD-1gpeA:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j0n XANTHAN LYASE

(Bacillus sp.
GL1) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		6 GLY A  42
VAL A 110
ALA A 107
ALA A 104
LEU A  39
LEU A 164
 None
 1.13A 3p2kD-1j0nA:
undetectable		 3p2kD-1j0nA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j0n XANTHAN LYASE

(Bacillus sp.
GL1) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		6 GLY A  43
VAL A 110
ALA A 107
ALA A 104
LEU A  39
LEU A 164
 None
 1.45A 3p2kD-1j0nA:
undetectable		 3p2kD-1j0nA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE

(Methanosarcina
barkeri) 		PF05369
(MtmB) 		5 GLY A 203
VAL A 160
ALA A 180
ALA A 216
SER A 365
 XPL  A 202 ( 2.4A)
None
None
None
XPL  A 202 ( 2.7A)
 0.87A 3p2kD-1l2qA:
undetectable		 3p2kD-1l2qA:
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.
1no7 MAJOR CAPSID PROTEIN

(Human
alphaherpesvirus
1) 		PF03122
(Herpes_MCP) 		5 GLY A 931
ALA A 498
LEU A 958
TYR A 956
SER A1000
 None
 1.04A 3p2kD-1no7A:
undetectable		 3p2kD-1no7A:
15.64
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.
1qgj PEROXIDASE N

(Arabidopsis
thaliana) 		PF00141
(peroxidase) 		5 GLY A 168
ALA A 214
ALA A 170
LEU A 216
SER A 109
 HEM  A1350 (-3.5A)
None
HEM  A1350 (-3.8A)
None
None
 1.06A 3p2kD-1qgjA:
undetectable		 3p2kD-1qgjA:
23.15
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.
1rgy BETA-LACTAMASE

(Citrobacter
freundii) 		PF00144
(Beta-lactamase) 		5 GLY A 268
ALA A 110
TRP A 271
LEU A 269
SER A 311
 None
 1.05A 3p2kD-1rgyA:
undetectable		 3p2kD-1rgyA:
19.52
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.
1s6r BETA-LACTAMASE

(Enterobacter
cloacae) 		PF00144
(Beta-lactamase) 		5 GLY A 268
ALA A 110
TRP A 271
LEU A 269
SER A 311
 None
 0.97A 3p2kD-1s6rA:
undetectable		 3p2kD-1s6rA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tjl DNAK SUPPRESSOR
PROTEIN

(Escherichia
coli) 		PF01258
(zf-dskA_traR) 		5 GLY A 112
VAL A 119
ALA A 132
LEU A  37
LEU A 126
 None
 1.01A 3p2kD-1tjlA:
undetectable		 3p2kD-1tjlA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tll NITRIC-OXIDE
SYNTHASE, BRAIN

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		5 GLY A1250
GLY A1282
VAL A1247
ALA A1254
SER A1313
 NAP  A1453 (-3.6A)
None
None
FAD  A1452 (-3.6A)
NAP  A1453 (-2.3A)
 1.05A 3p2kD-1tllA:
3.8		 3p2kD-1tllA:
14.87
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.
1v3t LEUKOTRIENE B4
12-HYDROXYDEHYDROGEN
ASE/PROSTAGLANDIN
15-KETO REDUCTASE

(Cavia porcellus) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 GLY A 123
GLY A 120
ALA A 283
LEU A 127
SER A  45
 None
 1.07A 3p2kD-1v3tA:
4.4		 3p2kD-1v3tA:
22.52
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.
1yb5 QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 160
GLY A 323
VAL A 189
ALA A 165
SER A 301
 NAP  A 801 ( 3.9A)
None
None
None
GOL  A 820 (-2.8A)
 1.00A 3p2kD-1yb5A:
undetectable		 3p2kD-1yb5A:
21.51
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.
2i7n PANTOTHENATE KINASE
1

(Homo sapiens) 		PF03630
(Fumble) 		5 GLY A 440
ALA A 515
ALA A 463
LEU A 549
LEU A 460
 None
 1.02A 3p2kD-2i7nA:
undetectable		 3p2kD-2i7nA:
19.44
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.
2ogx MOLYBDENUM STORAGE
PROTEIN SUBUNIT
ALPHA

(Azotobacter
vinelandii) 		PF00696
(AA_kinase) 		5 GLY A  79
GLY A  47
ALA A  84
ALA A 105
LEU A  77
 ATP  A 281 (-3.2A)
ATP  A 281 (-3.1A)
None
None
None
 1.02A 3p2kD-2ogxA:
2.6		 3p2kD-2ogxA:
22.37
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.
2pcq PUTATIVE
DIHYDRODIPICOLINATE
SYNTHASE

(Thermus
thermophilus) 		PF00701
(DHDPS) 		6 GLY A  68
GLY A  39
VAL A  45
ALA A  80
LEU A  66
LEU A  69
 None
 1.35A 3p2kD-2pcqA:
undetectable		 3p2kD-2pcqA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2por PORIN

(Rhodobacter
capsulatus) 		PF13609
(Porin_4) 		5 GLY A  77
GLY A 107
ALA A 132
ALA A 131
LEU A 120
 None
 0.95A 3p2kD-2porA:
undetectable		 3p2kD-2porA:
19.81
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.
2qtz METHIONINE SYNTHASE
REDUCTASE

(Homo sapiens) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		5 GLY A 546
GLY A 579
VAL A 543
ALA A 550
SER A 610
 NAP  A 701 ( 3.9A)
None
None
FAD  A 700 ( 4.7A)
NAP  A 701 (-2.7A)
 1.06A 3p2kD-2qtzA:
4.3		 3p2kD-2qtzA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rbc SUGAR KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 GLY A  14
ALA A  16
LEU A 140
TRP A  64
LEU A  63
 None
 0.99A 3p2kD-2rbcA:
undetectable		 3p2kD-2rbcA:
18.50
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.
2vcy TRANS-2-ENOYL-COA
REDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 108
ALA A 131
ALA A 148
LEU A 135
TRP A 138
 None
 0.80A 3p2kD-2vcyA:
4.4		 3p2kD-2vcyA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z6g B-CATENIN

(Danio rerio) 		PF00514
(Arm) 		5 GLY A 421
PRO A 462
ALA A 463
LEU A 384
TRP A 382
 None
 1.06A 3p2kD-2z6gA:
undetectable		 3p2kD-2z6gA:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b40 PROBABLE DIPEPTIDASE

(Pseudomonas
aeruginosa) 		PF01244
(Peptidase_M19) 		5 GLY A 297
GLY A 396
ALA A 267
LEU A 366
LEU A 302
 None
 1.06A 3p2kD-3b40A:
undetectable		 3p2kD-3b40A:
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.
3b9g IAG-NUCLEOSIDE
HYDROLASE

(Trypanosoma
vivax) 		PF01156
(IU_nuc_hydro) 		5 GLY A 239
ALA A 249
ALA A 252
LEU A 234
LEU A 310
 None
 1.00A 3p2kD-3b9gA:
2.6		 3p2kD-3b9gA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3baz HYDROXYPHENYLPYRUVAT
E REDUCTASE

(Plectranthus
scutellarioides) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A 156
GLY A 151
VAL A 201
ALA A 108
ALA A 105
 None
NAP  A 500 (-3.5A)
None
None
None
 1.07A 3p2kD-3bazA:
undetectable		 3p2kD-3bazA:
18.62
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.
3i4j AMINOTRANSFERASE,
CLASS III

(Deinococcus
radiodurans) 		PF00202
(Aminotran_3) 		6 GLY A 236
PRO A 198
VAL A 199
ALA A 230
ALA A 257
LEU A 244
 None
 1.15A 3p2kD-3i4jA:
undetectable		 3p2kD-3i4jA:
20.15
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.
3ltj ALPHAREP-4

(synthetic
construct) 		PF02985
(HEAT)
PF03130
(HEAT_PBS)
PF13646
(HEAT_2) 		5 GLY A  44
GLY A  47
VAL A  52
ALA A  70
ALA A  69
 None
 0.98A 3p2kD-3ltjA:
undetectable		 3p2kD-3ltjA:
21.31
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.
3ltj ALPHAREP-4

(synthetic
construct) 		PF02985
(HEAT)
PF03130
(HEAT_PBS)
PF13646
(HEAT_2) 		5 GLY A 106
GLY A 109
VAL A 114
ALA A 132
ALA A 131
 None
 0.98A 3p2kD-3ltjA:
undetectable		 3p2kD-3ltjA:
21.31
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.
3ltm ALPHA-REP4

(synthetic
construct) 		PF02985
(HEAT)
PF03130
(HEAT_PBS)
PF13646
(HEAT_2) 		5 GLY A  44
GLY A  47
VAL A  52
ALA A  70
ALA A  69
 None
None
None
None
12P  A1002 (-3.8A)
 1.03A 3p2kD-3ltmA:
undetectable		 3p2kD-3ltmA:
23.29
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.
3ltm ALPHA-REP4

(synthetic
construct) 		PF02985
(HEAT)
PF03130
(HEAT_PBS)
PF13646
(HEAT_2) 		5 GLY A 106
GLY A 109
VAL A 114
ALA A 132
ALA A 131
 None
None
None
None
1PE  A1001 (-3.3A)
 0.99A 3p2kD-3ltmA:
undetectable		 3p2kD-3ltmA:
23.29
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.
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 GLY A  84
GLY A  46
ALA A 156
LEU A  48
LEU A 113
 None
 1.06A 3p2kD-3m1lA:
5.2		 3p2kD-3m1lA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3maj DNA PROCESSING CHAIN
A

(Rhodopseudomonas
palustris) 		PF02481
(DNA_processg_A) 		5 GLY A 268
VAL A 266
ALA A 243
ALA A 244
LEU A 271
 None
None
None
SO4  A 401 ( 4.5A)
None
 0.94A 3p2kD-3majA:
undetectable		 3p2kD-3majA:
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.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		5 GLY A  32
GLY A  34
ALA A  87
LEU A 102
LEU A 108
 SAH  A 216 (-3.5A)
SAH  A 216 (-3.4A)
SAH  A 216 (-3.5A)
SAH  A 216 (-4.6A)
SAH  A 216 (-4.0A)
 0.37A 3p2kD-3mq2A:
26.2		 3p2kD-3mq2A:
29.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		5 GLY A  32
GLY A  34
ALA A  87
LEU A 108
SER A 192
 SAH  A 216 (-3.5A)
SAH  A 216 (-3.4A)
SAH  A 216 (-3.5A)
SAH  A 216 (-4.0A)
SAH  A 216 (-3.3A)
 0.88A 3p2kD-3mq2A:
26.2		 3p2kD-3mq2A:
29.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p06 VP4 PROTEIN

(Tellina virus) 		no annotation 5 GLY A 788
GLY A 786
VAL A 781
ALA A 790
LEU A 757
 GOL  A 101 ( 3.8A)
GOL  A 101 (-4.4A)
GOL  A 103 (-3.7A)
None
None
 1.06A 3p2kD-3p06A:
undetectable		 3p2kD-3p06A:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Lactobacillus
brevis) 		PF00348
(polyprenyl_synt) 		6 GLY A  46
ALA A  73
ALA A  74
LEU A  41
LEU A  23
TYR A  22
 None
 1.43A 3p2kD-3pkoA:
undetectable		 3p2kD-3pkoA:
19.54
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.
3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Lactobacillus
brevis) 		PF00348
(polyprenyl_synt) 		6 PRO A  51
ALA A  73
ALA A  74
LEU A  41
LEU A  23
TYR A  22
 None
 1.41A 3p2kD-3pkoA:
undetectable		 3p2kD-3pkoA:
19.54
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.
3pv2 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 194
GLY A  67
VAL A  21
ALA A 196
SER A  65
 None
 1.03A 3p2kD-3pv2A:
undetectable		 3p2kD-3pv2A:
19.05
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.
3srz TOXIN A

(Clostridioides
difficile) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		5 GLY A 262
ALA A 266
ALA A 267
LEU A 140
LEU A 264
 None
None
None
None
UPG  A 556 (-3.9A)
 0.90A 3p2kD-3srzA:
undetectable		 3p2kD-3srzA:
17.94
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.
3u5t 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 GLY A 131
VAL A  85
ALA A 124
ALA A 125
LEU A 170
 None
 0.97A 3p2kD-3u5tA:
5.6		 3p2kD-3u5tA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3un9 NLR FAMILY MEMBER X1

(Homo sapiens) 		PF13516
(LRR_6) 		6 GLY A 823
GLY A 820
ALA A 794
ALA A 797
LEU A 855
LEU A 826
 None
 1.37A 3p2kD-3un9A:
undetectable		 3p2kD-3un9A:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uoe DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF02615
(Ldh_2) 		5 GLY A  84
PRO A  87
VAL A  88
LEU A  60
LEU A  52
 None
 0.94A 3p2kD-3uoeA:
undetectable		 3p2kD-3uoeA:
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.
3uwd PHOSPHOGLYCERATE
KINASE

(Bacillus
anthracis) 		PF00162
(PGK) 		5 GLY A 257
ALA A 190
ALA A 191
LEU A 252
LEU A 215
 BTB  A 401 ( 4.9A)
None
None
None
None
 0.99A 3p2kD-3uwdA:
2.6		 3p2kD-3uwdA:
22.78
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.
4as5 INOSITOL
MONOPHOSPHATASE 1

(Mus musculus) 		PF00459
(Inositol_P) 		5 GLY A  94
VAL A 107
ALA A 197
ALA A 196
LEU A  42
 PO4  A 401 (-3.4A)
None
None
None
None
 1.02A 3p2kD-4as5A:
undetectable		 3p2kD-4as5A:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cza NA+/H+ ANTIPORTER,
PUTATIVE

(Pyrococcus
abyssi) 		PF00999
(Na_H_Exchanger) 		5 GLY A 262
GLY A 266
ALA A 240
ALA A 258
LEU A  77
 None
 1.01A 3p2kD-4czaA:
undetectable		 3p2kD-4czaA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d8u D-CYSTEINE
DESULFHYDRASE

(Salmonella
enterica) 		PF00291
(PALP) 		5 GLY A 160
ALA A  85
ALA A  88
LEU A  70
SER A 162
 None
 1.06A 3p2kD-4d8uA:
undetectable		 3p2kD-4d8uA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d9i DIAMINOPROPIONATE
AMMONIA-LYASE

(Escherichia
coli) 		PF00291
(PALP) 		5 GLY A 124
GLY A 121
VAL A 151
ALA A 159
ALA A 138
 None
 1.05A 3p2kD-4d9iA:
undetectable		 3p2kD-4d9iA:
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.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		5 GLY A 176
VAL A 201
LEU A 169
LEU A 206
SER A 152
 None
 1.04A 3p2kD-4daoA:
undetectable		 3p2kD-4daoA:
23.76
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.
4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE

(Bacillus
megaterium) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		5 GLY A 905
GLY A 936
VAL A 902
ALA A 909
SER A 966
 SO4  A1104 ( 4.2A)
None
None
FAD  A1101 ( 4.1A)
SO4  A1103 (-2.8A)
 1.00A 3p2kD-4dqkA:
4.5		 3p2kD-4dqkA:
20.31
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.
4f6t MOLYBDENUM STORAGE
PROTEIN SUBUNIT
ALPHA

(Azotobacter
vinelandii) 		PF00696
(AA_kinase) 		5 GLY A  79
GLY A  47
ALA A  84
ALA A 105
LEU A  77
 ATP  A 301 (-3.2A)
ATP  A 301 (-3.1A)
None
None
None
 1.05A 3p2kD-4f6tA:
2.4		 3p2kD-4f6tA:
23.77
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.
4g25 PENTATRICOPEPTIDE
REPEAT-CONTAINING
PROTEIN AT2G32230,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF16953
(PRORP)
PF17177
(PPR_long) 		5 GLY A 400
VAL A 490
ALA A 482
ALA A 481
LEU A 434
 None
 0.95A 3p2kD-4g25A:
undetectable		 3p2kD-4g25A:
19.44
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.
4glt GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN

(Methylobacillus
flagellatus) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		6 GLY A 160
PRO A  10
ALA A 104
LEU A 182
LEU A 166
TYR A 170
 None
GSH  A 301 (-4.4A)
None
None
None
None
 1.30A 3p2kD-4gltA:
undetectable		 3p2kD-4gltA:
23.77
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 13

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		5 GLY M 376
ALA M 268
ALA M 395
LEU M 382
LEU M 298
 None
 1.06A 3p2kD-4heaM:
undetectable		 3p2kD-4heaM:
17.51
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.
4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 GLY A 171
GLY A 199
ALA A 280
LEU A 173
LEU A 203
 None
 1.00A 3p2kD-4jn6A:
undetectable		 3p2kD-4jn6A:
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.
4jw2 A3 ARTIFICIAL
PROTEIN

(synthetic
construct) 		PF13646
(HEAT_2) 		5 GLY A  39
GLY A  42
VAL A  47
ALA A  65
ALA A  64
 None
 0.96A 3p2kD-4jw2A:
undetectable		 3p2kD-4jw2A:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kzk L-ARABINOSE ABC
TRANSPORTER,
PERIPLASMIC
L-ARABINOSE-BINDING
PROTEIN

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		5 GLY A 148
GLY A 144
ALA A 191
ALA A 192
LEU A 189
 None
 1.01A 3p2kD-4kzkA:
undetectable		 3p2kD-4kzkA:
20.28
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.
4nhd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 1

(Vibrio cholerae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 306
GLY A 183
ALA A 110
ALA A 111
LEU A 188
 None
None
None
SCY  A 112 ( 2.7A)
None
 1.05A 3p2kD-4nhdA:
undetectable		 3p2kD-4nhdA:
23.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ox9 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		6 GLY Y  32
GLY Y  34
PRO Y  56
VAL Y  57
ALA Y  85
LEU Y 104
 SFG  Y 301 (-3.9A)
SFG  Y 301 (-3.1A)
SFG  Y 301 (-4.4A)
U  A1485 ( 4.7A)
None
SFG  Y 301 (-4.6A)
 1.26A 3p2kD-4ox9Y:
30.9		 3p2kD-4ox9Y:
98.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ox9 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		10 GLY Y  32
GLY Y  34
PRO Y  56
VAL Y  57
ALA Y  86
ALA Y  87
LEU Y 104
LEU Y 110
TYR Y 113
TRP Y 197
 SFG  Y 301 (-3.9A)
SFG  Y 301 (-3.1A)
SFG  Y 301 (-4.4A)
U  A1485 ( 4.7A)
SFG  Y 301 ( 4.1A)
SFG  Y 301 (-4.0A)
SFG  Y 301 (-4.6A)
SFG  Y 301 (-4.0A)
None
SFG  Y 301 (-3.5A)
 0.70A 3p2kD-4ox9Y:
30.9		 3p2kD-4ox9Y:
98.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ox9 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		9 GLY Y  32
PRO Y  56
ALA Y  86
ALA Y  87
LEU Y 104
LEU Y 110
TYR Y 113
SER Y 195
TRP Y 197
 SFG  Y 301 (-3.9A)
SFG  Y 301 (-4.4A)
SFG  Y 301 ( 4.1A)
SFG  Y 301 (-4.0A)
SFG  Y 301 (-4.6A)
SFG  Y 301 (-4.0A)
None
SFG  Y 301 ( 3.7A)
SFG  Y 301 (-3.5A)
 1.11A 3p2kD-4ox9Y:
30.9		 3p2kD-4ox9Y:
98.65
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.
4pxq D-GLUCURONYL C5
EPIMERASE B

(Danio rerio) 		PF06662
(C5-epim_C) 		5 GLY A 165
GLY A 162
VAL A 318
ALA A 371
ALA A 372
 None
 1.06A 3p2kD-4pxqA:
undetectable		 3p2kD-4pxqA:
18.26
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.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		5 GLY A 262
ALA A 266
ALA A 267
LEU A 140
LEU A 264
 None
 1.02A 3p2kD-4r04A:
2.6		 3p2kD-4r04A:
8.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v2p KETOSYNTHASE

(Myxococcus
fulvus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 295
GLY A  88
ALA A 170
ALA A 171
LEU A 122
 None
 0.98A 3p2kD-4v2pA:
undetectable		 3p2kD-4v2pA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xl5 BGFP-A

(synthetic
construct) 		PF02985
(HEAT)
PF13646
(HEAT_2) 		5 GLY C  39
GLY C  42
VAL C  47
ALA C  65
ALA C  64
 None
 1.02A 3p2kD-4xl5C:
undetectable		 3p2kD-4xl5C:
23.78
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.
4xl5 BGFP-A

(synthetic
construct) 		PF02985
(HEAT)
PF13646
(HEAT_2) 		5 GLY C  70
GLY C  73
VAL C  78
ALA C  96
ALA C  95
 None
 1.00A 3p2kD-4xl5C:
undetectable		 3p2kD-4xl5C:
23.78
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.
4xl5 BGFP-A

(synthetic
construct) 		PF02985
(HEAT)
PF13646
(HEAT_2) 		5 GLY C 163
GLY C 166
VAL C 171
ALA C 189
ALA C 188
 None
 0.97A 3p2kD-4xl5C:
undetectable		 3p2kD-4xl5C:
23.78
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.
4ycz NUP85

(Thermothelomyces
thermophila) 		PF07575
(Nucleopor_Nup85) 		5 GLY B 701
ALA B 319
ALA B 322
LEU B 716
TYR B 326
 None
 0.97A 3p2kD-4yczB:
undetectable		 3p2kD-4yczB:
12.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yot 3-5 EXONUCLEASE
PHOEXO I

(Pyrococcus
horikoshii) 		PF13680
(DUF4152) 		5 VAL A  76
ALA A   5
ALA A   6
LEU A 119
LEU A  79
 None
 1.03A 3p2kD-4yotA:
undetectable		 3p2kD-4yotA:
22.45
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.
4yu5 IMMUNE INHIBITOR A,
METALLOPROTEASE

(Bacillus cereus) 		PF05547
(Peptidase_M6) 		5 GLY A 691
GLY A 693
PRO A 401
ALA A 770
SER A 680
 None
 1.01A 3p2kD-4yu5A:
undetectable		 3p2kD-4yu5A:
15.87
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.
4yuf CORB

(Corallococcus
coralloides) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 295
GLY A  88
ALA A 170
ALA A 171
LEU A 122
 None
 1.06A 3p2kD-4yufA:
undetectable		 3p2kD-4yufA:
22.78
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.
4z19 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Yersinia pestis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 306
GLY A 183
ALA A 110
ALA A 111
LEU A 188
 None
None
None
SCY  A 112 ( 2.7A)
None
 1.04A 3p2kD-4z19A:
undetectable		 3p2kD-4z19A:
20.49
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.
4zv6 ALPHAREP-7

(synthetic
construct) 		PF13646
(HEAT_2) 		5 GLY A 132
GLY A 135
VAL A 140
ALA A 158
ALA A 157
 None
 1.05A 3p2kD-4zv6A:
undetectable		 3p2kD-4zv6A:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zv6 ALPHAREP-7

(synthetic
construct) 		PF13646
(HEAT_2) 		5 GLY A 163
GLY A 166
VAL A 171
ALA A 189
ALA A 188
 None
 1.00A 3p2kD-4zv6A:
undetectable		 3p2kD-4zv6A:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zv6 ALPHAREP-7

(synthetic
construct) 		PF13646
(HEAT_2) 		5 GLY A 194
GLY A 197
VAL A 202
ALA A 220
ALA A 219
 None
 0.91A 3p2kD-4zv6A:
undetectable		 3p2kD-4zv6A:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zv9 UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		PF01738
(DLH) 		5 GLY A 109
GLY A 133
VAL A 104
LEU A 150
SER A 136
 None
 0.97A 3p2kD-4zv9A:
undetectable		 3p2kD-4zv9A:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bw4 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Catenulispora
acidiphila) 		no annotation 6 GLY A  38
GLY A  40
PRO A  62
ALA A  92
LEU A 110
LEU A 116
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.5A)
SAM  A 301 ( 4.3A)
SAM  A 301 (-4.7A)
SAM  A 301 (-4.0A)
 0.42A 3p2kD-5bw4A:
24.3		 3p2kD-5bw4A:
26.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dcq ARTIFICIAL REPEAT
PROTEINS (ALPHAREP3)

(synthetic
construct) 		PF03130
(HEAT_PBS)
PF13646
(HEAT_2) 		5 GLY A  69
GLY A  72
VAL A  77
ALA A  95
ALA A  94
 None
 1.01A 3p2kD-5dcqA:
undetectable		 3p2kD-5dcqA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e26 PANTOTHENATE KINASE
2, MITOCHONDRIAL

(Homo sapiens) 		PF03630
(Fumble) 		5 GLY A 415
ALA A 490
ALA A 438
LEU A 524
LEU A 435
 ADP  A 601 (-3.5A)
None
None
None
None
 0.80A 3p2kD-5e26A:
undetectable		 3p2kD-5e26A:
21.83
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.
5i5l BACTERIOPHYTOCHROME
PROTEIN

(Agrobacterium
fabrum) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		5 GLY A 341
GLY A 344
ALA A 334
ALA A 333
LEU A 352
 None
 0.91A 3p2kD-5i5lA:
undetectable		 3p2kD-5i5lA:
20.24
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 GLY B1142
ALA A 506
ALA A 457
LEU B1147
LEU A 501
 None
 1.04A 3p2kD-5ip9B:
undetectable		 3p2kD-5ip9B:
10.72
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.
5irm UNCHARACTERIZED
PROTEIN

(Oryctolagus
cuniculus) 		PF05729
(NACHT)
PF13516
(LRR_6) 		5 GLY A 786
GLY A 783
ALA A 757
ALA A 760
SER A 808
 None
 1.01A 3p2kD-5irmA:
undetectable		 3p2kD-5irmA:
12.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l39 RMM MICROCOMPARTMENT
SHELL PROTEIN
MSM0275

(Mycolicibacterium
smegmatis) 		PF00936
(BMC) 		5 GLY A  63
GLY A  27
PRO A  30
ALA A  36
LEU A  65
 None
 0.93A 3p2kD-5l39A:
undetectable		 3p2kD-5l39A:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
1
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
6
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4L

(Bos taurus;
Bos taurus;
Bos taurus) 		PF00146
(NADHdh)
PF00499
(Oxidored_q3)
PF00420
(Oxidored_q2) 		5 GLY J  62
VAL J  67
ALA K  71
LEU J  58
SER H 110
 None
 1.00A 3p2kD-5lc5J:
undetectable		 3p2kD-5lc5J:
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.
5mq6 PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF07992
(Pyr_redox_2) 		5 GLY A  85
GLY A  90
ALA A 115
ALA A 114
LEU A 221
 FAD  A 700 (-3.6A)
None
FAD  A 700 ( 4.0A)
FAD  A 700 (-3.6A)
None
 0.97A 3p2kD-5mq6A:
2.1		 3p2kD-5mq6A:
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.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 5 ALA A 430
ALA A 431
LEU A1287
LEU A1308
TYR A 434
 None
 1.02A 3p2kD-5ngyA:
undetectable		 3p2kD-5ngyA:
10.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nit GLUCOSE OXIDASE

(Aspergillus
niger) 		no annotation 6 GLY A  27
GLY A 101
ALA A 289
ALA A  25
LEU A 233
TRP A 232
 FAD  A 601 ( 4.8A)
None
FAD  A 601 (-3.6A)
None
None
None
 1.32A 3p2kD-5nitA:
4.2		 3p2kD-5nitA:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5suh MSM0271 PROTEIN

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY A  75
GLY A  38
PRO A  41
ALA A  47
LEU A  77
 None
 0.88A 3p2kD-5suhA:
undetectable		 3p2kD-5suhA:
20.83
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.
5tsq IUNH

(Leishmania
braziliensis) 		PF01156
(IU_nuc_hydro) 		6 PRO A  11
VAL A  45
ALA A  16
ALA A  18
LEU A 151
LEU A   7
 None
 1.44A 3p2kD-5tsqA:
undetectable		 3p2kD-5tsqA:
22.22
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.
5vvw UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Pseudomonas
aeruginosa) 		PF01225
(Mur_ligase)
PF08245
(Mur_ligase_M) 		6 GLY A 117
VAL A 185
ALA A 121
ALA A 171
LEU A 111
LEU A 181
 None
 1.39A 3p2kD-5vvwA:
2.9		 3p2kD-5vvwA:
20.81
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii;
Komagataella
phaffii) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 GLY B1142
ALA A 507
ALA A 458
LEU B1147
LEU A 502
 None
 0.99A 3p2kD-5xogB:
undetectable		 3p2kD-5xogB:
10.71
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.
5zb3 -

(-) 		no annotation 5 GLY A 278
GLY A 441
ALA A 274
LEU A 328
LEU A 282
 None
 0.97A 3p2kD-5zb3A:
undetectable		 3p2kD-5zb3A:
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.
6avy ACYL-PROTEIN
THIOESTERASE 2

(Zea mays) 		no annotation 5 GLY A 128
ALA A 136
LEU A 160
TRP A 163
LEU A 133
 None
 1.07A 3p2kD-6avyA:
undetectable		 3p2kD-6avyA:
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.
6bqc CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Escherichia
coli) 		no annotation 5 GLY A  54
GLY A  57
PRO A 279
LEU A  51
LEU A  96
 LOP  A 402 ( 4.2A)
None
None
None
None
 1.07A 3p2kD-6bqcA:
10.5		 3p2kD-6bqcA:
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.
6ft5 -

(-) 		no annotation 5 GLY A  44
GLY A  47
VAL A  52
ALA A  70
ALA A  69
 None
None
None
None
GOL  A 502 (-3.7A)
 0.94A 3p2kD-6ft5A:
undetectable		 3p2kD-6ft5A:
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.
6ft5 -

(-) 		no annotation 5 GLY A 106
GLY A 109
VAL A 114
ALA A 132
ALA A 131
 None
 1.00A 3p2kD-6ft5A:
undetectable		 3p2kD-6ft5A:
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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 ASN A 134
ASP A 183
GLU A 217
THR A 321
 None
ZN  A 700 (-2.4A)
None
SO4  A 801 (-3.2A)
 1.49A 3p2kD-2yheA:
0.0		 3p2kD-2yheA:
16.44
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.
3ehm SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		4 ASN A  67
ASP A  54
GLU A 449
THR A 452
 None
 1.38A 3p2kD-3ehmA:
0.0		 3p2kD-3ehmA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l7y PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1108C

(Streptococcus
mutans) 		PF08282
(Hydrolase_3) 		4 ASN A 237
ASP A   9
GLU A 224
THR A 179
 None
MG  A 271 (-2.9A)
None
None
 1.43A 3p2kD-3l7yA:
0.3		 3p2kD-3l7yA:
22.26
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.
4ht1 CHIMERIC ANTIBODY
FAB
CHIMERIC ANTIBODY
FAB
TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
12

(Oryctolagus
cuniculus;
Oryctolagus
cuniculus;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set)
PF00229
(TNF) 		4 ASN L  32
ASP T  32
GLU T  57
THR H  31
 None
 1.39A 3p2kD-4ht1L:
0.0		 3p2kD-4ht1L:
22.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ox9 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		4 ASN Y  38
ASP Y  55
GLU Y  88
THR Y 109
 SFG  Y 301 ( 4.5A)
SFG  Y 301 (-2.8A)
SFG  Y 301 (-3.6A)
SFG  Y 301 (-3.3A)
 0.64A 3p2kD-4ox9Y:
30.9		 3p2kD-4ox9Y:
98.65
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.
4r8x URICASE

(Bacillus
fastidiosus) 		PF01014
(Uricase) 		4 ASN A 241
ASP A 195
GLU A 279
THR A 276
 None
 1.48A 3p2kD-4r8xA:
0.0		 3p2kD-4r8xA:
22.85
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.
5bxp LACTO-N-BIOSIDASE

(Bifidobacterium
bifidum) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF14200
(RicinB_lectin_2) 		4 ASN A 286
ASP A 320
GLU A 392
THR A 185
 SO4  A 704 (-3.4A)
GAL  A 701 (-3.0A)
None
None
 1.16A 3p2kD-5bxpA:
0.0		 3p2kD-5bxpA:
16.64
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.
5mdq CHITOPORIN

(Vibrio harveyi) 		no annotation 4 ASN A 127
ASP A 135
GLU A 204
THR A 115
 None
 1.14A 3p2kD-5mdqA:
undetectable		 3p2kD-5mdqA:
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.
6c6l V-TYPE PROTON ATPASE
SUBUNIT D
V-TYPE PROTON ATPASE
SUBUNIT C''

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		no annotation
no annotation 		4 ASN B  22
ASP C 174
GLU C 188
THR C  82
 None
 1.27A 3p2kD-6c6lB:
undetectable		 3p2kD-6c6lB:
undetectable