SIMILAR PATTERNS OF AMINO ACIDS FOR 2V41_C_BEZC1218

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.
1fgp FD GENE 3 PROTEIN

(Enterobacteria
phage fd) 		PF05357
(Phage_Coat_A) 		4 PRO A  58
VAL A  57
GLU A  13
PRO A  10
 None
 0.89A 2v41C-1fgpA:
undetectable
2v41D-1fgpA:
undetectable		 2v41C-1fgpA:
13.30
2v41D-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 THR A 310
PRO A 311
ARG A 388
PRO A 381
 None
 0.97A 2v41C-1flgA:
undetectable
2v41D-1flgA:
undetectable		 2v41C-1flgA:
16.18
2v41D-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.
1h4o PEROXIREDOXIN 5

(Homo sapiens) 		PF08534
(Redoxin) 		4 PRO A  40
THR A  44
PRO A  45
ARG A 127
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.7A)
 0.55A 2v41C-1h4oA:
19.6
2v41D-1h4oA:
19.8		 2v41C-1h4oA:
25.86
2v41D-1h4oA:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kw2 VITAMIN D-BINDING
PROTEIN

(Homo sapiens) 		PF00273
(Serum_albumin)
PF09164
(VitD-bind_III) 		4 PRO A 171
THR A 213
SER A 216
GLU A 271
 None
 0.99A 2v41C-1kw2A:
undetectable
2v41D-1kw2A:
undetectable		 2v41C-1kw2A:
19.53
2v41D-1kw2A:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 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 2v41C-1nd7A:
undetectable
2v41D-1nd7A:
undetectable		 2v41C-1nd7A:
20.26
2v41D-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.
1nm3 PROTEIN HI0572

(Haemophilus
influenzae) 		PF00462
(Glutaredoxin)
PF08534
(Redoxin) 		4 PRO A  42
THR A  46
PRO A  47
ARG A 126
 None
 0.69A 2v41C-1nm3A:
16.9
2v41D-1nm3A:
18.2		 2v41C-1nm3A:
26.34
2v41D-1nm3A:
26.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1prx HORF6

(Homo sapiens) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 PRO A  40
THR A  44
PRO A  45
VAL A  46
 CSO  A  47 ( 4.8A)
CSO  A  47 ( 3.6A)
None
CSO  A  47 ( 3.1A)
 0.47A 2v41C-1prxA:
26.8
2v41D-1prxA:
27.2		 2v41C-1prxA:
62.95
2v41D-1prxA:
62.95
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.
1qmv PEROXIREDOXIN-2

(Homo sapiens) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 PRO A  44
THR A  48
VAL A  50
ARG A 127
 None
 0.47A 2v41C-1qmvA:
23.5
2v41D-1qmvA:
23.4		 2v41C-1qmvA:
27.20
2v41D-1qmvA:
27.20
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.
1rh1 COLICIN B

(Escherichia
coli) 		PF01024
(Colicin)
PF03515
(Cloacin) 		4 VAL A  99
SER A 100
ARG A 103
PRO A  66
 None
 0.95A 2v41C-1rh1A:
undetectable
2v41D-1rh1A:
undetectable		 2v41C-1rh1A:
18.45
2v41D-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 THR A 704
PRO A 703
GLU A 473
PRO A 684
 None
 0.98A 2v41C-1rw9A:
undetectable
2v41D-1rw9A:
undetectable		 2v41C-1rw9A:
14.97
2v41D-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.
1tp9 PEROXIREDOXIN

(Populus
trichocarpa) 		PF08534
(Redoxin) 		4 PRO A  44
THR A  48
PRO A  49
ARG A 129
 None
SO4  A1248 ( 4.6A)
SO4  A1248 (-3.6A)
None
 0.55A 2v41C-1tp9A:
19.0
2v41D-1tp9A:
19.3		 2v41C-1tp9A:
27.65
2v41D-1tp9A:
27.65
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.
1ur4 GALACTANASE

(Bacillus
licheniformis) 		PF07745
(Glyco_hydro_53) 		4 THR A 254
VAL A 251
SER A 250
GLU A 217
 None
 0.68A 2v41C-1ur4A:
undetectable
2v41D-1ur4A:
undetectable		 2v41C-1ur4A:
21.04
2v41D-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.
1wyt GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus) 		PF02347
(GDC-P) 		4 PRO B 449
THR B 452
PRO B 453
VAL B 454
 None
 0.83A 2v41C-1wytB:
undetectable
2v41D-1wytB:
undetectable		 2v41C-1wytB:
19.75
2v41D-1wytB:
19.75
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.
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
 0.92A 2v41C-1xmjA:
undetectable
2v41D-1xmjA:
undetectable		 2v41C-1xmjA:
21.73
2v41D-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
 0.93A 2v41C-1xtzA:
undetectable
2v41D-1xtzA:
undetectable		 2v41C-1xtzA:
23.93
2v41D-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) 		6 PRO A  53
THR A  57
PRO A  58
VAL A  59
SER A  60
ARG A 130
 None
ACT  A1200 (-3.6A)
ACT  A1200 (-3.6A)
ACT  A1200 (-3.7A)
ACT  A1200 (-2.8A)
ACT  A1200 (-3.1A)
 0.45A 2v41C-1y25A:
17.3
2v41D-1y25A:
17.4		 2v41C-1y25A:
25.11
2v41D-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.
1yqq XANTHOSINE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		4 THR A 139
VAL A 189
GLU A 201
PRO A 192
 None
 0.98A 2v41C-1yqqA:
undetectable
2v41D-1yqqA:
undetectable		 2v41C-1yqqA:
23.49
2v41D-1yqqA:
23.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zmb ACETYLXYLAN ESTERASE
RELATED ENZYME

(Clostridium
acetobutylicum) 		PF03629
(SASA) 		4 PRO A  50
VAL A  51
SER A  52
GLU A  80
 None
 0.93A 2v41C-1zmbA:
undetectable
2v41D-1zmbA:
undetectable		 2v41C-1zmbA:
21.97
2v41D-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) 		5 PRO A 100
THR A 104
PRO A 105
SER A 107
ARG A 175
 None
 0.66A 2v41C-2a4vA:
20.6
2v41D-2a4vA:
20.6		 2v41C-2a4vA:
25.32
2v41D-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.
2cx4 BACTERIOFERRITIN
COMIGRATORY PROTEIN

(Aeropyrum
pernix) 		PF00578
(AhpC-TSA) 		4 PRO A  42
PRO A  47
VAL A  48
ARG A 122
 None
 0.55A 2v41C-2cx4A:
22.9
2v41D-2cx4A:
23.1		 2v41C-2cx4A:
24.80
2v41D-2cx4A:
24.80
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.
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
 0.99A 2v41C-2f2aA:
undetectable
2v41D-2f2aA:
undetectable		 2v41C-2f2aA:
19.13
2v41D-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.
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
 0.90A 2v41C-2o74A:
undetectable
2v41D-2o74A:
undetectable		 2v41C-2o74A:
23.08
2v41D-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
 0.93A 2v41C-2p6pA:
undetectable
2v41D-2p6pA:
undetectable		 2v41C-2p6pA:
20.36
2v41D-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
 0.95A 2v41C-2p87A:
undetectable
2v41D-2p87A:
undetectable		 2v41C-2p87A:
18.06
2v41D-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.
2pwj MITOCHONDRIAL
PEROXIREDOXIN

(Pisum sativum) 		PF08534
(Redoxin) 		4 PRO A  52
THR A  56
VAL A  58
ARG A 137
 None
 0.69A 2v41C-2pwjA:
17.9
2v41D-2pwjA:
18.4		 2v41C-2pwjA:
22.92
2v41D-2pwjA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qqr JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 3A

(Homo sapiens) 		no annotation 4 PRO A 956
THR A 926
PRO A 982
SER A 980
 None
 0.99A 2v41C-2qqrA:
undetectable
2v41D-2qqrA:
undetectable		 2v41C-2qqrA:
17.95
2v41D-2qqrA:
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.
2r5r UPF0343 PROTEIN
NE1163

(Nitrosomonas
europaea) 		PF02649
(GCHY-1) 		4 PRO A 116
VAL A 117
SER A 118
GLU A 208
 None
 0.99A 2v41C-2r5rA:
undetectable
2v41D-2r5rA:
undetectable		 2v41C-2r5rA:
22.48
2v41D-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
 0.40A 2v41C-2ri8A:
undetectable
2v41D-2ri8A:
undetectable		 2v41C-2ri8A:
19.08
2v41D-2ri8A:
19.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2v41 PEROXIREDOXIN 6.

(Arenicola
marina) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		7 PRO A  38
THR A  42
PRO A  43
VAL A  44
SER A  45
GLU A 117
ARG A 128
 BEZ  A1222 ( 4.6A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.7A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.3A)
 0.24A 2v41C-2v41A:
33.7
2v41D-2v41A:
33.8		 2v41C-2v41A:
100.00
2v41D-2v41A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wfc PEROXIREDOXIN 5

(Arenicola
marina) 		PF08534
(Redoxin) 		5 PRO A  67
THR A  71
PRO A  72
SER A  74
ARG A 152
 None
 0.72A 2v41C-2wfcA:
19.6
2v41D-2wfcA:
19.9		 2v41C-2wfcA:
29.71
2v41D-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.
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus) 		PF13088
(BNR_2) 		4 PRO A 221
THR A 126
PRO A 127
VAL A 128
 None
 0.98A 2v41C-2xziA:
undetectable
2v41D-2xziA:
undetectable		 2v41C-2xziA:
21.46
2v41D-2xziA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yzh PROBABLE THIOL
PEROXIDASE

(Aquifex
aeolicus) 		PF08534
(Redoxin) 		5 PRO A  54
THR A  58
PRO A  59
VAL A  60
ARG A 132
 None
 0.65A 2v41C-2yzhA:
17.4
2v41D-2yzhA:
17.6		 2v41C-2yzhA:
25.43
2v41D-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) 		5 PRO A  45
THR A  49
VAL A  51
SER A  52
ARG A 128
 None
 0.34A 2v41C-2z9sA:
22.8
2v41D-2z9sA:
22.6		 2v41C-2z9sA:
30.17
2v41D-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) 		5 PRO A  43
THR A  47
PRO A  48
VAL A  49
ARG A 126
 None
 0.29A 2v41C-3a5wA:
23.1
2v41D-3a5wA:
23.6		 2v41C-3a5wA:
33.20
2v41D-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
 0.81A 2v41C-3akfA:
undetectable
2v41D-3akfA:
undetectable		 2v41C-3akfA:
20.97
2v41D-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.
3c1o EUGENOL SYNTHASE

(Clarkia breweri) 		PF05368
(NmrA) 		4 PRO A 123
PRO A 260
VAL A 261
SER A 262
 None
 0.79A 2v41C-3c1oA:
undetectable
2v41D-3c1oA:
2.4		 2v41C-3c1oA:
21.36
2v41D-3c1oA:
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.
3d9r KETOSTEROID
ISOMERASE-LIKE
PROTEIN

(Pectobacterium
atrosepticum) 		PF12680
(SnoaL_2) 		4 THR A  65
VAL A  62
SER A  61
ARG A  46
 None
 0.83A 2v41C-3d9rA:
undetectable
2v41D-3d9rA:
undetectable		 2v41C-3d9rA:
21.58
2v41D-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) 		5 PRO A  38
THR A  42
PRO A  43
SER A  45
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.5A)
CIT  A 500 (-3.7A)
 0.59A 2v41C-3drnA:
21.6
2v41D-3drnA:
22.0		 2v41C-3drnA:
27.78
2v41D-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.
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 THR A 462
VAL A 464
SER A 465
GLU A 103
 FAD  A2001 (-3.4A)
None
None
None
 0.93A 2v41C-3e2sA:
undetectable
2v41D-3e2sA:
undetectable		 2v41C-3e2sA:
19.96
2v41D-3e2sA:
19.96
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.
3hjp PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG (BCP-4)

(Sulfolobus
solfataricus) 		PF00578
(AhpC-TSA) 		5 PRO A  38
THR A  42
VAL A  44
SER A  45
ARG A 119
 CL  A 700 ( 4.2A)
CL  A 700 (-3.2A)
None
CL  A 700 (-3.0A)
CL  A 700 (-3.5A)
 0.54A 2v41C-3hjpA:
23.1
2v41D-3hjpA:
23.2		 2v41C-3hjpA:
26.81
2v41D-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
 0.99A 2v41C-3hn0A:
undetectable
2v41D-3hn0A:
undetectable		 2v41C-3hn0A:
21.58
2v41D-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 THR A  86
PRO A  87
GLU A 418
PRO A  70
 None
 0.91A 2v41C-3i4xA:
undetectable
2v41D-3i4xA:
undetectable		 2v41C-3i4xA:
17.97
2v41D-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.
3ixr BACTERIOFERRITIN
COMIGRATORY PROTEIN

(Xylella
fastidiosa) 		PF00578
(AhpC-TSA) 		4 PRO A  40
THR A  44
PRO A  45
ARG A 122
 None
 0.59A 2v41C-3ixrA:
20.6
2v41D-3ixrA:
20.9		 2v41C-3ixrA:
22.57
2v41D-3ixrA:
22.57
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.
3ixr BACTERIOFERRITIN
COMIGRATORY PROTEIN

(Xylella
fastidiosa) 		PF00578
(AhpC-TSA) 		4 PRO A  40
THR A  44
PRO A  45
SER A  47
 None
 0.94A 2v41C-3ixrA:
20.6
2v41D-3ixrA:
20.9		 2v41C-3ixrA:
22.57
2v41D-3ixrA:
22.57
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.
3m7a UNCHARACTERIZED
PROTEIN

(Novosphingobium
aromaticivorans) 		PF02643
(DUF192) 		5 PRO A  41
VAL A  42
SER A  43
GLU A  86
ARG A  79
 None
 1.17A 2v41C-3m7aA:
undetectable
2v41D-3m7aA:
undetectable		 2v41C-3m7aA:
22.51
2v41D-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.
3n2t PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF00248
(Aldo_ket_red) 		4 PRO A 105
THR A 136
PRO A 137
SER A 141
 None
 0.99A 2v41C-3n2tA:
undetectable
2v41D-3n2tA:
undetectable		 2v41C-3n2tA:
21.53
2v41D-3n2tA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.93A 2v41C-3nv3A:
undetectable
2v41D-3nv3A:
undetectable		 2v41C-3nv3A:
18.80
2v41D-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.
3p7x PROBABLE THIOL
PEROXIDASE

(Staphylococcus
aureus) 		PF08534
(Redoxin) 		4 PRO A  53
THR A  57
VAL A  59
ARG A 128
 None
 0.44A 2v41C-3p7xA:
17.6
2v41D-3p7xA:
17.8		 2v41C-3p7xA:
21.58
2v41D-3p7xA:
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.
3qpm PEROXIREDOXIN

(Larimichthys
crocea) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 PRO A 106
THR A 110
VAL A 112
ARG A 189
 None
 0.52A 2v41C-3qpmA:
22.5
2v41D-3qpmA:
22.4		 2v41C-3qpmA:
24.54
2v41D-3qpmA:
24.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L

(Escherichia
coli) 		no annotation 4 THR L 247
PRO L 248
VAL L 249
SER L 250
 None
 0.91A 2v41C-3rkoL:
undetectable
2v41D-3rkoL:
undetectable		 2v41C-3rkoL:
15.99
2v41D-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) 		5 PRO A  40
THR A  44
VAL A  46
SER A  47
ARG A 123
 None
 0.51A 2v41C-3sbcA:
22.3
2v41D-3sbcA:
22.4		 2v41C-3sbcA:
24.69
2v41D-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.
3sno HYPOTHETICAL
AMINOTRANSFERASE

(Corynebacterium
glutamicum) 		PF01063
(Aminotran_4) 		4 THR A 129
PRO A 130
VAL A 131
SER A 107
 None
 0.99A 2v41C-3snoA:
undetectable
2v41D-3snoA:
undetectable		 2v41C-3snoA:
20.67
2v41D-3snoA:
20.67
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.
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
 0.96A 2v41C-3t2yA:
undetectable
2v41D-3t2yA:
3.0		 2v41C-3t2yA:
19.59
2v41D-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) 		6 PRO A  40
THR A  44
PRO A  45
VAL A  46
GLU A 118
ARG A 129
 GOL  A 223 (-4.3A)
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)
 0.61A 2v41C-3tb2A:
30.2
2v41D-3tb2A:
30.1		 2v41C-3tb2A:
45.34
2v41D-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.
3tkr PEROXIREDOXIN-4

(Homo sapiens) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 PRO A  80
THR A  84
VAL A  86
ARG A 163
 None
 0.53A 2v41C-3tkrA:
23.7
2v41D-3tkrA:
23.8		 2v41C-3tkrA:
25.27
2v41D-3tkrA:
25.27
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.
3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE

(Pyrococcus
horikoshii) 		no annotation 4 PRO A 206
THR A 142
PRO A 143
PRO A  37
 None
None
SO4  A 336 (-4.4A)
None
 0.89A 2v41C-3u4gA:
undetectable
2v41D-3u4gA:
undetectable		 2v41C-3u4gA:
23.16
2v41D-3u4gA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uma HYPOTHETICAL
PEROXIREDOXIN
PROTEIN

(Sinorhizobium
meliloti) 		PF08534
(Redoxin) 		4 PRO A  42
THR A  46
PRO A  47
ARG A 127
 None
 0.55A 2v41C-3umaA:
19.3
2v41D-3umaA:
19.7		 2v41C-3umaA:
21.90
2v41D-3umaA:
21.90
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.
3v94 CYCLIC NUCLEOTIDE
SPECIFIC
PHOSPHODIESTERASE

(Trypanosoma
cruzi) 		PF00233
(PDEase_I) 		4 PRO A 427
VAL A 428
SER A 429
PRO A 284
 None
 0.80A 2v41C-3v94A:
undetectable
2v41D-3v94A:
undetectable		 2v41C-3v94A:
20.17
2v41D-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.
3zre THIOL PEROXIDASE

(Yersinia
pseudotuberculosis) 		PF08534
(Redoxin) 		4 PRO A  54
THR A  58
VAL A  60
ARG A 133
 None
 0.58A 2v41C-3zreA:
16.7
2v41D-3zreA:
16.8		 2v41C-3zreA:
23.50
2v41D-3zreA:
23.50
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.
4af2 THIOL PEROXIDASE

(Escherichia
coli) 		PF08534
(Redoxin) 		5 PRO A  54
THR A  58
VAL A  60
SER A  61
ARG A 133
 None
 0.44A 2v41C-4af2A:
18.0
2v41D-4af2A:
18.2		 2v41C-4af2A:
24.90
2v41D-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
 0.98A 2v41C-4egtA:
undetectable
2v41D-4egtA:
undetectable		 2v41C-4egtA:
22.04
2v41D-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.
4eo3 BACTERIOFERRITIN
COMIGRATORY
PROTEIN/NADH
DEHYDROGENASE

(Thermotoga
maritima) 		PF00578
(AhpC-TSA)
PF00881
(Nitroreductase) 		4 PRO A  33
THR A  37
SER A  40
ARG A 103
 None
SO4  A 402 (-3.4A)
SO4  A 402 (-3.6A)
SO4  A 402 (-3.5A)
 0.44A 2v41C-4eo3A:
19.1
2v41D-4eo3A:
19.1		 2v41C-4eo3A:
20.88
2v41D-4eo3A:
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.
4f82 THIOREDOXIN
REDUCTASE

(Burkholderia
cenocepacia) 		PF08534
(Redoxin) 		4 PRO A  48
THR A  52
PRO A  53
ARG A 133
 None
 0.60A 2v41C-4f82A:
19.4
2v41D-4f82A:
19.6		 2v41C-4f82A:
22.22
2v41D-4f82A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.77A 2v41C-4heaL:
undetectable
2v41D-4heaL:
undetectable		 2v41C-4heaL:
14.52
2v41D-4heaL:
14.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k1f TRYPAREDOXIN
PEROXIDASE

(Leishmania
major) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 PRO A  45
THR A  49
VAL A  51
ARG A 128
 None
PGE  A 201 ( 4.1A)
None
None
 0.48A 2v41C-4k1fA:
22.6
2v41D-4k1fA:
22.7		 2v41C-4k1fA:
30.64
2v41D-4k1fA:
30.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4llr TRYPAREDOXIN
PEROXIDASE

(Trypanosoma
cruzi) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 PRO A  45
THR A  49
VAL A  51
ARG A 128
 None
 0.45A 2v41C-4llrA:
23.1
2v41D-4llrA:
23.0		 2v41C-4llrA:
29.31
2v41D-4llrA:
29.31
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.
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 2v41C-4m6tA:
undetectable
2v41D-4m6tA:
undetectable		 2v41C-4m6tA:
24.18
2v41D-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
 0.97A 2v41C-4m7gA:
undetectable
2v41D-4m7gA:
undetectable		 2v41C-4m7gA:
25.29
2v41D-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.
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
 0.85A 2v41C-4nccH:
undetectable
2v41D-4nccH:
undetectable		 2v41C-4nccH:
20.40
2v41D-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.
4nt4 GILGAMESH, ISOFORM I

(Drosophila
melanogaster) 		PF00069
(Pkinase) 		4 PRO A 254
THR A 277
PRO A 278
VAL A 281
 None
 0.96A 2v41C-4nt4A:
undetectable
2v41D-4nt4A:
undetectable		 2v41C-4nt4A:
22.54
2v41D-4nt4A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o8a BIFUNCTIONAL PROTEIN
PUTA

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 THR A 462
VAL A 464
SER A 465
GLU A 103
 FAD  A2001 (-3.3A)
None
None
None
 0.95A 2v41C-4o8aA:
undetectable
2v41D-4o8aA:
undetectable		 2v41C-4o8aA:
16.69
2v41D-4o8aA:
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.
4ope NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 PRO A4236
VAL A4255
GLU A4458
PRO A4259
 None
 0.94A 2v41C-4opeA:
undetectable
2v41D-4opeA:
undetectable		 2v41C-4opeA:
16.87
2v41D-4opeA:
16.87
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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B

(Vibrio cholerae) 		PF03116
(NQR2_RnfD_RnfE) 		4 PRO B 204
PRO B 347
VAL B 348
SER B 349
 None
 0.80A 2v41C-4p6vB:
undetectable
2v41D-4p6vB:
undetectable		 2v41C-4p6vB:
20.10
2v41D-4p6vB:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.91A 2v41C-4ru0A:
undetectable
2v41D-4ru0A:
undetectable		 2v41C-4ru0A:
18.22
2v41D-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.
4twe N-ACETYLATED-ALPHA-L
INKED ACIDIC
DIPEPTIDASE-LIKE
PROTEIN

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 PRO A 262
PRO A 265
SER A 267
GLU A 429
 None
 0.95A 2v41C-4tweA:
undetectable
2v41D-4tweA:
undetectable		 2v41C-4tweA:
15.97
2v41D-4tweA:
15.97
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.
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)
 0.99A 2v41C-4uybA:
undetectable
2v41D-4uybA:
undetectable		 2v41C-4uybA:
19.55
2v41D-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.
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
 1.29A 2v41C-4yioA:
undetectable
2v41D-4yioA:
undetectable		 2v41C-4yioA:
21.96
2v41D-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.
5cj5 ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE

(Mycolicibacterium
thermoresistibile) 		PF00128
(Alpha-amylase)
PF11896
(DUF3416) 		4 THR A 107
PRO A 108
VAL A  25
GLU A 589
 None
 0.98A 2v41C-5cj5A:
undetectable
2v41D-5cj5A:
undetectable		 2v41C-5cj5A:
16.69
2v41D-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
 1.45A 2v41C-5d3mB:
undetectable
2v41D-5d3mB:
undetectable		 2v41C-5d3mB:
25.33
2v41D-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)
 0.88A 2v41C-5e43A:
undetectable
2v41D-5e43A:
undetectable		 2v41C-5e43A:
20.32
2v41D-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.
5enu ALKYL HYDROPEROXIDE
REDUCTASE/ THIOL
SPECIFIC
ANTIOXIDANT/ MAL
ALLERGEN

(Burkholderia
ambifaria) 		PF00578
(AhpC-TSA) 		4 PRO A  37
THR A  41
PRO A  42
ARG A 119
 None
 0.46A 2v41C-5enuA:
21.1
2v41D-5enuA:
21.2		 2v41C-5enuA:
27.15
2v41D-5enuA:
27.15
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.
5epf PEROXIREDOXIN

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		4 PRO A  45
THR A  49
PRO A  50
ARG A 124
 None
 0.70A 2v41C-5epfA:
20.6
2v41D-5epfA:
21.0		 2v41C-5epfA:
21.34
2v41D-5epfA:
21.34
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.
5ipg BACTERIOFERRITIN
COMIGRATORY PROTEIN

(Xanthomonas
campestris) 		PF00578
(AhpC-TSA) 		4 PRO A  41
THR A  45
PRO A  46
ARG A 123
 None
 0.93A 2v41C-5ipgA:
19.4
2v41D-5ipgA:
19.7		 2v41C-5ipgA:
23.97
2v41D-5ipgA:
23.97
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.
5j9c PEROXIREDOXIN ASP F3

(Aspergillus
fumigatus) 		PF08534
(Redoxin) 		6 PRO A  54
THR A  58
PRO A  59
VAL A  60
SER A  61
ARG A 134
 None
 0.61A 2v41C-5j9cA:
18.6
2v41D-5j9cA:
19.1		 2v41C-5j9cA:
25.00
2v41D-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.
5jcg THIOREDOXIN-DEPENDEN
T PEROXIDE
REDUCTASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 PRO A  40
THR A  44
VAL A  46
ARG A 123
 None
 0.40A 2v41C-5jcgA:
22.6
2v41D-5jcgA:
22.5		 2v41C-5jcgA:
25.65
2v41D-5jcgA:
25.65
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.
5jp5 GALECTIN-5

(Rattus
norvegicus) 		PF00337
(Gal-bind_lectin) 		4 PRO A  85
SER A  83
GLU A 118
ARG A  69
 None
 0.88A 2v41C-5jp5A:
undetectable
2v41D-5jp5A:
undetectable		 2v41C-5jp5A:
22.22
2v41D-5jp5A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k1g 1-CYS PEROXIREDOXIN

(Vibrio
vulnificus) 		PF08534
(Redoxin) 		4 PRO A  41
THR A  45
PRO A  46
ARG A 124
 None
 0.51A 2v41C-5k1gA:
19.8
2v41D-5k1gA:
20.2		 2v41C-5k1gA:
28.03
2v41D-5k1gA:
28.03
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.
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
 0.97A 2v41C-5lnkL:
undetectable
2v41D-5lnkL:
undetectable		 2v41C-5lnkL:
16.67
2v41D-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.
5mb9 PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		4 PRO A 358
PRO A 377
SER A 378
PRO A 386
 None
 0.99A 2v41C-5mb9A:
undetectable
2v41D-5mb9A:
undetectable		 2v41C-5mb9A:
17.77
2v41D-5mb9A:
17.77
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.
5npx POLYPROTEIN

(Broad bean
stain virus) 		no annotation 4 THR S 430
PRO S 431
VAL S 432
SER S 433
 None
 0.81A 2v41C-5npxS:
undetectable
2v41D-5npxS:
undetectable		 2v41C-5npxS:
undetectable
2v41D-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.
5o3m PROTOCATECHUATE
DECARBOXYLASE

(Klebsiella
pneumoniae) 		PF01977
(UbiD) 		4 THR A 335
PRO A 334
SER A 338
GLU A 394
 None
 0.95A 2v41C-5o3mA:
undetectable
2v41D-5o3mA:
undetectable		 2v41C-5o3mA:
18.58
2v41D-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.
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
 0.90A 2v41C-5ov6A:
undetectable
2v41D-5ov6A:
undetectable		 2v41C-5ov6A:
20.57
2v41D-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 5 PRO A  39
THR A  43
PRO A  44
VAL A  45
ARG A 121
 OCS  A  46 ( 3.3A)
OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 3.0A)
OCS  A  46 ( 2.3A)
 0.58A 2v41C-5xbqA:
25.9
2v41D-5xbqA:
26.2		 2v41C-5xbqA:
undetectable
2v41D-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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF00374
(NiFeSe_Hases) 		4 PRO D 395
PRO D  84
VAL D  85
SER D  86
 FCO  D 501 ( 3.8A)
None
None
None
 0.49A 2v41C-5xfaD:
undetectable
2v41D-5xfaD:
undetectable		 2v41C-5xfaD:
19.36
2v41D-5xfaD:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.87A 2v41C-5yq7M:
undetectable
2v41D-5yq7M:
undetectable		 2v41C-5yq7M:
undetectable
2v41D-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.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 4 PRO A 403
VAL A 404
SER A 405
ARG A 176
 None
 0.73A 2v41C-6c62A:
undetectable
2v41D-6c62A:
undetectable		 2v41C-6c62A:
undetectable
2v41D-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
 0.77A 2v41C-6eu6A:
undetectable
2v41D-6eu6A:
undetectable		 2v41C-6eu6A:
undetectable
2v41D-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)
 0.86A 2v41C-6eyuA:
undetectable
2v41D-6eyuA:
undetectable		 2v41C-6eyuA:
undetectable
2v41D-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.
6fcx METHYLENETETRAHYDROF
OLATE REDUCTASE

(Homo sapiens) 		no annotation 4 PRO A 577
VAL A 578
SER A 579
PRO A 556
 None
 0.94A 2v41C-6fcxA:
undetectable
2v41D-6fcxA:
undetectable		 2v41C-6fcxA:
undetectable
2v41D-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.
6gww PEROXIREDOXIN

(Sulfolobus
islandicus) 		no annotation 5 PRO A  42
THR A  46
PRO A  47
VAL A  48
ARG A 125
 CSO  A  49 ( 4.0A)
CSO  A  49 ( 3.3A)
None
CSO  A  49 ( 3.0A)
CSO  A  49 ( 3.1A)
 0.26A 2v41C-6gwwA:
26.2
2v41D-6gwwA:
26.5		 2v41C-6gwwA:
undetectable
2v41D-6gwwA:
undetectable