SIMILAR PATTERNS OF AMINO ACIDS FOR 2VL2_A_BEZA1162_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c7o CYSTALYSIN

(Treponema
denticola) 		PF00155
(Aminotran_1_2) 		5 THR A  68
PRO A  67
GLY A  66
THR A 275
GLY A 277
 None
 1.29A 2vl2A-1c7oA:
0.0
2vl2C-1c7oA:
0.1		 2vl2A-1c7oA:
19.15
2vl2C-1c7oA:
19.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1h4o PEROXIREDOXIN 5

(Homo sapiens) 		PF08534
(Redoxin) 		9 PRO A  40
THR A  44
PRO A  45
GLY A  46
CYH A  47
LEU A 116
PHE A 120
ARG A 127
THR A 147
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.1A)
BEZ  A1162 (-3.3A)
None
None
BEZ  A1162 (-3.7A)
BEZ  A1162 ( 4.0A)
 0.23A 2vl2A-1h4oA:
35.0
2vl2C-1h4oA:
28.6		 2vl2A-1h4oA:
100.00
2vl2C-1h4oA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nm3 PROTEIN HI0572

(Haemophilus
influenzae) 		PF00462
(Glutaredoxin)
PF08534
(Redoxin) 		7 PRO A  42
THR A  46
PRO A  47
CYH A  49
LEU A 118
PHE A 120
ARG A 126
 None
 0.82A 2vl2A-1nm3A:
24.1
2vl2C-1nm3A:
20.6		 2vl2A-1nm3A:
31.86
2vl2C-1nm3A:
31.86
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.
1psq PROBABLE THIOL
PEROXIDASE

(Streptococcus
pneumoniae) 		PF08534
(Redoxin) 		5 PRO A  51
THR A  55
CYH A  58
LEU A   5
ARG A 127
 None
 1.12A 2vl2A-1psqA:
19.6
2vl2C-1psqA:
16.9		 2vl2A-1psqA:
25.56
2vl2C-1psqA:
25.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q33 ADP-RIBOSE
PYROPHOSPHATASE

(Homo sapiens) 		PF00293
(NUDIX) 		5 PRO A 213
GLY A 214
LEU A 253
PHE A 257
GLY A 232
 None
BGC  A 400 (-4.1A)
None
None
None
 1.26A 2vl2A-1q33A:
undetectable
2vl2C-1q33A:
0.0		 2vl2A-1q33A:
22.00
2vl2C-1q33A:
22.00
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.
1q90 CYTOCHROME B6
CYTOCHROME B6-F
COMPLEX SUBUNIT 4

(Chlamydomonas
reinhardtii;
Chlamydomonas
reinhardtii) 		PF00033
(Cytochrome_B)
PF00032
(Cytochrom_B_C) 		5 PRO D   7
PRO B  27
GLY D  28
LEU D  18
GLY D  23
 None
 1.37A 2vl2A-1q90D:
undetectable
2vl2C-1q90D:
undetectable		 2vl2A-1q90D:
21.74
2vl2C-1q90D:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qd1 FORMIMINOTRANSFERASE
-CYCLODEAMINASE

(Sus scrofa) 		PF02971
(FTCD)
PF07837
(FTCD_N) 		5 THR A  30
PRO A  31
GLY A  32
CYH A  33
LEU A  63
 None
 1.06A 2vl2A-1qd1A:
0.1
2vl2C-1qd1A:
0.0		 2vl2A-1qd1A:
22.63
2vl2C-1qd1A:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rh1 COLICIN B

(Escherichia
coli) 		PF01024
(Colicin)
PF03515
(Cloacin) 		5 PRO A 120
GLY A 258
ARG A 119
THR A  18
GLY A  16
 None
 1.42A 2vl2A-1rh1A:
0.0
2vl2C-1rh1A:
undetectable		 2vl2A-1rh1A:
17.12
2vl2C-1rh1A:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s3n HYPOTHETICAL PROTEIN
MJ0936

(Methanocaldococcus
jannaschii) 		PF12850
(Metallophos_2) 		5 PRO A 137
GLY A 138
LEU A 104
THR A 121
GLY A  98
 None
 1.29A 2vl2A-1s3nA:
2.2
2vl2C-1s3nA:
1.9		 2vl2A-1s3nA:
21.74
2vl2C-1s3nA:
21.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tp9 PEROXIREDOXIN

(Populus
trichocarpa) 		PF08534
(Redoxin) 		5 PRO A  44
THR A  48
PRO A  49
CYH A  51
ARG A 129
 None
SO4  A1248 ( 4.6A)
SO4  A1248 (-3.6A)
None
None
 0.20A 2vl2A-1tp9A:
26.7
2vl2C-1tp9A:
21.5		 2vl2A-1tp9A:
40.78
2vl2C-1tp9A:
40.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tp9 PEROXIREDOXIN

(Populus
trichocarpa) 		PF08534
(Redoxin) 		5 THR A  48
PRO A  49
CYH A  51
LEU A 118
ARG A 129
 SO4  A1248 ( 4.6A)
SO4  A1248 (-3.6A)
None
None
None
 0.67A 2vl2A-1tp9A:
26.7
2vl2C-1tp9A:
21.5		 2vl2A-1tp9A:
40.78
2vl2C-1tp9A:
40.78
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.
2a4v PEROXIREDOXIN DOT5

(Saccharomyces
cerevisiae) 		PF00578
(AhpC-TSA) 		5 PRO A 100
THR A 104
PRO A 105
GLY A 106
ARG A 175
 None
 0.60A 2vl2A-2a4vA:
20.2
2vl2C-2a4vA:
17.8		 2vl2A-2a4vA:
26.55
2vl2C-2a4vA:
26.55
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.
2c7l PHYCOERYTHROCYANIN
BETA CHAIN

(Mastigocladus
laminosus) 		PF00502
(Phycobilisome) 		5 THR B 122
PRO B 123
GLY B 124
LEU B  86
GLY B 130
 CYC  B1173 (-3.5A)
None
None
CYC  B1173 (-4.1A)
None
 1.08A 2vl2A-2c7lB:
undetectable
2vl2C-2c7lB:
undetectable		 2vl2A-2c7lB:
22.06
2vl2C-2c7lB:
22.06
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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		5 PRO A  52
THR A  61
GLY A  59
PHE A 757
GLY A 398
 None
 1.41A 2vl2A-2eaeA:
undetectable
2vl2C-2eaeA:
undetectable		 2vl2A-2eaeA:
11.58
2vl2C-2eaeA:
11.58
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.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		5 PRO A 126
THR A  68
GLY A 146
PHE A 128
GLY A 122
 None
 1.35A 2vl2A-2f6dA:
undetectable
2vl2C-2f6dA:
undetectable		 2vl2A-2f6dA:
16.49
2vl2C-2f6dA:
16.49
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.
2gou OXIDOREDUCTASE,
FMN-BINDING

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 THR A  59
PRO A  72
GLY A  73
PHE A 175
GLY A  82
 None
 1.13A 2vl2A-2gouA:
undetectable
2vl2C-2gouA:
undetectable		 2vl2A-2gouA:
19.82
2vl2C-2gouA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q88 PUTATIVE ABC
TRANSPORTER AMINO
ACID-BINDING PROTEIN

(Sinorhizobium
meliloti) 		PF00497
(SBP_bac_3) 		5 PRO A  22
THR A  25
PRO A  38
GLY A  35
GLY A  28
 None
 1.36A 2vl2A-2q88A:
undetectable
2vl2C-2q88A:
undetectable		 2vl2A-2q88A:
25.00
2vl2C-2q88A:
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 THR A1122
PRO A1123
GLY A1512
PHE A1517
THR A1232
 None
 1.38A 2vl2A-2vz9A:
undetectable
2vl2C-2vz9A:
undetectable		 2vl2A-2vz9A:
6.03
2vl2C-2vz9A:
6.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wfc PEROXIREDOXIN 5

(Arenicola
marina) 		PF08534
(Redoxin) 		5 PRO A  67
THR A  71
PRO A  72
GLY A  73
ARG A 152
 None
 0.59A 2vl2A-2wfcA:
31.4
2vl2C-2wfcA:
25.8		 2vl2A-2wfcA:
60.47
2vl2C-2wfcA:
60.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wfc PEROXIREDOXIN 5

(Arenicola
marina) 		PF08534
(Redoxin) 		5 THR A  71
PRO A  72
GLY A  73
LEU A 141
ARG A 152
 None
 0.67A 2vl2A-2wfcA:
31.4
2vl2C-2wfcA:
25.8		 2vl2A-2wfcA:
60.47
2vl2C-2wfcA:
60.47
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.
2y35 LD22664P

(Drosophila
melanogaster) 		PF03159
(XRN_N) 		5 PRO A 173
GLY A  87
LEU A 494
THR A 133
GLY A 135
 None
 1.27A 2vl2A-2y35A:
undetectable
2vl2C-2y35A:
undetectable		 2vl2A-2y35A:
9.71
2vl2C-2y35A:
9.71
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.
2yzh PROBABLE THIOL
PEROXIDASE

(Aquifex
aeolicus) 		PF08534
(Redoxin) 		6 PRO A  54
THR A  58
PRO A  59
CYH A  61
LEU A 126
ARG A 132
 None
 0.98A 2vl2A-2yzhA:
19.2
2vl2C-2yzhA:
16.5		 2vl2A-2yzhA:
23.28
2vl2C-2yzhA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yzh PROBABLE THIOL
PEROXIDASE

(Aquifex
aeolicus) 		PF08534
(Redoxin) 		5 THR A  58
PRO A  59
CYH A  61
ARG A 132
THR A 153
 None
 0.69A 2vl2A-2yzhA:
19.2
2vl2C-2yzhA:
16.5		 2vl2A-2yzhA:
23.28
2vl2C-2yzhA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zt9 CYTOCHROME B6
CYTOCHROME B6-F
COMPLEX SUBUNIT 4

(Nostoc sp. PCC
7120;
Nostoc sp. PCC
7120) 		PF00033
(Cytochrome_B)
PF00032
(Cytochrom_B_C) 		5 PRO B   7
PRO A  27
GLY B  28
LEU B  18
GLY B  23
 None
 1.44A 2vl2A-2zt9B:
undetectable
2vl2C-2zt9B:
undetectable		 2vl2A-2zt9B:
22.11
2vl2C-2zt9B:
22.11
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.
2zwk INTIMIN
PUTATIVE
TRANSLOCATED INTIMIN
RECEPTOR PROTEIN
(TRANSLOCATED
INTIMIN RECEPTOR
TIR)

(Escherichia
coli;
Escherichia
coli) 		PF02368
(Big_2)
PF07979
(Intimin_C)
PF03549
(Tir_receptor_M) 		5 THR A 179
PRO A 180
LEU A 172
THR A 146
GLY B  34
 None
 1.00A 2vl2A-2zwkA:
undetectable
2vl2C-2zwkA:
undetectable		 2vl2A-2zwkA:
21.65
2vl2C-2zwkA:
21.65
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.
3a24 ALPHA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 PRO A 450
THR A 447
GLY A 465
LEU A 212
ARG A 492
 None
 1.48A 2vl2A-3a24A:
undetectable
2vl2C-3a24A:
undetectable		 2vl2A-3a24A:
14.13
2vl2C-3a24A:
14.13
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.
3a5w PROBABLE
PEROXIREDOXIN

(Aeropyrum
pernix) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 PRO A  43
THR A  47
PRO A  48
CYH A  50
ARG A 126
 None
 0.51A 2vl2A-3a5wA:
16.3
2vl2C-3a5wA:
14.0		 2vl2A-3a5wA:
23.60
2vl2C-3a5wA:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bt3 GLYOXALASE-RELATED
ENZYME, ARAC TYPE

(Lachnoclostridium
phytofermentans) 		no annotation 5 THR A 252
GLY A 255
CYH A 256
PHE A 158
THR A 148
 None
 1.16A 2vl2A-3bt3A:
undetectable
2vl2C-3bt3A:
undetectable		 2vl2A-3bt3A:
21.28
2vl2C-3bt3A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3djd FRUCTOSYL AMINE:
OXYGEN
OXIDOREDUCTASE

(Aspergillus
fumigatus) 		PF01266
(DAO) 		5 THR A 234
PRO A 233
ARG A 403
THR A 340
GLY A 361
 None
 1.16A 2vl2A-3djdA:
undetectable
2vl2C-3djdA:
undetectable		 2vl2A-3djdA:
17.81
2vl2C-3djdA:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG

(Sulfolobus
solfataricus) 		PF00578
(AhpC-TSA) 		5 PRO A  38
THR A  42
PRO A  43
GLY A  44
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.7A)
 0.40A 2vl2A-3drnA:
19.4
2vl2C-3drnA:
16.6		 2vl2A-3drnA:
23.63
2vl2C-3drnA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hmu AMINOTRANSFERASE,
CLASS III

(Ruegeria
pomeroyi) 		PF00202
(Aminotran_3) 		5 PRO A 229
THR A 270
GLY A 266
CYH A 265
THR A 276
 None
 1.39A 2vl2A-3hmuA:
undetectable
2vl2C-3hmuA:
undetectable		 2vl2A-3hmuA:
16.03
2vl2C-3hmuA:
16.03
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.
3ixr BACTERIOFERRITIN
COMIGRATORY PROTEIN

(Xylella
fastidiosa) 		PF00578
(AhpC-TSA) 		5 PRO A  40
THR A  44
PRO A  45
GLY A  46
ARG A 122
 None
 0.47A 2vl2A-3ixrA:
18.8
2vl2C-3ixrA:
16.5		 2vl2A-3ixrA:
23.44
2vl2C-3ixrA:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l5o UNCHARACTERIZED
PROTEIN FROM DUF364
FAMILY

(Desulfitobacterium
hafniense) 		PF04016
(DUF364)
PF13938
(DUF4213) 		5 PRO A 201
THR A 203
PRO A 204
CYH A 175
GLY A  37
 EDO  A 307 ( 4.1A)
None
None
None
None
 1.49A 2vl2A-3l5oA:
undetectable
2vl2C-3l5oA:
undetectable		 2vl2A-3l5oA:
23.38
2vl2C-3l5oA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 PRO A  53
THR A  57
CYH A  60
LEU A 123
ARG A 128
 None
 0.83A 2vl2A-3p7xA:
18.9
2vl2C-3p7xA:
16.2		 2vl2A-3p7xA:
27.17
2vl2C-3p7xA:
27.17
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.
3tb2 1-CYS PEROXIREDOXIN

(Plasmodium
yoelii) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 PRO A  40
THR A  44
PRO A  45
CYH A  47
ARG A 129
 GOL  A 223 (-4.3A)
GOL  A 223 ( 4.3A)
GOL  A 223 (-3.6A)
GOL  A 223 (-4.4A)
GOL  A 223 (-4.1A)
 0.56A 2vl2A-3tb2A:
17.4
2vl2C-3tb2A:
15.5		 2vl2A-3tb2A:
20.42
2vl2C-3tb2A:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tr5 PEPTIDE CHAIN
RELEASE FACTOR 3

(Coxiella
burnetii) 		PF00009
(GTP_EFTU)
PF16658
(RF3_C) 		5 PRO A 274
THR A   7
PRO A 357
GLY A 358
GLY A 277
 None
 1.30A 2vl2A-3tr5A:
undetectable
2vl2C-3tr5A:
undetectable		 2vl2A-3tr5A:
17.15
2vl2C-3tr5A:
17.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uma HYPOTHETICAL
PEROXIREDOXIN
PROTEIN

(Sinorhizobium
meliloti) 		PF08534
(Redoxin) 		5 PRO A  42
THR A  46
PRO A  47
CYH A  49
ARG A 127
 None
 0.17A 2vl2A-3umaA:
27.4
2vl2C-3umaA:
22.7		 2vl2A-3umaA:
40.43
2vl2C-3umaA:
40.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2

(Escherichia
coli) 		PF00294
(PfkB) 		5 THR A 300
CYH A 295
LEU A 264
PHE A 278
GLY A  52
 None
 1.35A 2vl2A-3uqeA:
undetectable
2vl2C-3uqeA:
undetectable		 2vl2A-3uqeA:
22.61
2vl2C-3uqeA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v4c ALDEHYDE
DEHYDROGENASE
(NADP+)

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 THR A 169
GLY A 166
LEU A 214
PHE A 212
GLY A 191
 None
 1.49A 2vl2A-3v4cA:
undetectable
2vl2C-3v4cA:
3.1		 2vl2A-3v4cA:
18.04
2vl2C-3v4cA:
18.04
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.
3w0l GLUCOKINASE
REGULATORY PROTEIN

(Xenopus laevis) 		no annotation 5 PRO B 251
GLY B 250
LEU B  21
ARG B  73
GLY B  17
 None
 1.40A 2vl2A-3w0lB:
undetectable
2vl2C-3w0lB:
undetectable		 2vl2A-3w0lB:
16.64
2vl2C-3w0lB:
16.64
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.
4ab4 XENOBIOTIC REDUCTASE
B

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		5 THR A  57
PRO A  70
GLY A  71
PHE A 167
GLY A  80
 None
 1.21A 2vl2A-4ab4A:
undetectable
2vl2C-4ab4A:
undetectable		 2vl2A-4ab4A:
18.87
2vl2C-4ab4A:
18.87
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.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		5 THR A  45
PRO A 254
GLY A 253
THR A 449
GLY A 231
 FAD  A 551 (-3.9A)
None
None
None
None
 1.30A 2vl2A-4c3yA:
undetectable
2vl2C-4c3yA:
undetectable		 2vl2A-4c3yA:
16.07
2vl2C-4c3yA:
16.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ejr MAJOR CAPSID PROTEIN
VP60

(Rabbit
hemorrhagic
disease virus) 		PF00915
(Calici_coat) 		5 PRO A  97
THR A 103
PHE A 221
THR A 181
GLY A 112
 None
 1.43A 2vl2A-4ejrA:
undetectable
2vl2C-4ejrA:
undetectable		 2vl2A-4ejrA:
24.11
2vl2C-4ejrA:
24.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4f82 THIOREDOXIN
REDUCTASE

(Burkholderia
cenocepacia) 		PF08534
(Redoxin) 		5 PRO A  48
THR A  52
PRO A  53
CYH A  55
ARG A 133
 None
 0.25A 2vl2A-4f82A:
27.6
2vl2C-4f82A:
23.0		 2vl2A-4f82A:
43.65
2vl2C-4f82A:
43.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4f82 THIOREDOXIN
REDUCTASE

(Burkholderia
cenocepacia) 		PF08534
(Redoxin) 		5 THR A  52
PRO A  53
CYH A  55
LEU A 122
ARG A 133
 None
 0.76A 2vl2A-4f82A:
27.6
2vl2C-4f82A:
23.0		 2vl2A-4f82A:
43.65
2vl2C-4f82A:
43.65
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.
4jip GTN REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		5 THR A  56
PRO A  69
GLY A  70
PHE A 172
GLY A  79
 None
 1.22A 2vl2A-4jipA:
undetectable
2vl2C-4jipA:
undetectable		 2vl2A-4jipA:
20.05
2vl2C-4jipA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jz2 SUPEROXIDE DISMUTASE

(Clostridioides
difficile) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 THR A 175
PRO A 176
GLY A 158
LEU A  87
GLY A 106
 None
 1.15A 2vl2A-4jz2A:
undetectable
2vl2C-4jz2A:
undetectable		 2vl2A-4jz2A:
20.37
2vl2C-4jz2A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wct FRUCTOSYL
AMINE:OXYGEN
OXIDOREDUCTASE

(Aspergillus
fumigatus) 		PF01266
(DAO) 		5 THR A 239
PRO A 238
ARG A 410
THR A 347
GLY A 368
 None
 1.16A 2vl2A-4wctA:
undetectable
2vl2C-4wctA:
undetectable		 2vl2A-4wctA:
16.67
2vl2C-4wctA:
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.
4y0w YEAZ

(Pseudomonas
aeruginosa) 		PF00814
(Peptidase_M22) 		5 PRO A 186
THR A  11
GLY A  67
LEU A 191
GLY A  63
 NA  A 302 ( 4.7A)
NA  A 302 (-3.2A)
None
None
None
 1.30A 2vl2A-4y0wA:
undetectable
2vl2C-4y0wA:
undetectable		 2vl2A-4y0wA:
25.53
2vl2C-4y0wA:
25.53
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.
4y9v PARTICLE-ASSOCIATED
LYASE

(Acinetobacter
virus AP22) 		no annotation 5 THR A 497
GLY A 476
LEU A 570
PHE A 567
GLY A 537
 None
 1.31A 2vl2A-4y9vA:
undetectable
2vl2C-4y9vA:
undetectable		 2vl2A-4y9vA:
14.22
2vl2C-4y9vA:
14.22
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.
5cb7 OUTER CAPSID PROTEIN
VP4

(Rotavirus A) 		no annotation 5 PRO A 161
THR A 181
PRO A 182
LEU A 164
GLY A 223
 None
 1.43A 2vl2A-5cb7A:
undetectable
2vl2C-5cb7A:
undetectable		 2vl2A-5cb7A:
20.00
2vl2C-5cb7A:
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.
5dxx ARTEMISINIC ALDEHYDE
DELTA(11(13))
REDUCTASE

(Artemisia annua) 		PF00724
(Oxidored_FMN) 		5 THR A  60
PRO A  73
GLY A  74
PHE A 174
GLY A  83
 None
 1.23A 2vl2A-5dxxA:
undetectable
2vl2C-5dxxA:
undetectable		 2vl2A-5dxxA:
18.21
2vl2C-5dxxA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5enu ALKYL HYDROPEROXIDE
REDUCTASE/ THIOL
SPECIFIC
ANTIOXIDANT/ MAL
ALLERGEN

(Burkholderia
ambifaria) 		PF00578
(AhpC-TSA) 		6 PRO A  37
THR A  41
PRO A  42
GLY A  43
CYH A  44
ARG A 119
 None
 0.35A 2vl2A-5enuA:
18.9
2vl2C-5enuA:
16.6		 2vl2A-5enuA:
27.55
2vl2C-5enuA:
27.55
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.
5epd GLYCEROL TRINITRATE
REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		5 THR A  59
PRO A  72
GLY A  73
PHE A 170
GLY A  82
 None
 1.24A 2vl2A-5epdA:
undetectable
2vl2C-5epdA:
undetectable		 2vl2A-5epdA:
20.52
2vl2C-5epdA:
20.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5epf PEROXIREDOXIN

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		5 PRO A  45
PRO A  50
GLY A  51
CYH A  52
ARG A 124
 None
 0.95A 2vl2A-5epfA:
20.9
2vl2C-5epfA:
18.4		 2vl2A-5epfA:
30.37
2vl2C-5epfA:
30.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5epf PEROXIREDOXIN

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		5 PRO A  45
THR A  49
PRO A  50
GLY A  51
ARG A 124
 None
 0.54A 2vl2A-5epfA:
20.9
2vl2C-5epfA:
18.4		 2vl2A-5epfA:
30.37
2vl2C-5epfA:
30.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fac ALANINE RACEMASE

(Streptomyces
coelicolor) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 THR A 289
PRO A 290
GLY A 291
THR A 294
GLY A 339
 None
 1.33A 2vl2A-5facA:
undetectable
2vl2C-5facA:
undetectable		 2vl2A-5facA:
19.13
2vl2C-5facA:
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.
5g5t ARGONAUTE

(Methanocaldococcus
jannaschii) 		PF02171
(Piwi) 		5 PRO A 533
CYH A 518
LEU A 710
PHE A 712
GLY A 708
 None
 1.22A 2vl2A-5g5tA:
undetectable
2vl2C-5g5tA:
undetectable		 2vl2A-5g5tA:
14.62
2vl2C-5g5tA:
14.62
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 PRO A  41
THR A  45
PRO A  46
GLY A  47
CYH A  48
ARG A 123
 None
 0.72A 2vl2A-5ipgA:
18.0
2vl2C-5ipgA:
15.6		 2vl2A-5ipgA:
19.67
2vl2C-5ipgA:
19.67
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.
5jta NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 5 PRO A 271
THR A 217
PRO A 218
GLY A 219
ARG A 224
 None
 1.48A 2vl2A-5jtaA:
undetectable
2vl2C-5jtaA:
undetectable		 2vl2A-5jtaA:
14.58
2vl2C-5jtaA:
14.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5k1g 1-CYS PEROXIREDOXIN

(Vibrio
vulnificus) 		PF08534
(Redoxin) 		5 PRO A  41
THR A  45
PRO A  46
PHE A 117
ARG A 124
 None
 0.88A 2vl2A-5k1gA:
27.7
2vl2C-5k1gA:
23.2		 2vl2A-5k1gA:
40.00
2vl2C-5k1gA:
40.00
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.
5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 THR A  67
PRO A  80
GLY A  81
PHE A 176
GLY A  90
 None
 1.20A 2vl2A-5k1uA:
undetectable
2vl2C-5k1uA:
undetectable		 2vl2A-5k1uA:
20.24
2vl2C-5k1uA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n03 GLUTACONATE
COA-TRANSFERASE
FAMILY, SUBUNIT B

(Myxococcus
xanthus) 		no annotation 5 PRO D  65
PRO D  62
GLY D  79
LEU D  68
GLY D  75
 None
 1.19A 2vl2A-5n03D:
undetectable
2vl2C-5n03D:
undetectable		 2vl2A-5n03D:
21.77
2vl2C-5n03D:
21.77
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.
5o60 50S RIBOSOMAL
PROTEIN L10

(Mycolicibacterium
smegmatis) 		PF00466
(Ribosomal_L10) 		5 THR I  77
LEU I  69
PHE I  73
THR I  23
GLY I 108
 None
 1.39A 2vl2A-5o60I:
undetectable
2vl2C-5o60I:
undetectable		 2vl2A-5o60I:
23.08
2vl2C-5o60I:
23.08