SIMILAR PATTERNS OF AMINO ACIDS FOR 2V41_D_BEZD1222

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 2v41C-1e3dB:
undetectable
2v41D-1e3dB:
undetectable		 2v41C-1e3dB:
17.95
2v41D-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
 0.89A 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 PRO A 381
THR A 310
PRO A 311
ARG A 388
 None
 0.90A 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)
 0.54A 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.
1inp INOSITOL
POLYPHOSPHATE
1-PHOSPHATASE

(Bos taurus) 		PF00459
(Inositol_P) 		4 PRO A 253
PRO A 235
VAL A 237
SER A 238
 None
 1.00A 2v41C-1inpA:
undetectable
2v41D-1inpA:
undetectable		 2v41C-1inpA:
19.76
2v41D-1inpA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.03A 2v41C-1iylA:
undetectable
2v41D-1iylA:
undetectable		 2v41C-1iylA:
20.00
2v41D-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.
1kv9 TYPE II
QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		4 PRO A 358
THR A 289
PRO A 290
ARG A 365
 None
 1.02A 2v41C-1kv9A:
undetectable
2v41D-1kv9A:
undetectable		 2v41C-1kv9A:
16.89
2v41D-1kv9A:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.95A 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.
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
 0.99A 2v41C-1mb9A:
undetectable
2v41D-1mb9A:
undetectable		 2v41C-1mb9A:
19.84
2v41D-1mb9A:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nd7 WW DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00632
(HECT) 		4 THR A 575
VAL A 571
SER A 572
ARG A 601
 None
 0.93A 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
 0.77A 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)
 0.44A 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
 0.54A 2v41C-1qmvA:
23.5
2v41D-1qmvA:
23.5		 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 PRO A  66
VAL A  99
SER A 100
ARG A 103
 None
 1.02A 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 PRO A 684
THR A 704
PRO A 703
GLU A 473
 None
 0.90A 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
 0.56A 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
 0.79A 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.
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
 1.01A 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.
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.
1zmb ACETYLXYLAN ESTERASE
RELATED ENZYME

(Clostridium
acetobutylicum) 		PF03629
(SASA) 		4 PRO A  50
VAL A  51
SER A  52
GLU A  80
 None
 1.02A 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
 0.68A 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
 0.54A 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
 1.01A 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.
2l7b APOLIPOPROTEIN E

(Homo sapiens) 		PF01442
(Apolipoprotein) 		4 PRO A 267
THR A  83
PRO A  84
VAL A  85
 None
 0.98A 2v41C-2l7bA:
undetectable
2v41D-2l7bA:
undetectable		 2v41C-2l7bA:
21.85
2v41D-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.
2o3b NUCLEASE

(Nostoc sp. PCC
7120) 		PF01223
(Endonuclease_NS) 		4 PRO A  99
THR A 111
PRO A 112
SER A 113
 None
 0.98A 2v41C-2o3bA:
undetectable
2v41D-2o3bA:
undetectable		 2v41C-2o3bA:
23.51
2v41D-2o3bA:
23.51
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.
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
 1.01A 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.
2pwj MITOCHONDRIAL
PEROXIREDOXIN

(Pisum sativum) 		PF08534
(Redoxin) 		4 PRO A  52
THR A  56
VAL A  58
ARG A 137
 None
 0.72A 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.
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
 0.42A 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)
 0.16A 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) 		4 PRO A  67
PRO A  72
SER A  74
ARG A 152
 None
 0.79A 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.
2wfc PEROXIREDOXIN 5

(Arenicola
marina) 		PF08534
(Redoxin) 		4 THR A  71
PRO A  72
SER A  74
ARG A 152
 None
 0.38A 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
 1.03A 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
 0.63A 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
 0.33A 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
 0.35A 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 PRO A 177
THR A 127
PRO A 128
VAL A 129
 None
 0.79A 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)
 0.60A 2v41C-3drnA:
21.7
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
 1.01A 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)
 0.47A 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.
3i4x TRYPTOPHAN
DIMETHYLALLYLTRANSFE
RASE

(Aspergillus
fumigatus) 		PF11991
(Trp_DMAT) 		4 PRO A  70
THR A  86
PRO A  87
GLU A 418
 None
 0.98A 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
 0.58A 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
 0.99A 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.
3klu UNCHARACTERIZED
PROTEIN YQBN

(Bacillus
subtilis) 		PF08890
(Phage_TAC_5) 		4 PRO A 109
VAL A 110
GLU A  60
ARG A  80
 None
 1.00A 2v41C-3kluA:
undetectable
2v41D-3kluA:
undetectable		 2v41C-3kluA:
22.71
2v41D-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.
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.
3mpi GLUTARYL-COA
DEHYDROGENASE

(Desulfococcus
multivorans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 PRO A  57
PRO A 115
VAL A 114
GLU A  59
 None
 1.00A 2v41C-3mpiA:
undetectable
2v41D-3mpiA:
undetectable		 2v41C-3mpiA:
20.79
2v41D-3mpiA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n0t DIPEPTIDYL PEPTIDASE
2

(Homo sapiens) 		PF05577
(Peptidase_S28) 		4 PRO A 275
PRO A 455
VAL A 458
ARG A 462
 None
 0.98A 2v41C-3n0tA:
undetectable
2v41D-3n0tA:
undetectable		 2v41C-3n0tA:
19.57
2v41D-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.
3p7x PROBABLE THIOL
PEROXIDASE

(Staphylococcus
aureus) 		PF08534
(Redoxin) 		4 PRO A  53
THR A  57
VAL A  59
ARG A 128
 None
 0.39A 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
 0.54A 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
 0.54A 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.
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
 0.87A 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)
 0.63A 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  37
PRO A 206
THR A 142
PRO A 143
 None
None
None
SO4  A 336 (-4.4A)
 0.86A 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
 0.54A 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 284
PRO A 427
VAL A 428
SER A 429
 None
 0.86A 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
 0.54A 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
 0.40A 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 PRO A 454
THR A 459
PRO A 460
VAL A 267
 None
 1.00A 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)
 0.35A 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
 0.59A 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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		4 THR A 148
PRO A 149
VAL A 146
SER A 147
 None
 1.03A 2v41C-4gc5A:
undetectable
2v41D-4gc5A:
undetectable		 2v41C-4gc5A:
20.34
2v41D-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
 0.76A 2v41C-4heaL:
undetectable
2v41D-4heaL:
undetectable		 2v41C-4heaL:
14.52
2v41D-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 2v41C-4hn8A:
undetectable
2v41D-4hn8A:
undetectable		 2v41C-4hn8A:
19.87
2v41D-4hn8A:
19.87
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
 0.54A 2v41C-4k1fA:
22.7
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.
4kbo STRESS-70 PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF00012
(HSP70) 		4 PRO A 141
PRO A 113
VAL A 110
ARG A 309
 None
 0.99A 2v41C-4kboA:
undetectable
2v41D-4kboA:
undetectable		 2v41C-4kboA:
21.94
2v41D-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.
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
 0.53A 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.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		4 PRO A  72
THR A  92
PRO A  93
VAL A  94
 None
 0.96A 2v41C-4maeA:
undetectable
2v41D-4maeA:
undetectable		 2v41C-4maeA:
17.47
2v41D-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.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		4 PRO A 362
THR A 293
PRO A 294
ARG A 369
 None
 1.01A 2v41C-4maeA:
undetectable
2v41D-4maeA:
undetectable		 2v41C-4maeA:
17.47
2v41D-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
 0.87A 2v41C-4nccL:
undetectable
2v41D-4nccL:
undetectable		 2v41C-4nccL:
20.72
2v41D-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.
4nt4 GILGAMESH, ISOFORM I

(Drosophila
melanogaster) 		PF00069
(Pkinase) 		4 PRO A 254
THR A 277
PRO A 278
VAL A 281
 None
 1.02A 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
 1.03A 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.
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
 0.84A 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
 0.95A 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.
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)
 1.03A 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 PRO A 157
THR A 149
PRO A 150
SER A 152
GLU A  53
 None
 1.37A 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.
4yip SUPEROXIDE DISMUTASE
[MN/FE]

(Streptococcus
mutans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 THR A 149
PRO A 150
SER A 152
GLU A  53
 None
 0.98A 2v41C-4yipA:
undetectable
2v41D-4yipA:
undetectable		 2v41C-4yipA:
24.30
2v41D-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
 0.90A 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.
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
 0.97A 2v41C-5dpdA:
undetectable
2v41D-5dpdA:
undetectable		 2v41C-5dpdA:
17.58
2v41D-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)
 0.95A 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.
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
 0.97A 2v41C-5h1kA:
undetectable
2v41D-5h1kA:
undetectable		 2v41C-5h1kA:
17.39
2v41D-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.
5ipg BACTERIOFERRITIN
COMIGRATORY PROTEIN

(Xanthomonas
campestris) 		PF00578
(AhpC-TSA) 		4 PRO A  41
THR A  45
PRO A  46
ARG A 123
 None
 0.95A 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
 0.49A 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
 1.00A 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
 0.52A 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
 0.99A 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.
5npx POLYPROTEIN

(Broad bean
stain virus) 		no annotation 4 THR S 430
PRO S 431
VAL S 432
SER S 433
 None
 0.90A 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
 0.91A 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 266
PRO A 244
VAL A 243
GLU A 307
 None
 0.91A 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)
 0.60A 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
 0.55A 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
 0.88A 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
 0.77A 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
 0.83A 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)
 0.88A 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.
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)
 0.22A 2v41C-6gwwA:
26.2
2v41D-6gwwA:
26.5		 2v41C-6gwwA:
undetectable
2v41D-6gwwA:
undetectable