SIMILAR PATTERNS OF AMINO ACIDS FOR 2V41_F_BEZF1222

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.
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
 0.98A 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.
1fgp FD GENE 3 PROTEIN

(Enterobacteria
phage fd) 		PF05357
(Phage_Coat_A) 		4 PRO A  10
PRO A  58
VAL A  57
GLU A  13
 None
 0.93A 2v41E-1fgpA:
undetectable
2v41F-1fgpA:
undetectable		 2v41E-1fgpA:
13.30
2v41F-1fgpA:
13.30
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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 PRO A 381
THR A 310
PRO A 311
ARG A 388
 None
 1.03A 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
 1.07A 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.
1iyl MYRISTOYL-COA:PROTEI
N
N-MYRISTOYLTRANSFERA
SE

(Candida
albicans) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 PRO A 130
THR A 156
PRO A 157
VAL A 158
 None
 0.99A 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.
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
 0.97A 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
 0.91A 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.
1rh1 COLICIN B

(Escherichia
coli) 		PF01024
(Colicin)
PF03515
(Cloacin) 		4 PRO A  66
VAL A  99
SER A 100
ARG A 103
 None
 1.07A 2v41E-1rh1A:
undetectable
2v41F-1rh1A:
undetectable		 2v41E-1rh1A:
18.45
2v41F-1rh1A:
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.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 PRO A 684
THR A 704
PRO A 703
GLU A 473
 None
 0.99A 2v41E-1rw9A:
undetectable
2v41F-1rw9A:
undetectable		 2v41E-1rw9A:
14.97
2v41F-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.
1ur4 GALACTANASE

(Bacillus
licheniformis) 		PF07745
(Glyco_hydro_53) 		4 THR A 254
VAL A 251
SER A 250
GLU A 217
 None
 0.68A 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
 0.91A 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.
1xtz RIBOSE-5-PHOSPHATE
ISOMERASE

(Saccharomyces
cerevisiae) 		PF06026
(Rib_5-P_isom_A) 		4 THR A 134
VAL A 132
SER A 133
GLU A 233
 None
 0.98A 2v41E-1xtzA:
undetectable
2v41F-1xtzA:
undetectable		 2v41E-1xtzA:
23.93
2v41F-1xtzA:
23.93
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.
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)
 0.31A 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.
1zmb ACETYLXYLAN ESTERASE
RELATED ENZYME

(Clostridium
acetobutylicum) 		PF03629
(SASA) 		5 PRO A  50
VAL A  51
SER A  52
GLU A  80
ARG A  16
 None
 1.06A 2v41E-1zmbA:
undetectable
2v41F-1zmbA:
undetectable		 2v41E-1zmbA:
21.97
2v41F-1zmbA:
21.97
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.
2a4v PEROXIREDOXIN DOT5

(Saccharomyces
cerevisiae) 		PF00578
(AhpC-TSA) 		4 THR A 104
PRO A 105
SER A 107
ARG A 175
 None
 0.65A 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
 1.03A 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
 1.02A 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
 1.08A 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.
2ip2 PROBABLE
PHENAZINE-SPECIFIC
METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		4 THR A  82
PRO A  83
SER A  85
GLU A  69
 None
 1.08A 2v41E-2ip2A:
undetectable
2v41F-2ip2A:
undetectable		 2v41E-2ip2A:
20.87
2v41F-2ip2A:
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.
2l7b APOLIPOPROTEIN E

(Homo sapiens) 		PF01442
(Apolipoprotein) 		4 PRO A 267
THR A  83
PRO A  84
VAL A  85
 None
 1.01A 2v41E-2l7bA:
undetectable
2v41F-2l7bA:
undetectable		 2v41E-2l7bA:
21.85
2v41F-2l7bA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.92A 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 A2142
PRO A2267
VAL A2289
SER A2268
 None
 0.98A 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.
2pzf CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Homo sapiens) 		PF00005
(ABC_tran) 		4 THR A 438
PRO A 439
VAL A 440
GLU A 621
 None
None
ATP  A   1 (-4.7A)
None
 1.04A 2v41E-2pzfA:
undetectable
2v41F-2pzfA:
undetectable		 2v41E-2pzfA:
20.75
2v41F-2pzfA:
20.75
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.
2r5r UPF0343 PROTEIN
NE1163

(Nitrosomonas
europaea) 		PF02649
(GCHY-1) 		4 PRO A 116
VAL A 117
SER A 118
GLU A 208
 None
 1.02A 2v41E-2r5rA:
undetectable
2v41F-2r5rA:
undetectable		 2v41E-2r5rA:
22.48
2v41F-2r5rA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.45A 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)
 0.17A 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
 1.08A 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
 0.36A 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 PRO A 239
THR A 337
VAL A 335
SER A 336
 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 PRO D 239
THR D 337
VAL D 335
SER D 336
 None
 1.03A 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
 0.62A 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
 0.34A 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
 0.25A 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 PRO A 177
THR A 127
PRO A 128
VAL A 129
 None
 0.74A 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)
 0.58A 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)
 0.49A 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
 0.93A 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.
3i4x TRYPTOPHAN
DIMETHYLALLYLTRANSFE
RASE

(Aspergillus
fumigatus) 		PF11991
(Trp_DMAT) 		4 PRO A  70
THR A  86
PRO A  87
GLU A 418
 None
 0.96A 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 PRO 3 423
THR 3 430
PRO 3 431
GLU 3 287
 None
 0.97A 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.
3klu UNCHARACTERIZED
PROTEIN YQBN

(Bacillus
subtilis) 		PF08890
(Phage_TAC_5) 		4 PRO A 109
VAL A 110
GLU A  60
ARG A  80
 None
 1.02A 2v41E-3kluA:
undetectable
2v41F-3kluA:
undetectable		 2v41E-3kluA:
22.71
2v41F-3kluA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		4 PRO A 204
PRO A 434
SER A 436
GLU A 175
 None
 1.08A 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) 		5 PRO A  41
VAL A  42
SER A  43
GLU A  86
ARG A  79
 None
 1.20A 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
 1.04A 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 275
PRO A 455
VAL A 458
ARG A 462
 None
 1.03A 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
 0.97A 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.
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
 0.48A 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
 0.88A 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)
 0.67A 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
 1.09A 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.
3v94 CYCLIC NUCLEOTIDE
SPECIFIC
PHOSPHODIESTERASE

(Trypanosoma
cruzi) 		PF00233
(PDEase_I) 		4 PRO A 284
PRO A 427
VAL A 428
SER A 429
 None
 0.79A 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
 0.38A 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 PRO A 454
THR A 459
PRO A 460
VAL A 267
 None
 0.94A 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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		4 THR A 148
PRO A 149
VAL A 146
SER A 147
 None
 1.08A 2v41E-4gc5A:
undetectable
2v41F-4gc5A:
undetectable		 2v41E-4gc5A:
20.34
2v41F-4gc5A:
20.34
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.
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
 0.82A 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
 1.01A 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.
4jmp C-TERMINAL FRAGMENT
OF CAPA, PROTEIN
TYROSINE KINASE

(Staphylococcus
aureus) 		PF01656
(CbiA) 		4 PRO A1051
PRO A1160
VAL A1161
GLU A1190
 None
 1.09A 2v41E-4jmpA:
undetectable
2v41F-4jmpA:
undetectable		 2v41E-4jmpA:
21.72
2v41F-4jmpA:
21.72
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.
4kbo STRESS-70 PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF00012
(HSP70) 		4 PRO A 141
PRO A 113
VAL A 110
ARG A 309
 None
 0.98A 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
 1.08A 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
 0.97A 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
 1.04A 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 PRO A  72
THR A  92
PRO A  93
VAL A  94
 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.
4ncc FAB FRAGMENT HEAVY
FAB FRAGMENT LIGHT

(Mus musculus;
Mus musculus) 		no annotation
no annotation 		4 PRO L  94
THR H  61
PRO H  62
SER H  63
 None
 0.90A 2v41E-4nccL:
undetectable
2v41F-4nccL:
undetectable		 2v41E-4nccL:
20.72
2v41F-4nccL:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.95A 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)
 1.05A 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 PRO A 454
THR A 459
PRO A 460
VAL A 267
 None
 0.97A 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 PRO A 157
THR A 149
PRO A 150
SER A 152
GLU A  53
 None
 1.36A 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
 1.03A 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
 1.01A 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 PRO B  73
THR B  60
PRO B  59
VAL B   8
SER B   9
 None
 1.49A 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.
5dpd PROTEIN LYSINE
METHYLTRANSFERASE 1

(Rickettsia
prowazekii) 		PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31) 		4 THR A 468
PRO A 469
SER A 470
GLU A 110
 None
 1.06A 2v41E-5dpdA:
undetectable
2v41F-5dpdA:
undetectable		 2v41E-5dpdA:
17.58
2v41F-5dpdA:
17.58
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.
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)
 0.82A 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.
5eyy CENTROLOBIUM
TOMENTOSUM LECTIN

(Centrolobium
tomentosum) 		PF00139
(Lectin_legB) 		4 PRO A  81
THR A  42
PRO A  43
VAL A  44
 None
 1.09A 2v41E-5eyyA:
undetectable
2v41F-5eyyA:
undetectable		 2v41E-5eyyA:
24.03
2v41F-5eyyA:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h1k GEM-ASSOCIATED
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		4 PRO A 631
THR A 634
VAL A 608
SER A 636
 None
 0.99A 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.
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 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
 1.03A 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
 1.05A 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.
5mpt CITRININ POLYKETIDE
SYNTHASE

(Monascus
purpureus) 		PF08242
(Methyltransf_12) 		4 PRO A2099
THR A1827
VAL A1831
GLU A1876
 None
 1.06A 2v41E-5mptA:
undetectable
2v41F-5mptA:
2.0		 2v41E-5mptA:
22.41
2v41F-5mptA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5npg LOQUACIOUS, ISOFORM
F

(Drosophila
melanogaster) 		PF00035
(dsrm) 		4 THR A   7
PRO A   8
VAL A   9
SER A  10
 None
 0.82A 2v41E-5npgA:
undetectable
2v41F-5npgA:
undetectable		 2v41E-5npgA:
18.18
2v41F-5npgA:
18.18
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.
5npx POLYPROTEIN

(Broad bean
stain virus) 		no annotation 4 THR S 430
PRO S 431
VAL S 432
SER S 433
 None
 0.87A 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.
5nri D-ALANINE--D-ALANINE
LIGASE

(Burkholderia
pseudomallei) 		no annotation 4 PRO A 271
PRO A 117
GLU A 241
ARG A 248
 None
 1.09A 2v41E-5nriA:
undetectable
2v41F-5nriA:
undetectable		 2v41E-5nriA:
undetectable
2v41F-5nriA:
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.
5o3m PROTOCATECHUATE
DECARBOXYLASE

(Klebsiella
pneumoniae) 		PF01977
(UbiD) 		4 THR A 335
PRO A 334
SER A 338
GLU A 394
 None
 1.00A 2v41E-5o3mA:
undetectable
2v41F-5o3mA:
undetectable		 2v41E-5o3mA:
18.58
2v41F-5o3mA:
18.58
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.
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
 1.06A 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 266
PRO A 244
VAL A 243
GLU A 307
 None
 0.88A 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.
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)
 0.58A 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 PRO C  91
THR C 111
VAL C 115
GLU A 108
 None
 1.00A 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.
5xna SAHS1

(Ramazzottius
varieornatus) 		no annotation 4 PRO A  88
VAL A  87
SER A  86
GLU A  42
 None
 1.05A 2v41E-5xnaA:
undetectable
2v41F-5xnaA:
undetectable		 2v41E-5xnaA:
21.15
2v41F-5xnaA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 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
 0.77A 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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 4 THR A 288
PRO A 289
VAL A 290
SER A 291
 None
 0.71A 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)
 0.85A 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.
6fcx METHYLENETETRAHYDROF
OLATE REDUCTASE

(Homo sapiens) 		no annotation 4 PRO A 556
PRO A 577
VAL A 578
SER A 579
 None
 0.89A 2v41E-6fcxA:
undetectable
2v41F-6fcxA:
undetectable		 2v41E-6fcxA:
undetectable
2v41F-6fcxA:
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.
6fhf -

(-) 		no annotation 4 PRO A 211
PRO A 163
VAL A 161
GLU A 214
 None
 1.05A 2v41E-6fhfA:
undetectable
2v41F-6fhfA:
undetectable		 2v41E-6fhfA:
undetectable
2v41F-6fhfA:
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 4 PRO A  27
VAL A  28
SER A  29
GLU A 203
 None
 1.08A 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