SIMILAR PATTERNS OF AMINO ACIDS FOR 2V41_G_BEZG1222

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.
1b7g PROTEIN
(GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE)

(Sulfolobus
solfataricus) 		PF01113
(DapB_N)
PF02800
(Gp_dh_C) 		4 THR O 328
SER O 324
GLU O 307
ALA O 121
 None
 0.91A 2v41G-1b7gO:
undetectable
2v41H-1b7gO:
undetectable		 2v41G-1b7gO:
21.36
2v41H-1b7gO:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fcp PROTEIN (FERRIC
HYDROXAMATE UPTAKE
RECEPTOR)

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 PRO A 135
VAL A 136
SER A 137
GLU A 510
 None
 1.02A 2v41G-1fcpA:
undetectable
2v41H-1fcpA:
undetectable		 2v41G-1fcpA:
16.55
2v41H-1fcpA:
16.55
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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 THR A 310
PRO A 311
ARG A 388
PRO A 381
 None
 0.92A 2v41G-1flgA:
undetectable
2v41H-1flgA:
undetectable		 2v41G-1flgA:
16.18
2v41H-1flgA:
16.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gcy GLUCAN
1,4-ALPHA-MALTOTETRA
HYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		4 THR A 328
PRO A 329
VAL A 330
ALA A  53
 None
 1.06A 2v41G-1gcyA:
undetectable
2v41H-1gcyA:
undetectable		 2v41G-1gcyA:
18.15
2v41H-1gcyA:
18.15
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.
1iyl MYRISTOYL-COA:PROTEI
N
N-MYRISTOYLTRANSFERA
SE

(Candida
albicans) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 THR A 156
PRO A 157
VAL A 158
PRO A 130
 None
 0.98A 2v41G-1iylA:
undetectable
2v41H-1iylA:
undetectable		 2v41G-1iylA:
20.00
2v41H-1iylA:
20.00
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.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 THR A 704
PRO A 703
GLU A 473
PRO A 684
 None
 0.90A 2v41G-1rw9A:
undetectable
2v41H-1rw9A:
undetectable		 2v41G-1rw9A:
14.97
2v41H-1rw9A:
14.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		4 THR A 365
PRO A 366
VAL A 367
ALA A  10
 None
 0.86A 2v41G-1sqjA:
undetectable
2v41H-1sqjA:
undetectable		 2v41G-1sqjA:
14.58
2v41H-1sqjA:
14.58
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.
1ur4 GALACTANASE

(Bacillus
licheniformis) 		PF07745
(Glyco_hydro_53) 		4 THR A 254
VAL A 251
SER A 250
GLU A 217
 None
 0.89A 2v41G-1ur4A:
undetectable
2v41H-1ur4A:
undetectable		 2v41G-1ur4A:
21.04
2v41H-1ur4A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v26 LONG-CHAIN-FATTY-ACI
D-COA SYNTHETASE

(Thermus
thermophilus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 THR A 409
PRO A 410
ARG A 367
ALA A 369
 None
 1.15A 2v41G-1v26A:
undetectable
2v41H-1v26A:
undetectable		 2v41G-1v26A:
18.45
2v41H-1v26A:
18.45
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.
1vcn CTP SYNTHETASE

(Thermus
thermophilus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		4 PRO A 523
SER A 521
ALA A 507
PRO A 535
 None
 0.89A 2v41G-1vcnA:
undetectable
2v41H-1vcnA:
undetectable		 2v41G-1vcnA:
18.05
2v41H-1vcnA:
18.05
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		4 THR A 938
PRO A 939
VAL A 940
ALA A 884
 None
 1.14A 2v41G-1vrqA:
undetectable
2v41H-1vrqA:
undetectable		 2v41G-1vrqA:
12.05
2v41H-1vrqA:
12.05
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.
1xuq SUPEROXIDE DISMUTASE

(Bacillus
anthracis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 THR A 159
PRO A 160
VAL A 161
GLU A 201
 None
 1.07A 2v41G-1xuqA:
undetectable
2v41H-1xuqA:
undetectable		 2v41G-1xuqA:
18.28
2v41H-1xuqA:
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.
1y25 PROBABLE THIOL
PEROXIDASE

(Mycobacterium
tuberculosis) 		PF08534
(Redoxin) 		5 THR A  57
PRO A  58
VAL A  59
SER A  60
ARG A 130
 ACT  A1200 (-3.6A)
ACT  A1200 (-3.6A)
ACT  A1200 (-3.7A)
ACT  A1200 (-2.8A)
ACT  A1200 (-3.1A)
 0.29A 2v41G-1y25A:
16.5
2v41H-1y25A:
16.5		 2v41G-1y25A:
25.11
2v41H-1y25A:
25.11
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.
2amg 1,4-ALPHA-D-GLUCAN
MALTOTETRAHYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		4 THR A 328
PRO A 329
VAL A 330
ALA A  53
 None
 1.07A 2v41G-2amgA:
undetectable
2v41H-2amgA:
undetectable		 2v41G-2amgA:
19.76
2v41H-2amgA:
19.76
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.
2bws XAA-PRO
AMINOPEPTIDASE P

(Escherichia
coli) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		4 THR A 420
VAL A 423
GLU A 406
ARG A 274
 None
None
MN  A1442 ( 2.4A)
None
 1.11A 2v41G-2bwsA:
undetectable
2v41H-2bwsA:
undetectable		 2v41G-2bwsA:
19.23
2v41H-2bwsA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cw7 ENDONUCLEASE
PI-PKOII

(Thermococcus
kodakarensis) 		PF14528
(LAGLIDADG_3)
PF14890
(Intein_splicing) 		4 VAL A 364
GLU A 276
ALA A 374
PRO A 368
 None
 1.13A 2v41G-2cw7A:
undetectable
2v41H-2cw7A:
undetectable		 2v41G-2cw7A:
17.44
2v41H-2cw7A:
17.44
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.
2czc GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF01113
(DapB_N)
PF02800
(Gp_dh_C) 		4 THR A 326
SER A 322
GLU A 305
ALA A 123
 None
 0.90A 2v41G-2czcA:
undetectable
2v41H-2czcA:
undetectable		 2v41G-2czcA:
19.54
2v41H-2czcA:
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.
2d2x 2-DEOXY-SCYLLO-INOSO
SE SYNTHASE

(Bacillus
circulans) 		PF01761
(DHQ_synthase) 		4 THR A 353
PRO A 354
VAL A 355
ALA A 277
 None
 1.16A 2v41G-2d2xA:
undetectable
2v41H-2d2xA:
undetectable		 2v41G-2d2xA:
24.24
2v41H-2d2xA:
24.24
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.
2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE

(Escherichia
coli) 		PF07883
(Cupin_2) 		4 THR A 308
PRO A 307
SER A 277
ALA A  86
 None
 1.08A 2v41G-2d40A:
undetectable
2v41H-2d40A:
undetectable		 2v41G-2d40A:
20.43
2v41H-2d40A:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d7i POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 10

(Homo sapiens) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		4 PRO A 558
VAL A 559
SER A 560
ALA A 526
 None
 0.74A 2v41G-2d7iA:
2.2
2v41H-2d7iA:
2.3		 2v41G-2d7iA:
18.00
2v41H-2d7iA:
18.00
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.
2ddw PYRIDOXINE KINASE

(Escherichia
coli) 		PF08543
(Phos_pyr_kin) 		5 THR A 157
PRO A 158
VAL A 192
ALA A 153
PRO A 126
 None
 1.40A 2v41G-2ddwA:
undetectable
2v41H-2ddwA:
undetectable		 2v41G-2ddwA:
23.65
2v41H-2ddwA:
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.
2hj9 AUTOINDUCER
2-BINDING
PERIPLASMIC PROTEIN
LUXP

(Vibrio harveyi) 		PF13407
(Peripla_BP_4) 		4 THR A  45
SER A  49
ALA A 318
PRO A 333
 None
 1.11A 2v41G-2hj9A:
undetectable
2v41H-2hj9A:
undetectable		 2v41G-2hj9A:
19.13
2v41H-2hj9A:
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.
2i2x METHYLTRANSFERASE 1

(Methanosarcina
barkeri) 		PF12176
(MtaB) 		4 VAL A 378
SER A 381
ALA A 397
PRO A 252
 None
 0.95A 2v41G-2i2xA:
undetectable
2v41H-2i2xA:
undetectable		 2v41G-2i2xA:
19.65
2v41H-2i2xA:
19.65
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.
2o74 OHCU DECARBOXYLASE

(Danio rerio) 		PF09349
(OHCU_decarbox) 		4 THR A  81
PRO A  82
SER A  84
ARG A 161
 None
None
GUN  A1001 (-2.9A)
None
 0.97A 2v41G-2o74A:
undetectable
2v41H-2o74A:
undetectable		 2v41G-2o74A:
23.08
2v41H-2o74A:
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.
2ri8 MANNOSYL-OLIGOSACCHA
RIDE
ALPHA-1,2-MANNOSIDAS
E

(Penicillium
citrinum) 		PF01532
(Glyco_hydro_47) 		4 THR A1066
PRO A1067
VAL A1068
SER A1069
 None
 0.40A 2v41G-2ri8A:
undetectable
2v41H-2ri8A:
undetectable		 2v41G-2ri8A:
19.08
2v41H-2ri8A:
19.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2v41 PEROXIREDOXIN 6.

(Arenicola
marina) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		7 THR A  42
PRO A  43
VAL A  44
SER A  45
GLU A 117
ARG A 128
ALA A 147
 BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.7A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.3A)
BEZ  A1222 ( 3.7A)
 0.24A 2v41G-2v41A:
34.3
2v41H-2v41A:
34.5		 2v41G-2v41A:
100.00
2v41H-2v41A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wfc PEROXIREDOXIN 5

(Arenicola
marina) 		PF08534
(Redoxin) 		4 THR A  71
PRO A  72
SER A  74
ARG A 152
 None
 0.34A 2v41G-2wfcA:
18.3
2v41H-2wfcA:
18.3		 2v41G-2wfcA:
29.71
2v41H-2wfcA:
29.71
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.
2wtb FATTY ACID
MULTIFUNCTIONAL
PROTEIN (ATMFP2)

(Arabidopsis
thaliana) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 VAL A 187
SER A 129
ALA A 132
PRO A 190
 None
 1.15A 2v41G-2wtbA:
2.1
2v41H-2wtbA:
2.0		 2v41G-2wtbA:
14.96
2v41H-2wtbA:
14.96
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.
2yl2 ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 PRO A 269
VAL A 455
SER A 456
ALA A 502
 None
 1.13A 2v41G-2yl2A:
undetectable
2v41H-2yl2A:
undetectable		 2v41G-2yl2A:
17.19
2v41H-2yl2A:
17.19
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.
2yyy GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF01113
(DapB_N)
PF02800
(Gp_dh_C) 		4 THR A 336
SER A 332
GLU A 314
ALA A 126
 None
 0.97A 2v41G-2yyyA:
undetectable
2v41H-2yyyA:
undetectable		 2v41G-2yyyA:
22.67
2v41H-2yyyA:
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.
2yzh PROBABLE THIOL
PEROXIDASE

(Aquifex
aeolicus) 		PF08534
(Redoxin) 		4 THR A  58
PRO A  59
VAL A  60
ARG A 132
 None
 0.62A 2v41G-2yzhA:
15.7
2v41H-2yzhA:
15.7		 2v41G-2yzhA:
25.43
2v41H-2yzhA:
25.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2z9s PEROXIREDOXIN-1

(Rattus
norvegicus) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 THR A  49
VAL A  51
SER A  52
ARG A 128
 None
 0.33A 2v41G-2z9sA:
22.3
2v41H-2z9sA:
22.5		 2v41G-2z9sA:
30.17
2v41H-2z9sA:
30.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3a5w PROBABLE
PEROXIREDOXIN

(Aeropyrum
pernix) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 THR A  47
PRO A  48
VAL A  49
ARG A 126
 None
 0.28A 2v41G-3a5wA:
22.4
2v41H-3a5wA:
22.5		 2v41G-3a5wA:
33.20
2v41H-3a5wA:
33.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE

(Sulfurisphaera
tokodaii) 		PF07859
(Abhydrolase_3) 		4 THR A  37
PRO A  38
ALA A  95
PRO A 280
 None
 1.03A 2v41G-3ailA:
undetectable
2v41H-3ailA:
undetectable		 2v41G-3ailA:
21.88
2v41H-3ailA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		4 THR A 150
PRO A  95
VAL A  94
ALA A 124
 None
 1.04A 2v41G-3cavA:
undetectable
2v41H-3cavA:
undetectable		 2v41G-3cavA:
20.54
2v41H-3cavA:
20.54
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.
3d9r KETOSTEROID
ISOMERASE-LIKE
PROTEIN

(Pectobacterium
atrosepticum) 		PF12680
(SnoaL_2) 		4 THR A  65
VAL A  62
SER A  61
ARG A  46
 None
 0.86A 2v41G-3d9rA:
undetectable
2v41H-3d9rA:
undetectable		 2v41G-3d9rA:
21.58
2v41H-3d9rA:
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.
3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG

(Sulfolobus
solfataricus) 		PF00578
(AhpC-TSA) 		4 THR A  42
PRO A  43
SER A  45
ARG A 112
 CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.5A)
CIT  A 500 (-3.7A)
 0.58A 2v41G-3drnA:
19.3
2v41H-3drnA:
19.3		 2v41G-3drnA:
27.78
2v41H-3drnA:
27.78
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.
3e7w D-ALANINE--POLY(PHOS
PHORIBITOL) LIGASE
SUBUNIT 1

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 PRO A 180
VAL A 181
SER A 182
ALA A 177
 None
 1.10A 2v41G-3e7wA:
undetectable
2v41H-3e7wA:
undetectable		 2v41G-3e7wA:
18.68
2v41H-3e7wA:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g0t PUTATIVE
AMINOTRANSFERASE

(Porphyromonas
gingivalis) 		PF00155
(Aminotran_1_2) 		4 THR A 194
PRO A 193
ALA A 409
PRO A 140
 None
 1.05A 2v41G-3g0tA:
undetectable
2v41H-3g0tA:
undetectable		 2v41G-3g0tA:
19.86
2v41H-3g0tA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hjp PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG (BCP-4)

(Sulfolobus
solfataricus) 		PF00578
(AhpC-TSA) 		4 THR A  42
VAL A  44
SER A  45
ARG A 119
 CL  A 700 (-3.2A)
None
CL  A 700 (-3.0A)
CL  A 700 (-3.5A)
 0.50A 2v41G-3hjpA:
20.8
2v41H-3hjpA:
20.9		 2v41G-3hjpA:
26.81
2v41H-3hjpA:
26.81
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.
3i4x TRYPTOPHAN
DIMETHYLALLYLTRANSFE
RASE

(Aspergillus
fumigatus) 		PF11991
(Trp_DMAT) 		4 THR A  86
PRO A  87
GLU A 418
PRO A  70
 None
 1.02A 2v41G-3i4xA:
undetectable
2v41H-3i4xA:
undetectable		 2v41G-3i4xA:
17.97
2v41H-3i4xA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4) 		4 THR 3 430
PRO 3 431
GLU 3 287
PRO 3 423
 None
 0.83A 2v41G-3i9v3:
undetectable
2v41H-3i9v3:
undetectable		 2v41G-3i9v3:
16.09
2v41H-3i9v3:
16.09
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.
3ihj ALANINE
AMINOTRANSFERASE 2

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		4 THR A 273
PRO A 272
GLU A 237
PRO A 214
 None
 1.12A 2v41G-3ihjA:
undetectable
2v41H-3ihjA:
undetectable		 2v41G-3ihjA:
20.37
2v41H-3ihjA:
20.37
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.
3lul 4-AMINO-4-DEOXYCHORI
SMATE LYASE

(Legionella
pneumophila) 		PF01063
(Aminotran_4) 		4 THR A   3
PRO A   2
SER A 105
ALA A  53
 None
 0.92A 2v41G-3lulA:
undetectable
2v41H-3lulA:
undetectable		 2v41G-3lulA:
22.55
2v41H-3lulA:
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.
3n0t DIPEPTIDYL PEPTIDASE
2

(Homo sapiens) 		PF05577
(Peptidase_S28) 		4 PRO A 455
VAL A 458
ARG A 462
PRO A 275
 None
 1.00A 2v41G-3n0tA:
undetectable
2v41H-3n0tA:
undetectable		 2v41G-3n0tA:
19.57
2v41H-3n0tA:
19.57
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.
3q75 FARNESYLTRANSFERASE
BETA SUBUNIT

(Cryptococcus
neoformans) 		PF00432
(Prenyltrans) 		4 THR B 498
PRO B 499
VAL B 500
ALA B 474
 None
 0.76A 2v41G-3q75B:
undetectable
2v41H-3q75B:
undetectable		 2v41G-3q75B:
16.63
2v41H-3q75B:
16.63
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.
3s6h N-ACETYLGLUTAMATE
KINASE /
N-ACETYLGLUTAMATE
SYNTHASE

(Maricaulis
maris) 		PF00696
(AA_kinase)
PF04768
(NAT) 		4 THR A  70
PRO A  71
VAL A  72
ALA A 166
 None
 1.15A 2v41G-3s6hA:
2.4
2v41H-3s6hA:
2.2		 2v41G-3s6hA:
19.57
2v41H-3s6hA:
19.57
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.
3sbc PEROXIREDOXIN TSA1

(Saccharomyces
cerevisiae) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 THR A  44
VAL A  46
SER A  47
ARG A 123
 None
 0.43A 2v41G-3sbcA:
21.1
2v41H-3sbcA:
21.1		 2v41G-3sbcA:
24.69
2v41H-3sbcA:
24.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tb2 1-CYS PEROXIREDOXIN

(Plasmodium
yoelii) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 THR A  44
PRO A  45
VAL A  46
ARG A 129
ALA A 148
 GOL  A 223 ( 4.3A)
GOL  A 223 (-3.6A)
GOL  A 223 (-3.7A)
GOL  A 223 (-4.1A)
GOL  A 223 (-3.6A)
 0.29A 2v41G-3tb2A:
29.7
2v41H-3tb2A:
30.2		 2v41G-3tb2A:
45.34
2v41H-3tb2A:
45.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tb2 1-CYS PEROXIREDOXIN

(Plasmodium
yoelii) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 VAL A  46
GLU A 118
ARG A 129
ALA A 148
 GOL  A 223 (-3.7A)
GOL  A 223 (-3.4A)
GOL  A 223 (-4.1A)
GOL  A 223 (-3.6A)
 0.52A 2v41G-3tb2A:
29.7
2v41H-3tb2A:
30.2		 2v41G-3tb2A:
45.34
2v41H-3tb2A:
45.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v94 CYCLIC NUCLEOTIDE
SPECIFIC
PHOSPHODIESTERASE

(Trypanosoma
cruzi) 		PF00233
(PDEase_I) 		4 PRO A 427
VAL A 428
SER A 429
PRO A 284
 None
 0.81A 2v41G-3v94A:
undetectable
2v41H-3v94A:
undetectable		 2v41G-3v94A:
20.17
2v41H-3v94A:
20.17
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.
3vr5 V-TYPE SODIUM ATPASE
SUBUNIT B

(Enterococcus
hirae) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 PRO D 316
GLU D 255
ALA D 254
PRO D 307
 None
 1.16A 2v41G-3vr5D:
undetectable
2v41H-3vr5D:
undetectable		 2v41G-3vr5D:
18.68
2v41H-3vr5D:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aal CYTOCHROME C551
PEROXIDASE

(Geobacter
sulfurreducens) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		4 THR A 147
PRO A 341
GLU A 136
ALA A  67
 None
 1.14A 2v41G-4aalA:
undetectable
2v41H-4aalA:
undetectable		 2v41G-4aalA:
20.74
2v41H-4aalA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4af2 THIOL PEROXIDASE

(Escherichia
coli) 		PF08534
(Redoxin) 		4 THR A  58
VAL A  60
SER A  61
ARG A 133
 None
 0.36A 2v41G-4af2A:
16.8
2v41H-4af2A:
16.7		 2v41G-4af2A:
24.90
2v41H-4af2A:
24.90
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.
4b4u BIFUNCTIONAL PROTEIN
FOLD

(Acinetobacter
baumannii) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		4 THR A 255
PRO A 256
VAL A 257
ALA A 229
 None
None
EDO  A1286 ( 4.9A)
None
 1.05A 2v41G-4b4uA:
undetectable
2v41H-4b4uA:
undetectable		 2v41G-4b4uA:
20.57
2v41H-4b4uA:
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.
4bm1 MANGANESE PEROXIDASE
4

(Pleurotus
ostreatus) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 THR A 196
PRO A 197
VAL A 178
ALA A 122
 CA  A 402 (-3.6A)
None
None
None
 0.91A 2v41G-4bm1A:
undetectable
2v41H-4bm1A:
undetectable		 2v41G-4bm1A:
22.09
2v41H-4bm1A:
22.09
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.
4egt MAJOR CAPSID PROTEIN
VP60

(Rabbit
hemorrhagic
disease virus) 		PF00915
(Calici_coat) 		4 THR A 459
PRO A 460
VAL A 267
PRO A 454
 None
 0.99A 2v41G-4egtA:
undetectable
2v41H-4egtA:
undetectable		 2v41G-4egtA:
22.04
2v41H-4egtA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 12

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N) 		4 THR L 234
PRO L 235
VAL L 236
SER L 237
 None
 0.74A 2v41G-4heaL:
undetectable
2v41H-4heaL:
undetectable		 2v41G-4heaL:
14.52
2v41H-4heaL:
14.52
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.
4hq6 ACETYL-COA
CARBOXYLASE 2

(Homo sapiens) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 PRO A 374
VAL A 561
SER A 562
ALA A 608
 None
 1.13A 2v41G-4hq6A:
undetectable
2v41H-4hq6A:
undetectable		 2v41G-4hq6A:
17.80
2v41H-4hq6A:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ka8 OLIGOPEPTIDASE A

(Arabidopsis
thaliana) 		PF01432
(Peptidase_M3) 		4 THR A 551
PRO A 552
ALA A 288
PRO A 318
 None
 1.15A 2v41G-4ka8A:
undetectable
2v41H-4ka8A:
undetectable		 2v41G-4ka8A:
15.13
2v41H-4ka8A:
15.13
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.
4kbo STRESS-70 PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF00012
(HSP70) 		4 PRO A 113
VAL A 110
ARG A 309
PRO A 141
 None
 0.96A 2v41G-4kboA:
undetectable
2v41H-4kboA:
undetectable		 2v41G-4kboA:
21.94
2v41H-4kboA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l9c F-BOX ONLY PROTEIN 7

(Homo sapiens) 		PF11566
(PI31_Prot_N) 		4 THR A 217
PRO A 225
ALA A 221
PRO A 214
 None
 0.94A 2v41G-4l9cA:
undetectable
2v41H-4l9cA:
2.4		 2v41G-4l9cA:
24.15
2v41H-4l9cA:
24.15
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.
4m7g TRYPSIN-LIKE
PROTEASE

(Saccharopolyspora
erythraea) 		PF00089
(Trypsin) 		4 THR A  67
VAL A  55
SER A  56
GLU A  95
 None
 1.05A 2v41G-4m7gA:
undetectable
2v41H-4m7gA:
undetectable		 2v41G-4m7gA:
25.29
2v41H-4m7gA:
25.29
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.
4mif PYRANOSE 2-OXIDASE

(Phanerochaete
chrysosporium) 		PF05199
(GMC_oxred_C) 		4 VAL A 148
SER A 101
ARG A 150
PRO A 506
 None
 1.09A 2v41G-4mifA:
undetectable
2v41H-4mifA:
undetectable		 2v41G-4mifA:
16.40
2v41H-4mifA:
16.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nl4 PRIMOSOME ASSEMBLY
PROTEIN PRIA

(Klebsiella
pneumoniae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 THR H 308
PRO H 309
GLU H 273
ALA H 296
 None
 0.65A 2v41G-4nl4H:
undetectable
2v41H-4nl4H:
undetectable		 2v41G-4nl4H:
15.77
2v41H-4nl4H:
15.77
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.
4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Brucella
melitensis) 		PF01048
(PNP_UDP_1) 		4 THR A 107
VAL A  82
SER A  81
ALA A 139
 None
None
None
PO4  A 502 (-3.5A)
 1.09A 2v41G-4pr3A:
undetectable
2v41H-4pr3A:
undetectable		 2v41G-4pr3A:
22.18
2v41H-4pr3A:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pv4 PROLINE
AMINOPEPTIDASE P II

(Yersinia pestis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		4 THR A 419
VAL A 422
GLU A 405
ARG A 272
 None
None
MG  A 501 ( 2.5A)
None
 1.12A 2v41G-4pv4A:
undetectable
2v41H-4pv4A:
undetectable		 2v41G-4pv4A:
18.88
2v41H-4pv4A:
18.88
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.
4tz5 PUTATIVE SECRETED
PROTEIN

(Streptomyces
sp. SirexAA-E) 		no annotation 4 THR A 260
PRO A 261
VAL A 262
SER A 263
 None
 1.16A 2v41G-4tz5A:
undetectable
2v41H-4tz5A:
undetectable		 2v41G-4tz5A:
18.21
2v41H-4tz5A:
18.21
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.
4uyb SEC14-LIKE PROTEIN 3

(Homo sapiens) 		PF00650
(CRAL_TRIO) 		4 THR A 398
PRO A 399
VAL A 400
GLU A 156
 None
None
None
EDO  A1401 ( 4.4A)
 0.96A 2v41G-4uybA:
undetectable
2v41H-4uybA:
undetectable		 2v41G-4uybA:
19.55
2v41H-4uybA:
19.55
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.
4v19 MITORIBOSOMAL
PROTEIN BL28M,
MRPL28

(Sus scrofa) 		PF00830
(Ribosomal_L28) 		4 THR 1  39
PRO 1  40
VAL 1  41
ARG 1 130
 None
 1.12A 2v41G-4v191:
undetectable
2v41H-4v191:
undetectable		 2v41G-4v191:
20.36
2v41H-4v191:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wsb POLYMERASE PB2

(Influenza A
virus) 		PF00604
(Flu_PB2) 		4 THR C 227
SER C 225
ALA C 250
PRO C 246
 None
 0.95A 2v41G-4wsbC:
undetectable
2v41H-4wsbC:
undetectable		 2v41G-4wsbC:
15.36
2v41H-4wsbC:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yio SUPEROXIDE DISMUTASE

(Streptococcus
thermophilus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 THR A 149
PRO A 150
SER A 152
GLU A  53
PRO A 157
 None
 1.27A 2v41G-4yioA:
undetectable
2v41H-4yioA:
undetectable		 2v41G-4yioA:
21.96
2v41H-4yioA:
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.
4yip SUPEROXIDE DISMUTASE
[MN/FE]

(Streptococcus
mutans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 THR A 149
PRO A 150
SER A 152
GLU A  53
 None
 0.86A 2v41G-4yipA:
undetectable
2v41H-4yipA:
undetectable		 2v41G-4yipA:
24.30
2v41H-4yipA:
24.30
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.
4yyc PUTATIVE
TRIMETHYLAMINE
METHYLTRANSFERASE

(Sinorhizobium
meliloti) 		PF06253
(MTTB) 		4 THR A 288
PRO A 282
VAL A 283
SER A 277
 None
 1.12A 2v41G-4yycA:
undetectable
2v41H-4yycA:
undetectable		 2v41G-4yycA:
18.86
2v41H-4yycA:
18.86
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.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79

(Burkholderia
pseudomallei) 		PF12891
(Glyco_hydro_44) 		4 PRO A 382
VAL A 381
SER A 380
ALA A 353
 None
 1.11A 2v41G-5bwiA:
undetectable
2v41H-5bwiA:
undetectable		 2v41G-5bwiA:
19.18
2v41H-5bwiA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cj5 ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE

(Mycolicibacterium
thermoresistibile) 		PF00128
(Alpha-amylase)
PF11896
(DUF3416) 		4 THR A 107
PRO A 108
VAL A  25
GLU A 589
 None
 0.91A 2v41G-5cj5A:
undetectable
2v41H-5cj5A:
undetectable		 2v41G-5cj5A:
16.69
2v41H-5cj5A:
16.69
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.
5eue PUTATIVE
SPHINGOSINE-1-PHOSPH
ATE LYASE

(Symbiobacterium
thermophilum) 		PF00282
(Pyridoxal_deC) 		4 THR A 218
PRO A 219
GLU A 233
ALA A 229
 None
 1.05A 2v41G-5eueA:
undetectable
2v41H-5eueA:
undetectable		 2v41G-5eueA:
18.85
2v41H-5eueA:
18.85
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.
5f0k VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 35

(Homo sapiens) 		PF03635
(Vps35) 		4 VAL A 295
GLU A 288
ARG A 339
ALA A 287
 None
 1.14A 2v41G-5f0kA:
undetectable
2v41H-5f0kA:
undetectable		 2v41G-5f0kA:
19.12
2v41H-5f0kA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fif CARBOXYLASE

(Deinococcus
radiodurans) 		PF01039
(Carboxyl_trans) 		4 PRO A 445
VAL A 504
SER A 443
GLU A 491
 None
 0.98A 2v41G-5fifA:
undetectable
2v41H-5fifA:
undetectable		 2v41G-5fifA:
16.78
2v41H-5fifA:
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.
5gja 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
OXIDASE 2

(Arabidopsis
thaliana) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 THR A 181
VAL A 235
SER A 234
GLU A 296
 None
 1.15A 2v41G-5gjaA:
undetectable
2v41H-5gjaA:
undetectable		 2v41G-5gjaA:
22.29
2v41H-5gjaA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i6i ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		4 THR A1087
VAL A1259
ALA A1262
PRO A1305
 None
 1.08A 2v41G-5i6iA:
undetectable
2v41H-5i6iA:
undetectable		 2v41G-5i6iA:
7.19
2v41H-5i6iA:
7.19
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.
5j9c PEROXIREDOXIN ASP F3

(Aspergillus
fumigatus) 		PF08534
(Redoxin) 		5 THR A  58
PRO A  59
VAL A  60
SER A  61
ARG A 134
 None
 0.33A 2v41G-5j9cA:
17.5
2v41H-5j9cA:
17.5		 2v41G-5j9cA:
25.00
2v41H-5j9cA:
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 THR A 927
GLU A 896
ARG A 903
PRO A 925
 None
 1.00A 2v41G-5kf7A:
undetectable
2v41H-5kf7A:
undetectable		 2v41G-5kf7A:
12.11
2v41H-5kf7A:
12.11
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.
5lnk MITOCHONDRIAL
COMPLEX I, ND5
SUBUNIT

(Ovis aries) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N)
PF06455
(NADH5_C) 		4 THR L 241
PRO L 242
VAL L 243
SER L 244
 None
 1.00A 2v41G-5lnkL:
undetectable
2v41H-5lnkL:
undetectable		 2v41G-5lnkL:
16.67
2v41H-5lnkL:
16.67
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE KDPC
SUBUNIT

(Escherichia
coli) 		PF02669
(KdpC) 		4 PRO C 117
VAL C 116
SER C 115
ALA C 112
 None
 1.03A 2v41G-5mrwC:
undetectable
2v41H-5mrwC:
undetectable		 2v41G-5mrwC:
27.43
2v41H-5mrwC:
27.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oom 39S RIBOSOMAL
PROTEIN L28,
MITOCHONDRIAL

(Homo sapiens) 		PF00830
(Ribosomal_L28) 		4 THR X  39
PRO X  40
VAL X  41
ARG X 130
 None
 1.06A 2v41G-5oomX:
undetectable
2v41H-5oomX:
undetectable		 2v41G-5oomX:
20.88
2v41H-5oomX:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5osn CAPSID PROTEIN
CAPSID PROTEIN

(Enterovirus E;
Enterovirus E) 		PF00073
(Rhv)
PF00073
(Rhv) 		4 THR C  21
PRO C  22
VAL A 173
SER A 174
 None
 1.10A 2v41G-5osnC:
undetectable
2v41H-5osnC:
undetectable		 2v41G-5osnC:
22.81
2v41H-5osnC:
22.81
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.
5ov6 PORPHOBILINOGEN
DEAMINASE

(Bacillus
megaterium) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		4 PRO A 244
VAL A 243
GLU A 307
PRO A 266
 None
 1.02A 2v41G-5ov6A:
undetectable
2v41H-5ov6A:
undetectable		 2v41G-5ov6A:
20.57
2v41H-5ov6A:
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 THR A 369
PRO A 600
VAL A 599
ALA A 175
 None
 1.16A 2v41G-5t0lA:
undetectable
2v41H-5t0lA:
undetectable		 2v41G-5t0lA:
16.93
2v41H-5t0lA:
16.93
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.
5t3p PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7

(Homo sapiens) 		PF00293
(NUDIX) 		4 THR A 123
PRO A 124
SER A  42
ALA A  87
 None
 0.97A 2v41G-5t3pA:
undetectable
2v41H-5t3pA:
undetectable		 2v41G-5t3pA:
20.08
2v41H-5t3pA:
20.08
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.
5xbq PEROXIREDOXIN

(Pyrococcus
horikoshii) 		no annotation 5 THR A  43
PRO A  44
VAL A  45
ARG A 121
ALA A 140
 OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 3.0A)
OCS  A  46 ( 2.3A)
None
 0.54A 2v41G-5xbqA:
24.5
2v41H-5xbqA:
24.3		 2v41G-5xbqA:
undetectable
2v41H-5xbqA:
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.
5xex POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
aureus) 		no annotation 4 VAL A  40
GLU A  65
ALA A  69
PRO A 126
 None
 1.10A 2v41G-5xexA:
undetectable
2v41H-5xexA:
undetectable		 2v41G-5xexA:
18.72
2v41H-5xexA:
18.72
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF00374
(NiFeSe_Hases) 		4 VAL D 120
SER D 123
ALA D 394
PRO D 312
 None
None
FCO  D 501 (-3.6A)
None
 1.10A 2v41G-5xfaD:
undetectable
2v41H-5xfaD:
undetectable		 2v41G-5xfaD:
19.36
2v41H-5xfaD:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yjj POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
epidermidis) 		no annotation 4 VAL A  40
GLU A  65
ALA A  69
PRO A 126
 None
 1.06A 2v41G-5yjjA:
undetectable
2v41H-5yjjA:
undetectable		 2v41G-5yjjA:
undetectable
2v41H-5yjjA:
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.
5ykd D-HYDANTOINASE/DIHYD
ROPYRIMIDINASE

(Pseudomonas
aeruginosa) 		no annotation 4 THR A 372
GLU A 262
ARG A 345
ALA A 314
 None
 1.16A 2v41G-5ykdA:
undetectable
2v41H-5ykdA:
undetectable		 2v41G-5ykdA:
undetectable
2v41H-5ykdA:
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 4 THR A 249
SER A 227
ALA A 286
PRO A 224
 None
 1.16A 2v41G-6arxA:
undetectable
2v41H-6arxA:
undetectable		 2v41G-6arxA:
undetectable
2v41H-6arxA:
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.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 4 PRO A 403
VAL A 404
SER A 405
ARG A 176
 None
 0.78A 2v41G-6c62A:
undetectable
2v41H-6c62A:
undetectable		 2v41G-6c62A:
undetectable
2v41H-6c62A:
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.
6c66 CRISPR-ASSOCIATED
PROTEIN, CAS5E
FAMILY

(Thermobifida
fusca) 		no annotation 4 THR M  88
PRO M  87
VAL M  86
ALA M  99
 None
 1.15A 2v41G-6c66M:
undetectable
2v41H-6c66M:
undetectable		 2v41G-6c66M:
undetectable
2v41H-6c66M:
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.
6cw5 RIBOKINASE

(Cryptococcus
neoformans) 		no annotation 4 PRO A 314
VAL A 313
SER A 312
ALA A 271
 None
 0.84A 2v41G-6cw5A:
undetectable
2v41H-6cw5A:
undetectable		 2v41G-6cw5A:
undetectable
2v41H-6cw5A:
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.
6gww PEROXIREDOXIN

(Sulfolobus
islandicus) 		no annotation 4 THR A  46
PRO A  47
VAL A  48
ARG A 125
 CSO  A  49 ( 3.3A)
None
CSO  A  49 ( 3.0A)
CSO  A  49 ( 3.1A)
 0.28A 2v41G-6gwwA:
24.4
2v41H-6gwwA:
24.4		 2v41G-6gwwA:
undetectable
2v41H-6gwwA:
undetectable