SIMILAR PATTERNS OF AMINO ACIDS FOR 2V41_E_BEZE1222_0

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.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		4 THR A 103
PRO A 104
SER A  30
PRO A 108
 None
 1.08A 2v41E-1c2oA:
undetectable
2v41F-1c2oA:
undetectable		 2v41E-1c2oA:
17.81
2v41F-1c2oA:
17.81
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.
1c8z TUBBY PROTEIN

(Mus musculus) 		PF01167
(Tub) 		4 THR A 428
PRO A 429
VAL A 430
PRO A 381
 None
 1.02A 2v41E-1c8zA:
undetectable
2v41F-1c8zA:
undetectable		 2v41E-1c8zA:
20.88
2v41F-1c8zA:
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.
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans) 		PF00374
(NiFeSe_Hases) 		4 PRO B 498
SER B 506
GLU B 329
ARG B 368
 None
None
MG  B 901 ( 3.9A)
None
 1.03A 2v41E-1e3dB:
undetectable
2v41F-1e3dB:
undetectable		 2v41E-1e3dB:
17.95
2v41F-1e3dB:
17.95
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.
1ek6 UDP-GALACTOSE
4-EPIMERASE

(Homo sapiens) 		PF16363
(GDP_Man_Dehyd) 		4 VAL A 212
SER A 213
GLU A 199
PRO A 205
 None
 1.04A 2v41E-1ek6A:
undetectable
2v41F-1ek6A:
undetectable		 2v41E-1ek6A:
22.78
2v41F-1ek6A:
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.
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
 1.08A 2v41E-1fcpA:
undetectable
2v41F-1fcpA:
undetectable		 2v41E-1fcpA:
16.55
2v41F-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 2v41E-1flgA:
undetectable
2v41F-1flgA:
undetectable		 2v41E-1flgA:
16.18
2v41F-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.
1gy8 UDP-GALACTOSE
4-EPIMERASE

(Trypanosoma
brucei) 		PF01370
(Epimerase) 		4 PRO A 111
VAL A 108
SER A 107
GLU A 175
 None
 1.03A 2v41E-1gy8A:
undetectable
2v41F-1gy8A:
undetectable		 2v41E-1gy8A:
20.65
2v41F-1gy8A:
20.65
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.
1icf PROTEIN (CATHEPSIN
L: HEAVY CHAIN)

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 THR A  14
PRO A  15
VAL A  16
GLU A  50
 None
 1.07A 2v41E-1icfA:
undetectable
2v41F-1icfA:
undetectable		 2v41E-1icfA:
22.78
2v41F-1icfA:
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.
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
 0.89A 2v41E-1iylA:
undetectable
2v41F-1iylA:
undetectable		 2v41E-1iylA:
20.00
2v41F-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.
1keh PRECURSOR OF
CEPHALOSPORIN
ACYLASE

(Brevundimonas
diminuta) 		PF01804
(Penicil_amidase) 		4 THR A 619
PRO A 620
VAL A 621
SER A 610
 None
 1.07A 2v41E-1kehA:
undetectable
2v41F-1kehA:
undetectable		 2v41E-1kehA:
14.37
2v41F-1kehA:
14.37
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.
1kv9 TYPE II
QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		4 THR A 289
PRO A 290
ARG A 365
PRO A 358
 None
 1.04A 2v41E-1kv9A:
undetectable
2v41F-1kv9A:
undetectable		 2v41E-1kv9A:
16.89
2v41F-1kv9A:
16.89
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.
1mb9 BETA-LACTAM
SYNTHETASE

(Streptomyces
clavuligerus) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		4 PRO A 385
VAL A 141
SER A 140
GLU A  78
 None
 1.01A 2v41E-1mb9A:
undetectable
2v41F-1mb9A:
undetectable		 2v41E-1mb9A:
19.84
2v41F-1mb9A:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nd7 WW DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00632
(HECT) 		4 THR A 575
VAL A 571
SER A 572
ARG A 601
 None
 0.93A 2v41E-1nd7A:
undetectable
2v41F-1nd7A:
undetectable		 2v41E-1nd7A:
20.26
2v41F-1nd7A:
20.26
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.
1ulz PYRUVATE CARBOXYLASE
N-TERMINAL DOMAIN

(Aquifex
aeolicus) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 PRO A 297
VAL A 298
SER A 299
GLU A 209
 None
 1.01A 2v41E-1ulzA:
undetectable
2v41F-1ulzA:
undetectable		 2v41E-1ulzA:
18.75
2v41F-1ulzA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ur4 GALACTANASE

(Bacillus
licheniformis) 		PF07745
(Glyco_hydro_53) 		4 THR A 254
VAL A 251
SER A 250
GLU A 217
 None
 0.74A 2v41E-1ur4A:
undetectable
2v41F-1ur4A:
undetectable		 2v41E-1ur4A:
21.04
2v41F-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.
1xmj CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Homo sapiens) 		PF00005
(ABC_tran)
PF14396
(CFTR_R) 		4 THR A 438
PRO A 439
VAL A 440
GLU A 621
 None
None
ATP  A   1 (-4.8A)
None
 0.90A 2v41E-1xmjA:
undetectable
2v41F-1xmjA:
undetectable		 2v41E-1xmjA:
21.73
2v41F-1xmjA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2v41E-1y25A:
16.3
2v41F-1y25A:
16.2		 2v41E-1y25A:
25.11
2v41F-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.
1yya TRIOSEPHOSPHATE
ISOMERASE

(Thermus
thermophilus) 		PF00121
(TIM) 		5 THR A 121
PRO A 122
VAL A 162
GLU A 159
ARG A 206
 None
 1.27A 2v41E-1yyaA:
undetectable
2v41F-1yyaA:
undetectable		 2v41E-1yyaA:
22.61
2v41F-1yyaA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zrz PROTEIN KINASE C,
IOTA

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		4 VAL A 425
SER A 424
GLU A 419
PRO A 413
 None
 1.07A 2v41E-1zrzA:
undetectable
2v41F-1zrzA:
undetectable		 2v41E-1zrzA:
21.31
2v41F-1zrzA:
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.
2a4v PEROXIREDOXIN DOT5

(Saccharomyces
cerevisiae) 		PF00578
(AhpC-TSA) 		4 THR A 104
PRO A 105
SER A 107
ARG A 175
 None
 0.64A 2v41E-2a4vA:
17.9
2v41F-2a4vA:
18.0		 2v41E-2a4vA:
25.32
2v41F-2a4vA:
25.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2amc PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		4 PRO B 340
VAL B 341
SER B 342
GLU B 208
 None
 0.98A 2v41E-2amcB:
undetectable
2v41F-2amcB:
undetectable		 2v41E-2amcB:
13.74
2v41F-2amcB:
13.74
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.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Staphylococcus
aureus) 		PF01425
(Amidase) 		4 THR A 429
PRO A 430
VAL A 431
ARG A 180
 None
 1.01A 2v41E-2f2aA:
undetectable
2v41F-2f2aA:
undetectable		 2v41E-2f2aA:
19.13
2v41F-2f2aA:
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.
2hi0 PUTATIVE
PHOSPHOGLYCOLATE
PHOSPHATASE

(Lactobacillus
delbrueckii) 		PF13419
(HAD_2) 		4 THR A 170
VAL A 174
SER A 171
ARG A 181
 None
ACT  A 243 (-4.7A)
None
None
 1.06A 2v41E-2hi0A:
2.5
2v41F-2hi0A:
2.2		 2v41E-2hi0A:
20.97
2v41F-2hi0A:
20.97
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.
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
 0.94A 2v41E-2o74A:
undetectable
2v41F-2o74A:
undetectable		 2v41E-2o74A:
23.08
2v41F-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.
2p6p GLYCOSYL TRANSFERASE

(Streptomyces
fradiae) 		PF06722
(DUF1205) 		4 THR A 271
PRO A 272
VAL A 275
GLU A 201
 None
 1.00A 2v41E-2p6pA:
undetectable
2v41F-2p6pA:
undetectable		 2v41E-2p6pA:
20.36
2v41F-2p6pA:
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.
2p87 PRE-MRNA-SPLICING
FACTOR PRP8

(Caenorhabditis
elegans) 		PF01398
(JAB)
PF08084
(PROCT) 		4 PRO A2267
VAL A2289
SER A2268
PRO A2142
 None
 0.93A 2v41E-2p87A:
undetectable
2v41F-2p87A:
undetectable		 2v41E-2p87A:
18.06
2v41F-2p87A:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.47A 2v41E-2ri8A:
undetectable
2v41F-2ri8A:
undetectable		 2v41E-2ri8A:
19.08
2v41F-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) 		6 THR A  42
PRO A  43
VAL A  44
SER A  45
GLU A 117
ARG A 128
 BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.7A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.3A)
 0.20A 2v41E-2v41A:
34.5
2v41F-2v41A:
34.7		 2v41E-2v41A:
100.00
2v41F-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.
2vqd BIOTIN CARBOXYLASE

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 PRO A 298
VAL A 299
SER A 300
GLU A 211
 None
 0.98A 2v41E-2vqdA:
undetectable
2v41F-2vqdA:
undetectable		 2v41E-2vqdA:
20.60
2v41F-2vqdA:
20.60
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.
2wfc PEROXIREDOXIN 5

(Arenicola
marina) 		PF08534
(Redoxin) 		4 THR A  71
PRO A  72
SER A  74
ARG A 152
 None
 0.31A 2v41E-2wfcA:
18.2
2v41F-2wfcA:
18.1		 2v41E-2wfcA:
29.71
2v41F-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.
2yia RNA-DIRECTED RNA
POLYMERASE

(Infectious
pancreatic
necrosis virus) 		PF04197
(Birna_RdRp) 		4 THR A 337
VAL A 335
SER A 336
PRO A 239
 None
 1.06A 2v41E-2yiaA:
undetectable
2v41F-2yiaA:
undetectable		 2v41E-2yiaA:
14.27
2v41F-2yiaA:
14.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yib RNA-DIRECTED RNA
POLYMERASE

(Infectious
pancreatic
necrosis virus) 		PF04197
(Birna_RdRp) 		4 THR D 337
VAL D 335
SER D 336
PRO D 239
 None
 1.02A 2v41E-2yibD:
undetectable
2v41F-2yibD:
undetectable		 2v41E-2yibD:
14.77
2v41F-2yibD:
14.77
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.
2yzh PROBABLE THIOL
PEROXIDASE

(Aquifex
aeolicus) 		PF08534
(Redoxin) 		4 THR A  58
PRO A  59
VAL A  60
ARG A 132
 None
 0.56A 2v41E-2yzhA:
15.7
2v41F-2yzhA:
15.6		 2v41E-2yzhA:
25.43
2v41F-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
 0.30A 2v41E-2z9sA:
22.2
2v41F-2z9sA:
22.3		 2v41E-2z9sA:
30.17
2v41F-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
 0.27A 2v41E-3a5wA:
22.4
2v41F-3a5wA:
22.5		 2v41E-3a5wA:
33.20
2v41F-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.
3akf PUTATIVE SECRETED
ALPHA
L-ARABINOFURANOSIDAS
E II

(Streptomyces
avermitilis) 		PF04616
(Glyco_hydro_43)
PF05270
(AbfB) 		4 THR A 127
PRO A 128
VAL A 129
PRO A 177
 None
 0.66A 2v41E-3akfA:
undetectable
2v41F-3akfA:
undetectable		 2v41E-3akfA:
20.97
2v41F-3akfA:
20.97
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.
3d9r KETOSTEROID
ISOMERASE-LIKE
PROTEIN

(Pectobacterium
atrosepticum) 		PF12680
(SnoaL_2) 		4 THR A  65
VAL A  62
SER A  61
ARG A  46
 None
 0.85A 2v41E-3d9rA:
undetectable
2v41F-3d9rA:
undetectable		 2v41E-3d9rA:
21.58
2v41F-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)
 0.56A 2v41E-3drnA:
19.1
2v41F-3drnA:
19.2		 2v41E-3drnA:
27.78
2v41F-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.
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)
 0.53A 2v41E-3hjpA:
20.8
2v41F-3hjpA:
20.8		 2v41E-3hjpA:
26.81
2v41F-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.
3hn0 NITRATE TRANSPORT
PROTEIN

(Parabacteroides
distasonis) 		no annotation 4 THR A 252
PRO A 253
SER A 255
ARG A 258
 None
 0.91A 2v41E-3hn0A:
undetectable
2v41F-3hn0A:
undetectable		 2v41E-3hn0A:
21.58
2v41F-3hn0A:
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.
3huu TRANSCRIPTION
REGULATOR LIKE
PROTEIN

(Staphylococcus
haemolyticus) 		PF13377
(Peripla_BP_3) 		4 THR A 292
VAL A 290
SER A 291
GLU A 288
 None
 1.05A 2v41E-3huuA:
undetectable
2v41F-3huuA:
undetectable		 2v41E-3huuA:
21.36
2v41F-3huuA:
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.
3i4x TRYPTOPHAN
DIMETHYLALLYLTRANSFE
RASE

(Aspergillus
fumigatus) 		PF11991
(Trp_DMAT) 		4 THR A  86
PRO A  87
GLU A 418
PRO A  70
 None
 0.90A 2v41E-3i4xA:
undetectable
2v41F-3i4xA:
undetectable		 2v41E-3i4xA:
17.97
2v41F-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
 0.89A 2v41E-3i9v3:
undetectable
2v41F-3i9v3:
undetectable		 2v41E-3i9v3:
16.09
2v41F-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.
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		4 PRO A 434
SER A 436
GLU A 175
PRO A 204
 None
 0.99A 2v41E-3m1lA:
undetectable
2v41F-3m1lA:
undetectable		 2v41E-3m1lA:
19.50
2v41F-3m1lA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m7a UNCHARACTERIZED
PROTEIN

(Novosphingobium
aromaticivorans) 		PF02643
(DUF192) 		4 PRO A  41
VAL A  42
SER A  43
GLU A  86
 None
 1.05A 2v41E-3m7aA:
undetectable
2v41F-3m7aA:
undetectable		 2v41E-3m7aA:
22.51
2v41F-3m7aA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3myf SENSOR PROTEIN

(Shewanella sp.
W3-18-1) 		PF01627
(Hpt) 		4 THR A 890
PRO A 891
VAL A 892
GLU A 898
 None
 1.00A 2v41E-3myfA:
undetectable
2v41F-3myfA:
undetectable		 2v41E-3myfA:
20.09
2v41F-3myfA:
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.
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 2v41E-3n0tA:
undetectable
2v41F-3n0tA:
undetectable		 2v41E-3n0tA:
19.57
2v41F-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.
3nv3 GALECTIN 9 SHORT
ISOFORM VARIANT

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		4 PRO A 263
SER A 261
GLU A 296
ARG A 247
 None
 1.02A 2v41E-3nv3A:
undetectable
2v41F-3nv3A:
undetectable		 2v41E-3nv3A:
18.80
2v41F-3nv3A:
18.80
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.
3q75 FARNESYLTRANSFERASE
BETA SUBUNIT

(Cryptococcus
neoformans) 		PF00432
(Prenyltrans) 		4 PRO B 429
VAL B 432
SER B 433
ARG B 436
 None
 1.01A 2v41E-3q75B:
undetectable
2v41F-3q75B:
undetectable		 2v41E-3q75B:
16.63
2v41F-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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L

(Escherichia
coli) 		no annotation 4 THR L 247
PRO L 248
VAL L 249
SER L 250
 None
 0.87A 2v41E-3rkoL:
undetectable
2v41F-3rkoL:
undetectable		 2v41E-3rkoL:
15.99
2v41F-3rkoL:
15.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.44A 2v41E-3sbcA:
20.9
2v41F-3sbcA:
21.1		 2v41E-3sbcA:
24.69
2v41F-3sbcA:
24.69
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.
3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE

(Acidithiobacillus
ferrooxidans) 		PF07992
(Pyr_redox_2) 		4 THR A 312
PRO A 313
VAL A 314
GLU A 193
 None
 0.86A 2v41E-3t2yA:
2.2
2v41F-3t2yA:
undetectable		 2v41E-3t2yA:
19.59
2v41F-3t2yA:
19.59
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
GLU A 118
ARG A 129
 GOL  A 223 ( 4.3A)
GOL  A 223 (-3.6A)
GOL  A 223 (-3.7A)
GOL  A 223 (-3.4A)
GOL  A 223 (-4.1A)
 0.56A 2v41E-3tb2A:
30.1
2v41F-3tb2A:
30.0		 2v41E-3tb2A:
45.34
2v41F-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.
3tnx PAPAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 THR A 121
PRO A 122
VAL A 123
GLU A 157
 None
 1.04A 2v41E-3tnxA:
undetectable
2v41F-3tnxA:
undetectable		 2v41E-3tnxA:
23.06
2v41F-3tnxA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u0b OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		4 PRO A 430
SER A 432
GLU A 171
PRO A 200
 None
 1.01A 2v41E-3u0bA:
undetectable
2v41F-3u0bA:
undetectable		 2v41E-3u0bA:
21.56
2v41F-3u0bA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v94 CYCLIC NUCLEOTIDE
SPECIFIC
PHOSPHODIESTERASE

(Trypanosoma
cruzi) 		PF00233
(PDEase_I) 		4 PRO A 427
VAL A 428
SER A 429
PRO A 284
 None
 0.88A 2v41E-3v94A:
undetectable
2v41F-3v94A:
undetectable		 2v41E-3v94A:
20.17
2v41F-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.
4af2 THIOL PEROXIDASE

(Escherichia
coli) 		PF08534
(Redoxin) 		4 THR A  58
VAL A  60
SER A  61
ARG A 133
 None
 0.39A 2v41E-4af2A:
16.6
2v41F-4af2A:
16.5		 2v41E-4af2A:
24.90
2v41F-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.
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
 1.00A 2v41E-4egtA:
undetectable
2v41F-4egtA:
undetectable		 2v41E-4egtA:
22.04
2v41F-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
 0.80A 2v41E-4heaL:
undetectable
2v41F-4heaL:
undetectable		 2v41E-4heaL:
14.52
2v41F-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.
4hn8 D-GLUCARATE
DEHYDRATASE

(Pseudomonas
mendocina) 		PF13378
(MR_MLE_C) 		4 THR A   9
PRO A  10
VAL A  79
SER A  78
 None
 0.99A 2v41E-4hn8A:
undetectable
2v41F-4hn8A:
undetectable		 2v41E-4hn8A:
19.87
2v41F-4hn8A:
19.87
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.
4ixu ARGINASE-2,
MITOCHONDRIAL

(Homo sapiens) 		PF00491
(Arginase) 		4 PRO A 163
VAL A 164
SER A 165
GLU A 205
 None
None
None
38I  A 406 ( 4.0A)
 0.99A 2v41E-4ixuA:
undetectable
2v41F-4ixuA:
undetectable		 2v41E-4ixuA:
20.87
2v41F-4ixuA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kbo STRESS-70 PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF00012
(HSP70) 		4 PRO A 113
VAL A 110
ARG A 309
PRO A 141
 None
 0.97A 2v41E-4kboA:
undetectable
2v41F-4kboA:
undetectable		 2v41E-4kboA:
21.94
2v41F-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.
4kp9 PAPAIN

(Carica papaya) 		PF00112
(Peptidase_C1) 		4 THR A  14
PRO A  15
VAL A  16
GLU A  50
 None
 1.03A 2v41E-4kp9A:
undetectable
2v41F-4kp9A:
undetectable		 2v41E-4kp9A:
22.35
2v41F-4kp9A:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m6t RNA POLYMERASE
II-ASSOCIATED FACTOR
1 HOMOLOG, LINKER,
RNA
POLYMERASE-ASSOCIATE
D PROTEIN LEO1

(Homo sapiens) 		PF03985
(Paf1)
PF04004
(Leo1) 		4 THR A  40
PRO A  41
VAL A  42
SER A 174
 None
SAM  A 201 (-4.7A)
SAM  A 201 (-3.8A)
None
 0.95A 2v41E-4m6tA:
undetectable
2v41F-4m6tA:
undetectable		 2v41E-4m6tA:
24.18
2v41F-4m6tA:
24.18
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.
4m7g TRYPSIN-LIKE
PROTEASE

(Saccharopolyspora
erythraea) 		PF00089
(Trypsin) 		4 THR A  67
VAL A  55
SER A  56
GLU A  95
 None
 1.06A 2v41E-4m7gA:
undetectable
2v41F-4m7gA:
undetectable		 2v41E-4m7gA:
25.29
2v41F-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.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		4 THR A 293
PRO A 294
ARG A 369
PRO A 362
 None
 1.05A 2v41E-4maeA:
undetectable
2v41F-4maeA:
undetectable		 2v41E-4maeA:
17.47
2v41F-4maeA:
17.47
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.
4mif PYRANOSE 2-OXIDASE

(Phanerochaete
chrysosporium) 		PF05199
(GMC_oxred_C) 		4 VAL A 148
SER A 101
ARG A 150
PRO A 506
 None
 1.08A 2v41E-4mifA:
undetectable
2v41F-4mifA:
undetectable		 2v41E-4mifA:
16.40
2v41F-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.
4ncc FAB FRAGMENT HEAVY
FAB FRAGMENT LIGHT

(Mus musculus;
Mus musculus) 		no annotation
no annotation 		4 THR H  61
PRO H  62
SER H  63
PRO L  94
 None
 0.87A 2v41E-4nccH:
undetectable
2v41F-4nccH:
undetectable		 2v41E-4nccH:
20.40
2v41F-4nccH:
20.40
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.
4ru0 PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC
BRANCHED-CHAIN AMINO
ACID-BINDING PROTEIN

(Pseudomonas
protegens) 		PF13458
(Peripla_BP_6) 		4 THR A 244
PRO A 245
VAL A 242
SER A 243
 None
 0.98A 2v41E-4ru0A:
undetectable
2v41F-4ru0A:
undetectable		 2v41E-4ru0A:
18.22
2v41F-4ru0A:
18.22
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.
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)
 0.93A 2v41E-4uybA:
undetectable
2v41F-4uybA:
undetectable		 2v41E-4uybA:
19.55
2v41F-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.
4x1z VP1

(Rabbit
hemorrhagic
disease virus) 		PF00915
(Calici_coat) 		4 THR A 459
PRO A 460
VAL A 267
PRO A 454
 None
 1.02A 2v41E-4x1zA:
undetectable
2v41F-4x1zA:
undetectable		 2v41E-4x1zA:
21.80
2v41F-4x1zA:
21.80
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.
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
 1.22A 2v41E-4yioA:
undetectable
2v41F-4yioA:
undetectable		 2v41E-4yioA:
21.96
2v41F-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
 0.99A 2v41E-4yipA:
undetectable
2v41F-4yipA:
undetectable		 2v41E-4yipA:
24.30
2v41F-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.
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
 1.05A 2v41E-5cj5A:
undetectable
2v41F-5cj5A:
undetectable		 2v41E-5cj5A:
16.69
2v41F-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.
5d3m ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA2

(Lactobacillus
delbrueckii) 		PF00005
(ABC_tran) 		5 THR B  60
PRO B  59
VAL B   8
SER B   9
PRO B  73
 None
 1.48A 2v41E-5d3mB:
undetectable
2v41F-5d3mB:
undetectable		 2v41E-5d3mB:
25.33
2v41F-5d3mB:
25.33
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.
5e43 BETA-LACTAMASE

(Streptosporangium
roseum) 		PF13354
(Beta-lactamase2) 		4 THR A 183
PRO A 184
SER A 186
ARG A 189
 ACT  A 307 (-3.1A)
None
ACT  A 307 (-3.1A)
ACT  A 307 (-3.4A)
 0.84A 2v41E-5e43A:
undetectable
2v41F-5e43A:
undetectable		 2v41E-5e43A:
20.32
2v41F-5e43A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fif CARBOXYLASE

(Deinococcus
radiodurans) 		PF01039
(Carboxyl_trans) 		4 PRO A 445
VAL A 504
SER A 443
GLU A 491
 None
 1.06A 2v41E-5fifA:
undetectable
2v41F-5fifA:
undetectable		 2v41E-5fifA:
16.78
2v41F-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.
5h1k GEM-ASSOCIATED
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		4 THR A 634
VAL A 608
SER A 636
PRO A 631
 None
 1.04A 2v41E-5h1kA:
undetectable
2v41F-5h1kA:
undetectable		 2v41E-5h1kA:
17.39
2v41F-5h1kA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5igu MACROLIDE
2'-PHOSPHOTRANSFERAS
E II

(Escherichia
coli) 		PF01636
(APH) 		4 PRO A 274
VAL A 275
SER A 276
ARG A 162
 None
 0.84A 2v41E-5iguA:
undetectable
2v41F-5iguA:
undetectable		 2v41E-5iguA:
20.79
2v41F-5iguA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.35A 2v41E-5j9cA:
17.4
2v41F-5j9cA:
17.3		 2v41E-5j9cA:
25.00
2v41F-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.
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
 1.02A 2v41E-5lnkL:
undetectable
2v41F-5lnkL:
undetectable		 2v41E-5lnkL:
16.67
2v41F-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.
5mg5 HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Pseudomonas
protegens) 		no annotation 4 THR A 248
PRO A 249
VAL A 246
SER A 247
 None
 1.05A 2v41E-5mg5A:
undetectable
2v41F-5mg5A:
undetectable		 2v41E-5mg5A:
undetectable
2v41F-5mg5A:
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.
5mll DNA PROCESSING CHAIN
A (DPRA)

(Helicobacter
pylori) 		no annotation 4 THR A  55
PRO A  56
SER A  58
GLU A 188
 None
 0.96A 2v41E-5mllA:
undetectable
2v41F-5mllA:
undetectable		 2v41E-5mllA:
undetectable
2v41F-5mllA:
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.
5npx POLYPROTEIN

(Broad bean
stain virus) 		no annotation 4 THR S 430
PRO S 431
VAL S 432
SER S 433
 None
 0.89A 2v41E-5npxS:
undetectable
2v41F-5npxS:
undetectable		 2v41E-5npxS:
undetectable
2v41F-5npxS:
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.
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
 1.05A 2v41E-5oomX:
undetectable
2v41F-5oomX:
undetectable		 2v41E-5oomX:
20.88
2v41F-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
 1.07A 2v41E-5osnC:
undetectable
2v41F-5osnC:
undetectable		 2v41E-5osnC:
22.81
2v41F-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
 1.04A 2v41E-5ov6A:
undetectable
2v41F-5ov6A:
undetectable		 2v41E-5ov6A:
20.57
2v41F-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.
5tzn GLYCOPROTEIN FAMILY
PROTEIN M12

(Murid
betaherpesvirus
1) 		PF12216
(m04gp34like) 		4 THR F 129
PRO F 128
SER F 123
GLU F  91
 None
 1.05A 2v41E-5tznF:
undetectable
2v41F-5tznF:
undetectable		 2v41E-5tznF:
21.22
2v41F-5tznF:
21.22
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.
5wdu ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		no annotation 4 THR G 290
PRO G 291
VAL G 292
GLU G 340
 None
NAG  G 652 (-4.5A)
None
None
 1.07A 2v41E-5wduG:
undetectable
2v41F-5wduG:
undetectable		 2v41E-5wduG:
undetectable
2v41F-5wduG:
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.
5xbq PEROXIREDOXIN

(Pyrococcus
horikoshii) 		no annotation 4 THR A  43
PRO A  44
VAL A  45
ARG A 121
 OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 3.0A)
OCS  A  46 ( 2.3A)
 0.49A 2v41E-5xbqA:
24.2
2v41F-5xbqA:
24.4		 2v41E-5xbqA:
undetectable
2v41F-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.
5xn6 OS07G0580900 PROTEIN
OS02G0668100 PROTEIN

(Oryza sativa;
Oryza sativa) 		PF00348
(polyprenyl_synt)
PF00348
(polyprenyl_synt) 		4 THR C 111
VAL C 115
GLU A 108
PRO C  91
 None
 1.05A 2v41E-5xn6C:
undetectable
2v41F-5xn6C:
undetectable		 2v41E-5xn6C:
19.87
2v41F-5xn6C:
19.87
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.
5yq7 CYTOCHROME SUBUNIT
OF PHOTOSYNTHETIC
REACTION CENTER
PRECURSOR FOR M
SUBUNITS OF
PHOTOSYNTHETIC
REACTION CENTER

(Roseiflexus
castenholzii;
Roseiflexus
castenholzii) 		no annotation
no annotation 		4 THR M 422
PRO M 421
SER M 495
GLU C 221
 None
 0.89A 2v41E-5yq7M:
undetectable
2v41F-5yq7M:
undetectable		 2v41E-5yq7M:
undetectable
2v41F-5yq7M:
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.
6b5v TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5

(Oryctolagus
cuniculus) 		no annotation 4 THR A 311
PRO A 312
VAL A 313
GLU A 309
 None
 0.98A 2v41E-6b5vA:
undetectable
2v41F-6b5vA:
undetectable		 2v41E-6b5vA:
undetectable
2v41F-6b5vA:
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
 0.76A 2v41E-6c62A:
undetectable
2v41F-6c62A:
undetectable		 2v41E-6c62A:
undetectable
2v41F-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.
6cxh PARTICULATE METHANE
MONOOXYGENASE, A
SUBUNIT

(Methylomicrobium
alcaliphilum) 		no annotation 4 PRO B 214
VAL B 215
SER B 216
GLU B 201
 None
 0.93A 2v41E-6cxhB:
undetectable
2v41F-6cxhB:
undetectable		 2v41E-6cxhB:
undetectable
2v41F-6cxhB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 4 THR A 288
PRO A 289
VAL A 290
SER A 291
 None
 0.68A 2v41E-6eu6A:
undetectable
2v41F-6eu6A:
undetectable		 2v41E-6eu6A:
undetectable
2v41F-6eu6A:
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.
6eyu BACTERIORHODOPSIN

(Candidatus
Nanosalina sp.
J07AB43) 		no annotation 4 THR A  81
PRO A  82
VAL A  79
SER A  80
 RET  A 301 (-4.4A)
None
MUN  A 310 ( 4.7A)
RET  A 301 ( 4.2A)
 0.90A 2v41E-6eyuA:
undetectable
2v41F-6eyuA:
undetectable		 2v41E-6eyuA:
undetectable
2v41F-6eyuA:
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.
6f3d INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE 4

(Homo sapiens) 		no annotation 4 THR A 365
PRO A 366
SER A 368
ARG A 444
 SO4  A 501 (-3.3A)
None
None
None
 1.06A 2v41E-6f3dA:
undetectable
2v41F-6f3dA:
undetectable		 2v41E-6f3dA:
undetectable
2v41F-6f3dA:
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.
6g42 MINOR CAPSID PROTEIN

(Cafeteriavirus-dependent
mavirus) 		no annotation 5 PRO A  27
VAL A  28
SER A  29
GLU A 203
PRO A 284
 None
 1.42A 2v41E-6g42A:
undetectable
2v41F-6g42A:
undetectable		 2v41E-6g42A:
undetectable
2v41F-6g42A:
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)
 0.31A 2v41E-6gwwA:
24.3
2v41F-6gwwA:
24.4		 2v41E-6gwwA:
undetectable
2v41F-6gwwA:
undetectable