SIMILAR PATTERNS OF AMINO ACIDS FOR 5X2S_I_PEMI202_1

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ch4 MODULE-SUBSTITUTED
CHIMERA HEMOGLOBIN
BETA-ALPHA

(Homo sapiens) 		PF00042
(Globin) 		4 PRO A 100
LYS A 104
THR A 142
TYR A 145
 None
 1.13A 5x2sI-1ch4A:
21.5
5x2sJ-1ch4A:
25.4
5x2sK-1ch4A:
21.6		 5x2sI-1ch4A:
60.81
5x2sJ-1ch4A:
82.19
5x2sK-1ch4A:
60.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ch4 MODULE-SUBSTITUTED
CHIMERA HEMOGLOBIN
BETA-ALPHA

(Homo sapiens) 		PF00042
(Globin) 		4 PRO A 100
THR A 139
THR A 142
TYR A 145
 None
 0.61A 5x2sI-1ch4A:
21.5
5x2sJ-1ch4A:
25.4
5x2sK-1ch4A:
21.6		 5x2sI-1ch4A:
60.81
5x2sJ-1ch4A:
82.19
5x2sK-1ch4A:
60.81
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.
1dl2 CLASS I
ALPHA-1,2-MANNOSIDAS
E

(Saccharomyces
cerevisiae) 		PF01532
(Glyco_hydro_47) 		4 PRO A 237
THR A 260
THR A 179
PRO A 253
 None
 1.23A 5x2sI-1dl2A:
undetectable
5x2sJ-1dl2A:
undetectable
5x2sK-1dl2A:
undetectable		 5x2sI-1dl2A:
13.22
5x2sJ-1dl2A:
13.92
5x2sK-1dl2A:
13.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1faw HEMOGLOBIN (ALPHA
SUBUNIT)

(Anser anser) 		PF00042
(Globin) 		4 PRO A  95
THR A 134
THR A 137
TYR A 140
 None
 0.58A 5x2sI-1fawA:
25.7
5x2sJ-1fawA:
21.7
5x2sK-1fawA:
25.8		 5x2sI-1fawA:
70.92
5x2sJ-1fawA:
36.49
5x2sK-1fawA:
70.92
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.
1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)

(Clostridium
pasteurianum) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C)
PF12838
(Fer4_7)
PF13510
(Fer2_4) 		4 PRO A 510
THR A 380
THR A 381
LYS A 389
 None
 1.26A 5x2sI-1fehA:
undetectable
5x2sJ-1fehA:
undetectable
5x2sK-1fehA:
undetectable		 5x2sI-1fehA:
14.51
5x2sJ-1fehA:
13.63
5x2sK-1fehA:
14.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hds HEMOGLOBIN S (DEOXY)
(ALPHA CHAIN)
HEMOGLOBIN S (DEOXY)
(BETA CHAIN)

(Odocoileus
virginianus) 		PF00042
(Globin) 		5 PRO A  95
THR A 134
THR A 137
TYR A 140
TRP B  36
 None
 0.67A 5x2sI-1hdsA:
23.8
5x2sJ-1hdsA:
19.8
5x2sK-1hdsA:
23.9		 5x2sI-1hdsA:
77.30
5x2sJ-1hdsA:
41.22
5x2sK-1hdsA:
77.30
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.
1hfh FACTOR H, 15TH AND
16TH C-MODULE PAIR

(Homo sapiens) 		PF00084
(Sushi) 		4 PRO A   9
LYS A  54
THR A  48
TYR A  34
 None
 1.04A 5x2sI-1hfhA:
undetectable
5x2sJ-1hfhA:
undetectable
5x2sK-1hfhA:
undetectable		 5x2sI-1hfhA:
19.87
5x2sJ-1hfhA:
18.83
5x2sK-1hfhA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hfh FACTOR H, 15TH AND
16TH C-MODULE PAIR

(Homo sapiens) 		PF00084
(Sushi) 		4 PRO A   9
THR A  49
THR A  48
TYR A  34
 None
 1.31A 5x2sI-1hfhA:
undetectable
5x2sJ-1hfhA:
undetectable
5x2sK-1hfhA:
undetectable		 5x2sI-1hfhA:
19.87
5x2sJ-1hfhA:
18.83
5x2sK-1hfhA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i21 GLUCOSAMINE-PHOSPHAT
E
N-ACETYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF00583
(Acetyltransf_1) 		4 THR A  23
TYR A 106
TRP A  45
PRO A  64
 None
 1.35A 5x2sI-1i21A:
undetectable
5x2sJ-1i21A:
undetectable
5x2sK-1i21A:
undetectable		 5x2sI-1i21A:
18.90
5x2sJ-1i21A:
22.41
5x2sK-1i21A:
18.90
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.
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli) 		PF00476
(DNA_pol_A)
PF01612
(DNA_pol_A_exo1) 		4 PRO A 847
THR A 805
TYR A 801
PRO A 522
 None
 1.26A 5x2sI-1kspA:
undetectable
5x2sJ-1kspA:
undetectable
5x2sK-1kspA:
undetectable		 5x2sI-1kspA:
14.73
5x2sJ-1kspA:
14.72
5x2sK-1kspA:
14.73
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.
1lwu FIBRINOGEN BETA
CHAIN

(Petromyzon
marinus) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		4 PRO B 476
THR B 271
TRP B 423
PRO B 351
 None
 1.23A 5x2sI-1lwuB:
undetectable
5x2sJ-1lwuB:
undetectable
5x2sK-1lwuB:
undetectable		 5x2sI-1lwuB:
16.90
5x2sJ-1lwuB:
18.27
5x2sK-1lwuB:
16.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o1j HEMOGLOBIN ALPHA
CHAIN

(Homo sapiens) 		PF00042
(Globin) 		5 PRO A  95
THR A 134
THR A 137
TYR A 140
PRO A 237
 None
 0.95A 5x2sI-1o1jA:
26.8
5x2sJ-1o1jA:
21.6
5x2sK-1o1jA:
27.5		 5x2sI-1o1jA:
98.58
5x2sJ-1o1jA:
24.48
5x2sK-1o1jA:
98.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o1j HEMOGLOBIN ALPHA
CHAIN

(Homo sapiens) 		PF00042
(Globin) 		4 PRO A 237
THR A 276
THR A 279
PRO A  95
 None
 0.53A 5x2sI-1o1jA:
26.8
5x2sJ-1o1jA:
21.6
5x2sK-1o1jA:
27.5		 5x2sI-1o1jA:
98.58
5x2sJ-1o1jA:
24.48
5x2sK-1o1jA:
98.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o1j HEMOGLOBIN ALPHA
CHAIN

(Homo sapiens) 		PF00042
(Globin) 		4 PRO A 237
THR A 276
THR A 279
TYR A 282
 None
 0.71A 5x2sI-1o1jA:
26.8
5x2sJ-1o1jA:
21.6
5x2sK-1o1jA:
27.5		 5x2sI-1o1jA:
98.58
5x2sJ-1o1jA:
24.48
5x2sK-1o1jA:
98.58
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.
1o2d ALCOHOL
DEHYDROGENASE,
IRON-CONTAINING

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		4 PRO A 172
THR A 136
THR A 175
TYR A 176
 None
NAP  A1800 (-4.0A)
None
None
 1.32A 5x2sI-1o2dA:
undetectable
5x2sJ-1o2dA:
undetectable
5x2sK-1o2dA:
undetectable		 5x2sI-1o2dA:
16.67
5x2sJ-1o2dA:
17.82
5x2sK-1o2dA:
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.
1qb4 PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Escherichia
coli) 		PF00311
(PEPcase) 		4 LYS A 478
THR A 400
THR A 403
TYR A 418
 None
 0.98A 5x2sI-1qb4A:
undetectable
5x2sJ-1qb4A:
undetectable
5x2sK-1qb4A:
undetectable		 5x2sI-1qb4A:
9.86
5x2sJ-1qb4A:
10.42
5x2sK-1qb4A:
9.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpw PORCINE HEMOGLOBIN
(ALPHA SUBUNIT)
PORCINE HEMOGLOBIN
(BETA SUBUNIT)

(Sus scrofa) 		PF00042
(Globin) 		5 PRO A  95
THR A 134
THR A 137
TYR A 140
TRP B  37
 None
 0.47A 5x2sI-1qpwA:
25.8
5x2sJ-1qpwA:
21.1
5x2sK-1qpwA:
26.3		 5x2sI-1qpwA:
84.40
5x2sJ-1qpwA:
41.22
5x2sK-1qpwA:
84.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s0h HEMOGLOBIN ALPHA
CHAIN

(Equus asinus) 		PF00042
(Globin) 		4 PRO A  95
THR A 134
THR A 137
TYR A 140
 None
 0.58A 5x2sI-1s0hA:
24.9
5x2sJ-1s0hA:
20.8
5x2sK-1s0hA:
25.5		 5x2sI-1s0hA:
86.52
5x2sJ-1s0hA:
43.24
5x2sK-1s0hA:
86.52
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.
1uaq CYTOSINE DEAMINASE

(Saccharomyces
cerevisiae) 		PF00383
(dCMP_cyt_deam_1) 		4 LYS A  41
THR A  82
THR A  83
TYR A  85
 None
 1.15A 5x2sI-1uaqA:
undetectable
5x2sJ-1uaqA:
undetectable
5x2sK-1uaqA:
undetectable		 5x2sI-1uaqA:
18.67
5x2sJ-1uaqA:
18.71
5x2sK-1uaqA:
18.67
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.
1vbc POLIOVIRUS TYPE 3

(Enterovirus C) 		PF00073
(Rhv) 		4 THR 3 229
THR 3 228
TYR 3 106
PRO 3  93
 None
 1.02A 5x2sI-1vbc3:
undetectable
5x2sJ-1vbc3:
undetectable
5x2sK-1vbc3:
undetectable		 5x2sI-1vbc3:
19.83
5x2sJ-1vbc3:
20.70
5x2sK-1vbc3:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vff BETA-GLUCOSIDASE

(Pyrococcus
horikoshii) 		PF00232
(Glyco_hydro_1) 		4 PRO A 170
THR A 113
TYR A  32
TRP A 362
 None
 1.12A 5x2sI-1vffA:
undetectable
5x2sJ-1vffA:
undetectable
5x2sK-1vffA:
undetectable		 5x2sI-1vffA:
16.14
5x2sJ-1vffA:
17.75
5x2sK-1vffA:
16.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2b7h HEMOGLOBIN ALPHA
CHAIN
HEMOGLOBIN BETA
CHAIN

(Cerdocyon thous) 		PF00042
(Globin) 		5 PRO A  95
THR A 134
THR A 137
TYR A 140
TRP B  37
 None
 0.62A 5x2sI-2b7hA:
25.7
5x2sJ-2b7hA:
21.9
5x2sK-2b7hA:
26.4		 5x2sI-2b7hA:
82.98
5x2sJ-2b7hA:
43.24
5x2sK-2b7hA:
82.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cdq ASPARTOKINASE

(Arabidopsis
thaliana) 		PF00696
(AA_kinase) 		4 PRO A 298
THR A 236
THR A 239
TYR A 192
 None
 1.35A 5x2sI-2cdqA:
undetectable
5x2sJ-2cdqA:
undetectable
5x2sK-2cdqA:
undetectable		 5x2sI-2cdqA:
17.52
5x2sJ-2cdqA:
16.18
5x2sK-2cdqA:
17.52
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.
2cuj TRANSCRIPTIONAL
ADAPTOR 2-LIKE

(Mus musculus) 		PF04433
(SWIRM) 		4 PRO A  56
THR A  33
THR A  38
PRO A  28
 None
 1.21A 5x2sI-2cujA:
undetectable
5x2sJ-2cujA:
undetectable
5x2sK-2cujA:
undetectable		 5x2sI-2cujA:
19.01
5x2sJ-2cujA:
18.06
5x2sK-2cujA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 PRO A  90
THR A  41
THR A 144
PRO A 164
 None
 1.34A 5x2sI-2fzwA:
undetectable
5x2sJ-2fzwA:
undetectable
5x2sK-2fzwA:
undetectable		 5x2sI-2fzwA:
15.99
5x2sJ-2fzwA:
18.53
5x2sK-2fzwA:
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.
2iun AVIAN ADENOVIRUS
CELO LONG FIBRE

(Fowl
aviadenovirus A) 		PF16812
(AdHead_fibreRBD) 		4 PRO A 657
THR A 681
THR A 682
TYR A 588
 None
 1.33A 5x2sI-2iunA:
undetectable
5x2sJ-2iunA:
undetectable
5x2sK-2iunA:
undetectable		 5x2sI-2iunA:
22.18
5x2sJ-2iunA:
21.57
5x2sK-2iunA:
22.18
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.
2iun AVIAN ADENOVIRUS
CELO LONG FIBRE

(Fowl
aviadenovirus A) 		PF16812
(AdHead_fibreRBD) 		4 PRO A 657
THR A 681
TYR A 588
PRO A 689
 None
 1.15A 5x2sI-2iunA:
undetectable
5x2sJ-2iunA:
undetectable
5x2sK-2iunA:
undetectable		 5x2sI-2iunA:
22.18
5x2sJ-2iunA:
21.57
5x2sK-2iunA:
22.18
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.
2mu4 FLPP3SOL_2

(Francisella
tularensis) 		PF12092
(DUF3568) 		4 LYS A   1
THR A  15
THR A  14
TYR A  12
 None
 1.25A 5x2sI-2mu4A:
undetectable
5x2sJ-2mu4A:
undetectable
5x2sK-2mu4A:
undetectable		 5x2sI-2mu4A:
17.12
5x2sJ-2mu4A:
18.83
5x2sK-2mu4A:
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.
2p0o HYPOTHETICAL PROTEIN
DUF871

(Enterococcus
faecalis) 		PF05913
(DUF871) 		4 PRO A 298
LYS A 325
THR A 331
THR A 301
 None
 1.14A 5x2sI-2p0oA:
undetectable
5x2sJ-2p0oA:
undetectable
5x2sK-2p0oA:
undetectable		 5x2sI-2p0oA:
19.09
5x2sJ-2p0oA:
19.13
5x2sK-2p0oA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q6k CHLORINASE

(Salinispora
tropica) 		PF01887
(SAM_adeno_trans) 		4 LYS A 132
THR A 128
THR A  75
PRO A 124
 None
None
ADN  A 699 (-3.4A)
None
 1.13A 5x2sI-2q6kA:
undetectable
5x2sJ-2q6kA:
undetectable
5x2sK-2q6kA:
undetectable		 5x2sI-2q6kA:
20.49
5x2sJ-2q6kA:
18.73
5x2sK-2q6kA:
20.49
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.
2qn0 NEUROTOXIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 PRO A 223
THR A 384
TYR A 393
PRO A 161
 None
 1.07A 5x2sI-2qn0A:
undetectable
5x2sJ-2qn0A:
undetectable
5x2sK-2qn0A:
undetectable		 5x2sI-2qn0A:
17.42
5x2sJ-2qn0A:
16.22
5x2sK-2qn0A:
17.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r80 HEMOGLOBIN SUBUNIT
ALPHA-A

(Columba livia) 		PF00042
(Globin) 		4 PRO A  95
THR A 134
THR A 137
TYR A 140
 None
 0.65A 5x2sI-2r80A:
24.8
5x2sJ-2r80A:
21.5
5x2sK-2r80A:
25.3		 5x2sI-2r80A:
68.79
5x2sJ-2r80A:
42.28
5x2sK-2r80A:
68.79
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.
2wp0 CHROMOSOMAL
REPLICATION
INITIATOR PROTEIN
DNAA
HOBA

(Helicobacter
pylori) 		PF12163
(HobA)
no annotation 		4 PRO A  78
THR C  56
THR C  57
TYR C  29
 None
 1.09A 5x2sI-2wp0A:
undetectable
5x2sJ-2wp0A:
undetectable
5x2sK-2wp0A:
undetectable		 5x2sI-2wp0A:
22.75
5x2sJ-2wp0A:
21.08
5x2sK-2wp0A:
22.75
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.
2wyo GLUTATHIONE
SYNTHETASE

(Trypanosoma
brucei) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		4 PRO A 353
THR A 361
THR A 146
PRO A 329
 None
 1.30A 5x2sI-2wyoA:
undetectable
5x2sJ-2wyoA:
undetectable
5x2sK-2wyoA:
undetectable		 5x2sI-2wyoA:
14.98
5x2sJ-2wyoA:
15.66
5x2sK-2wyoA:
14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x3g SIRV1 HYPOTHETICAL
PROTEIN ORF119

(Sulfolobus
islandicus
rod-shaped
virus 1) 		no annotation 4 PRO A  85
THR A  22
THR A  23
TYR A  25
 None
 1.30A 5x2sI-2x3gA:
undetectable
5x2sJ-2x3gA:
undetectable
5x2sK-2x3gA:
undetectable		 5x2sI-2x3gA:
19.18
5x2sJ-2x3gA:
18.42
5x2sK-2x3gA:
19.18
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.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 PRO A 302
LYS A 305
THR A 239
TYR A 470
 None
 1.15A 5x2sI-2yd0A:
undetectable
5x2sJ-2yd0A:
undetectable
5x2sK-2yd0A:
undetectable		 5x2sI-2yd0A:
10.30
5x2sJ-2yd0A:
10.69
5x2sK-2yd0A:
10.30
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.
2ymv ACG NITROREDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 4 THR A 274
THR A 277
TRP A  31
PRO A  30
 FNR  A1330 (-3.2A)
None
None
None
 1.11A 5x2sI-2ymvA:
undetectable
5x2sJ-2ymvA:
undetectable
5x2sK-2ymvA:
undetectable		 5x2sI-2ymvA:
19.15
5x2sJ-2ymvA:
19.61
5x2sK-2ymvA:
19.15
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.
2z1q ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 PRO A 120
THR A 192
TYR A 146
PRO A 135
 None
 1.19A 5x2sI-2z1qA:
undetectable
5x2sJ-2z1qA:
undetectable
5x2sK-2z1qA:
undetectable		 5x2sI-2z1qA:
14.21
5x2sJ-2z1qA:
15.76
5x2sK-2z1qA:
14.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3a0g HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA

(Cavia porcellus) 		PF00042
(Globin) 		4 PRO A  95
THR A 134
THR A 137
TRP B  37
 None
 0.63A 5x2sI-3a0gA:
24.8
5x2sJ-3a0gA:
20.8
5x2sK-3a0gA:
25.1		 5x2sI-3a0gA:
75.89
5x2sJ-3a0gA:
38.00
5x2sK-3a0gA:
75.89
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.
3bh1 UPF0371 PROTEIN
DIP2346

(Corynebacterium
diphtheriae) 		PF08903
(DUF1846) 		4 PRO A 425
THR A 414
THR A 417
PRO A 406
 None
 1.35A 5x2sI-3bh1A:
undetectable
5x2sJ-3bh1A:
undetectable
5x2sK-3bh1A:
undetectable		 5x2sI-3bh1A:
16.89
5x2sJ-3bh1A:
15.58
5x2sK-3bh1A:
16.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d1a HEMOGLOBIN SUBUNIT
ALPHA-1/2

(Capra hircus) 		PF00042
(Globin) 		4 PRO A  95
THR A 134
THR A 137
TYR A 140
 None
 0.77A 5x2sI-3d1aA:
26.4
5x2sJ-3d1aA:
21.8
5x2sK-3d1aA:
26.3		 5x2sI-3d1aA:
86.52
5x2sJ-3d1aA:
43.24
5x2sK-3d1aA:
86.52
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.
3d6k PUTATIVE
AMINOTRANSFERASE

(Corynebacterium
diphtheriae) 		PF12897
(Aminotran_MocR) 		4 PRO A 342
THR A 189
THR A 340
TRP A 215
 None
 1.36A 5x2sI-3d6kA:
undetectable
5x2sJ-3d6kA:
undetectable
5x2sK-3d6kA:
undetectable		 5x2sI-3d6kA:
18.42
5x2sJ-3d6kA:
17.26
5x2sK-3d6kA:
18.42
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.
3dqq PUTATIVE TRNA
SYNTHASE

(Salmonella
enterica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		4 PRO A 387
LYS A 401
THR A  12
THR A  15
 None
 1.20A 5x2sI-3dqqA:
undetectable
5x2sJ-3dqqA:
undetectable
5x2sK-3dqqA:
undetectable		 5x2sI-3dqqA:
20.20
5x2sJ-3dqqA:
15.96
5x2sK-3dqqA:
20.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gdj HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA

(Camelus
dromedarius) 		PF00042
(Globin) 		5 PRO A  95
THR A 134
THR A 137
TYR A 140
TRP B  37
 None
 0.70A 5x2sI-3gdjA:
26.0
5x2sJ-3gdjA:
21.7
5x2sK-3gdjA:
25.8		 5x2sI-3gdjA:
84.40
5x2sJ-3gdjA:
42.95
5x2sK-3gdjA:
84.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gqp HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA-A/B

(Felis catus) 		PF00042
(Globin) 		5 PRO A  95
THR A 134
THR A 137
TYR A 140
TRP B  37
 None
 0.47A 5x2sI-3gqpA:
25.3
5x2sJ-3gqpA:
21.1
5x2sK-3gqpA:
25.9		 5x2sI-3gqpA:
85.11
5x2sJ-3gqpA:
41.89
5x2sK-3gqpA:
85.11
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB11

(Schizosaccharomyces
pombe) 		PF13656
(RNA_pol_L_2) 		4 PRO K  16
LYS K  36
THR K  33
THR K  19
 None
 1.30A 5x2sI-3h0gK:
undetectable
5x2sJ-3h0gK:
undetectable
5x2sK-3h0gK:
undetectable		 5x2sI-3h0gK:
22.93
5x2sJ-3h0gK:
19.87
5x2sK-3h0gK:
22.93
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.
3kin KINESIN HEAVY CHAIN

(Rattus
norvegicus) 		PF00225
(Kinesin) 		4 THR B 314
THR B 317
TYR A  85
PRO A  55
 None
 1.34A 5x2sI-3kinB:
undetectable
5x2sJ-3kinB:
undetectable
5x2sK-3kinB:
undetectable		 5x2sI-3kinB:
20.55
5x2sJ-3kinB:
19.18
5x2sK-3kinB:
20.55
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.
3ksm ABC-TYPE SUGAR
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Hahella
chejuensis) 		PF13407
(Peripla_BP_4) 		4 THR A 143
THR A 307
TYR A 283
PRO A 105
 None
 1.26A 5x2sI-3ksmA:
undetectable
5x2sJ-3ksmA:
undetectable
5x2sK-3ksmA:
undetectable		 5x2sI-3ksmA:
18.84
5x2sJ-3ksmA:
22.02
5x2sK-3ksmA:
18.84
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.
3la9 HAEMAGGLUTININ
FAMILY PROTEIN

(Burkholderia
pseudomallei) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		4 PRO A  34
THR A  13
THR A  16
TYR A  32
 None
 1.36A 5x2sI-3la9A:
undetectable
5x2sJ-3la9A:
undetectable
5x2sK-3la9A:
undetectable		 5x2sI-3la9A:
20.41
5x2sJ-3la9A:
19.32
5x2sK-3la9A:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lgs 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASES

(Arabidopsis
thaliana) 		PF01048
(PNP_UDP_1) 		4 PRO A  55
LYS A  58
THR A  52
THR A  51
 None
 1.28A 5x2sI-3lgsA:
undetectable
5x2sJ-3lgsA:
undetectable
5x2sK-3lgsA:
undetectable		 5x2sI-3lgsA:
20.99
5x2sJ-3lgsA:
21.72
5x2sK-3lgsA:
20.99
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.
3mde MEDIUM CHAIN
ACYL-COA
DEHYDROGENASE

(Sus scrofa) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 LYS A 211
THR A 168
TYR A 176
PRO A  49
 None
FAD  A 399 (-4.0A)
None
None
 0.96A 5x2sI-3mdeA:
undetectable
5x2sJ-3mdeA:
undetectable
5x2sK-3mdeA:
undetectable		 5x2sI-3mdeA:
15.28
5x2sJ-3mdeA:
18.18
5x2sK-3mdeA:
15.28
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.
3mj8 STIMULATORY HAMSTER
ANTIBODY HL4E10 FAB
HEAVY CHAIN
STIMULATORY HAMSTER
ANTIBODY HL4E10 FAB
LIGHT CHAIN

(Cricetulus
migratorius) 		no annotation 4 PRO H 175
THR L 161
THR L 162
PRO L 113
 None
 1.25A 5x2sI-3mj8H:
undetectable
5x2sJ-3mj8H:
undetectable
5x2sK-3mj8H:
undetectable		 5x2sI-3mj8H:
22.27
5x2sJ-3mj8H:
21.23
5x2sK-3mj8H:
22.27
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.
3q41 GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
ZETA-1

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 PRO A 104
THR A 122
THR A 123
TYR A 128
 None
 1.35A 5x2sI-3q41A:
undetectable
5x2sJ-3q41A:
undetectable
5x2sK-3q41A:
undetectable		 5x2sI-3q41A:
17.16
5x2sJ-3q41A:
15.18
5x2sK-3q41A:
17.16
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.
3ugg SUCROSE:(SUCROSE/FRU
CTAN)
6-FRUCTOSYLTRANSFERA
SE

(Pachysandra
terminalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 PRO A 142
THR A 109
TYR A  86
PRO A 147
 None
 1.35A 5x2sI-3uggA:
undetectable
5x2sJ-3uggA:
undetectable
5x2sK-3uggA:
undetectable		 5x2sI-3uggA:
11.72
5x2sJ-3uggA:
15.16
5x2sK-3uggA:
11.72
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.
3uor ABC TRANSPORTER
SUGAR BINDING
PROTEIN

(Xanthomonas
citri) 		PF13416
(SBP_bac_8) 		4 PRO A 137
THR A 126
TRP A 265
PRO A 264
 None
 1.22A 5x2sI-3uorA:
undetectable
5x2sJ-3uorA:
undetectable
5x2sK-3uorA:
undetectable		 5x2sI-3uorA:
15.94
5x2sJ-3uorA:
14.91
5x2sK-3uorA:
15.94
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.
3vbe BETA-CYANOALNINE
SYNTHASE

(Glycine max) 		PF00291
(PALP) 		4 LYS A 109
THR A 104
TYR A 140
PRO A 200
 None
 1.28A 5x2sI-3vbeA:
undetectable
5x2sJ-3vbeA:
undetectable
5x2sK-3vbeA:
undetectable		 5x2sI-3vbeA:
17.96
5x2sJ-3vbeA:
17.73
5x2sK-3vbeA:
17.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vre HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA/DELTA HYBRID

(Mammuthus
primigenius) 		PF00042
(Globin) 		5 PRO A  95
THR A 134
THR A 137
TYR A 140
TRP B  37
 None
 0.89A 5x2sI-3vreA:
26.4
5x2sJ-3vreA:
21.4
5x2sK-3vreA:
27.3		 5x2sI-3vreA:
82.98
5x2sJ-3vreA:
40.94
5x2sK-3vreA:
82.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vta CUCUMISIN

(Cucumis melo) 		PF00082
(Peptidase_S8) 		4 PRO A 543
THR A 536
TRP A 162
PRO A 159
 None
 1.03A 5x2sI-3vtaA:
undetectable
5x2sJ-3vtaA:
undetectable
5x2sK-3vtaA:
undetectable		 5x2sI-3vtaA:
15.07
5x2sJ-3vtaA:
13.19
5x2sK-3vtaA:
15.07
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.
3zxl HIAXHD3

(Humicola
insolens) 		PF04616
(Glyco_hydro_43) 		4 THR A 501
THR A 502
TYR A 504
PRO A 403
 None
 1.27A 5x2sI-3zxlA:
undetectable
5x2sJ-3zxlA:
undetectable
5x2sK-3zxlA:
undetectable		 5x2sI-3zxlA:
12.41
5x2sJ-3zxlA:
13.79
5x2sK-3zxlA:
12.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4btg MAJOR INNER PROTEIN
P1

(Pseudomonas
virus phi6) 		no annotation 4 PRO A 181
THR A 177
TRP A 364
PRO A 442
 None
 1.36A 5x2sI-4btgA:
undetectable
5x2sJ-4btgA:
undetectable
5x2sK-4btgA:
undetectable		 5x2sI-4btgA:
10.39
5x2sJ-4btgA:
12.30
5x2sK-4btgA:
10.39
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.
4dlk PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Bacillus
anthracis) 		PF02222
(ATP-grasp)
PF02826
(2-Hacid_dh_C) 		4 PRO A 207
LYS A 204
THR A 286
TYR A 279
 PRO  A 207 ( 1.1A)
LYS  A 204 ( 0.0A)
THR  A 286 ( 0.8A)
TYR  A 279 ( 1.3A)
 1.36A 5x2sI-4dlkA:
undetectable
5x2sJ-4dlkA:
undetectable
5x2sK-4dlkA:
undetectable		 5x2sI-4dlkA:
17.77
5x2sJ-4dlkA:
19.82
5x2sK-4dlkA:
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.
4fai CG5976, ISOFORM B

(Drosophila
melanogaster) 		PF04389
(Peptidase_M28) 		4 PRO A 235
THR A 332
THR A 331
TYR A 280
 None
 1.34A 5x2sI-4faiA:
undetectable
5x2sJ-4faiA:
undetectable
5x2sK-4faiA:
undetectable		 5x2sI-4faiA:
18.63
5x2sJ-4faiA:
17.65
5x2sK-4faiA:
18.63
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.
4fdd TRANSPORTIN-1

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		4 LYS A 414
THR A 458
THR A 461
TYR A 465
 None
 1.15A 5x2sI-4fddA:
undetectable
5x2sJ-4fddA:
undetectable
5x2sK-4fddA:
undetectable		 5x2sI-4fddA:
10.40
5x2sJ-4fddA:
10.69
5x2sK-4fddA:
10.40
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.
4gsl AUTOPHAGY-RELATED
PROTEIN 3

(Saccharomyces
cerevisiae) 		PF03986
(Autophagy_N)
PF03987
(Autophagy_act_C)
PF10381
(Autophagy_C) 		4 PRO C 182
THR C  29
TYR C 286
PRO C  63
 None
 1.31A 5x2sI-4gslC:
undetectable
5x2sJ-4gslC:
undetectable
5x2sK-4gslC:
undetectable		 5x2sI-4gslC:
16.40
5x2sJ-4gslC:
17.63
5x2sK-4gslC:
16.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h2l ALPHA-GLOBIN
BETA GLOBIN

(Peromyscus
maniculatus) 		PF00042
(Globin) 		5 PRO A  95
THR A 134
THR A 137
TYR A 140
TRP B  37
 None
 0.48A 5x2sI-4h2lA:
26.1
5x2sJ-4h2lA:
21.9
5x2sK-4h2lA:
26.3		 5x2sI-4h2lA:
85.11
5x2sJ-4h2lA:
40.54
5x2sK-4h2lA:
85.11
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.
4h32 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 PRO A 168
THR A 169
TRP A 177
PRO A 251
 None
 1.34A 5x2sI-4h32A:
undetectable
5x2sJ-4h32A:
undetectable
5x2sK-4h32A:
undetectable		 5x2sI-4h32A:
17.03
5x2sJ-4h32A:
19.60
5x2sK-4h32A:
17.03
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.
4inq OXYSTEROL-BINDING
PROTEIN HOMOLOG 3

(Saccharomyces
cerevisiae) 		PF01237
(Oxysterol_BP) 		4 PRO A 916
TYR A 962
TRP A 940
PRO A 924
 None
 1.03A 5x2sI-4inqA:
undetectable
5x2sJ-4inqA:
undetectable
5x2sK-4inqA:
undetectable		 5x2sI-4inqA:
15.89
5x2sJ-4inqA:
15.87
5x2sK-4inqA:
15.89
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.
4iox TRIPARTITE TERMINASE
SUBUNIT UL15

(Human
alphaherpesvirus
1) 		PF02499
(DNA_pack_C) 		4 PRO A 491
THR A 493
TYR A 529
PRO A 673
 PGE  A 801 (-4.0A)
None
None
None
 1.08A 5x2sI-4ioxA:
undetectable
5x2sJ-4ioxA:
undetectable
5x2sK-4ioxA:
undetectable		 5x2sI-4ioxA:
23.91
5x2sJ-4ioxA:
19.77
5x2sK-4ioxA:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jy4 PGT121 HEAVY CHAIN
PGT121 LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 PRO B 165
THR A 162
THR A 163
PRO A 114
 None
 1.34A 5x2sI-4jy4B:
undetectable
5x2sJ-4jy4B:
undetectable
5x2sK-4jy4B:
undetectable		 5x2sI-4jy4B:
20.25
5x2sJ-4jy4B:
19.74
5x2sK-4jy4B:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lwo ARGININE
N-METHYLTRANSFERASE,
PUTATIVE

(Trypanosoma
brucei) 		no annotation 4 PRO B 312
LYS B 320
THR B 323
THR B 296
 None
 1.15A 5x2sI-4lwoB:
undetectable
5x2sJ-4lwoB:
undetectable
5x2sK-4lwoB:
undetectable		 5x2sI-4lwoB:
17.22
5x2sJ-4lwoB:
18.21
5x2sK-4lwoB:
17.22
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.
4n7w TRANSPORTER,
SODIUM/BILE ACID
SYMPORTER FAMILY

(Yersinia
frederiksenii) 		PF01758
(SBF) 		4 THR A 141
THR A 137
TYR A  72
PRO A 278
 None
 1.33A 5x2sI-4n7wA:
undetectable
5x2sJ-4n7wA:
undetectable
5x2sK-4n7wA:
undetectable		 5x2sI-4n7wA:
22.62
5x2sJ-4n7wA:
20.28
5x2sK-4n7wA:
22.62
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.
4p13 MEDIUM-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 LYS A 211
THR A 168
TYR A 176
PRO A  49
 None
FAD  A 401 (-3.9A)
None
None
 0.96A 5x2sI-4p13A:
undetectable
5x2sJ-4p13A:
undetectable
5x2sK-4p13A:
undetectable		 5x2sI-4p13A:
18.72
5x2sJ-4p13A:
15.60
5x2sK-4p13A:
18.72
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.
4q6r SPHINGOSINE-1-PHOSPH
ATE LYASE 1

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 PRO A 311
THR A 345
TYR A 371
PRO A 238
 None
 1.21A 5x2sI-4q6rA:
undetectable
5x2sJ-4q6rA:
undetectable
5x2sK-4q6rA:
undetectable		 5x2sI-4q6rA:
14.65
5x2sJ-4q6rA:
14.48
5x2sK-4q6rA:
14.65
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.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 PRO A  83
THR A 193
TYR A 191
PRO A 138
 None
 1.35A 5x2sI-4qk3A:
undetectable
5x2sJ-4qk3A:
undetectable
5x2sK-4qk3A:
undetectable		 5x2sI-4qk3A:
19.76
5x2sJ-4qk3A:
24.90
5x2sK-4qk3A:
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.
4xsv ETHANOLAMINE-PHOSPHA
TE
CYTIDYLYLTRANSFERASE

(Homo sapiens) 		PF01467
(CTP_transf_like) 		4 THR A 125
THR A 117
PRO A  94
LYS A  66
 None
None
None
CTP  A 402 ( 4.8A)
 1.33A 5x2sI-4xsvA:
undetectable
5x2sJ-4xsvA:
undetectable
5x2sK-4xsvA:
undetectable		 5x2sI-4xsvA:
17.72
5x2sJ-4xsvA:
19.69
5x2sK-4xsvA:
17.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yu4 HEMOGLOBIN

(Helogale
parvula) 		PF00042
(Globin) 		4 PRO A  95
THR A 134
THR A 137
TRP B  37
 None
 0.72A 5x2sI-4yu4A:
25.3
5x2sJ-4yu4A:
20.9
5x2sK-4yu4A:
25.8		 5x2sI-4yu4A:
87.94
5x2sJ-4yu4A:
42.57
5x2sK-4yu4A:
87.94
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.
4zgv FERREDOXIN RECEPTOR

(Pectobacterium
atrosepticum) 		PF07715
(Plug) 		4 THR A 218
THR A 217
TYR A 215
PRO A 278
 None
 1.25A 5x2sI-4zgvA:
undetectable
5x2sJ-4zgvA:
undetectable
5x2sK-4zgvA:
undetectable		 5x2sI-4zgvA:
11.97
5x2sJ-4zgvA:
9.14
5x2sK-4zgvA:
11.97
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.
4zpr HYPOXIA-INDUCIBLE
FACTOR 1-ALPHA

(Mus musculus) 		PF00989
(PAS)
PF08447
(PAS_3) 		4 THR B 301
THR B 302
TYR B 305
PRO B 230
 None
 1.36A 5x2sI-4zprB:
undetectable
5x2sJ-4zprB:
undetectable
5x2sK-4zprB:
undetectable		 5x2sI-4zprB:
18.03
5x2sJ-4zprB:
17.49
5x2sK-4zprB:
18.03
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.
5aho 5' EXONUCLEASE
APOLLO

(Homo sapiens) 		PF07522
(DRMBL) 		4 PRO A  10
TYR A 111
TRP A  68
PRO A  47
 None
 1.35A 5x2sI-5ahoA:
undetectable
5x2sJ-5ahoA:
undetectable
5x2sK-5ahoA:
undetectable		 5x2sI-5ahoA:
17.27
5x2sJ-5ahoA:
19.80
5x2sK-5ahoA:
17.27
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.
5b3j NMDA GLUTAMATE
RECEPTOR SUBUNIT

(Xenopus laevis) 		PF01094
(ANF_receptor) 		4 PRO A 104
THR A 122
THR A 123
TYR A 128
 None
 1.23A 5x2sI-5b3jA:
undetectable
5x2sJ-5b3jA:
undetectable
5x2sK-5b3jA:
undetectable		 5x2sI-5b3jA:
18.26
5x2sJ-5b3jA:
17.80
5x2sK-5b3jA:
18.26
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.
5bra PUTATIVE PERIPLASMIC
BINDING PROTEIN WITH
SUBSTRATE RIBOSE

(Ochrobactrum
anthropi) 		PF13407
(Peripla_BP_4) 		4 THR A 171
THR A 170
TYR A 168
TRP A 281
 None
 1.25A 5x2sI-5braA:
undetectable
5x2sJ-5braA:
undetectable
5x2sK-5braA:
undetectable		 5x2sI-5braA:
18.29
5x2sJ-5braA:
18.34
5x2sK-5braA:
18.29
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.
5fkc BETA-FRUCTOFURANOSID
ASE

(Xanthophyllomyces
dendrorhous) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 PRO A 206
THR A 163
TYR A 139
PRO A 212
 None
 1.26A 5x2sI-5fkcA:
undetectable
5x2sJ-5fkcA:
undetectable
5x2sK-5fkcA:
undetectable		 5x2sI-5fkcA:
11.85
5x2sJ-5fkcA:
10.79
5x2sK-5fkcA:
11.85
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.
5fnu KELCH-LIKE
ECH-ASSOCIATED
PROTEIN 1

(Mus musculus) 		PF01344
(Kelch_1) 		4 PRO A 398
THR A 609
TYR A 329
PRO A 445
 None
 1.11A 5x2sI-5fnuA:
undetectable
5x2sJ-5fnuA:
undetectable
5x2sK-5fnuA:
undetectable		 5x2sI-5fnuA:
17.18
5x2sJ-5fnuA:
18.18
5x2sK-5fnuA:
17.18
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.
5gai TAIL FIBER PROTEIN

(Salmonella
virus P22) 		no annotation 4 PRO Y 405
THR Y 374
THR Y 369
PRO Y 424
 None
 1.23A 5x2sI-5gaiY:
undetectable
5x2sJ-5gaiY:
undetectable
5x2sK-5gaiY:
undetectable		 5x2sI-5gaiY:
13.51
5x2sJ-5gaiY:
12.78
5x2sK-5gaiY:
13.51
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.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis) 		PF14592
(Chondroitinas_B) 		4 THR A 536
THR A 535
TYR A 544
PRO A 118
 None
 1.11A 5x2sI-5gkqA:
undetectable
5x2sJ-5gkqA:
undetectable
5x2sK-5gkqA:
undetectable		 5x2sI-5gkqA:
10.50
5x2sJ-5gkqA:
11.81
5x2sK-5gkqA:
10.50
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.
5guh PIWI

(Bombyx mori) 		PF02170
(PAZ)
PF02171
(Piwi) 		4 THR A 354
THR A 348
TYR A 350
PRO A 405
 None
 1.14A 5x2sI-5guhA:
undetectable
5x2sJ-5guhA:
undetectable
5x2sK-5guhA:
undetectable		 5x2sI-5guhA:
9.13
5x2sJ-5guhA:
10.64
5x2sK-5guhA:
9.13
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.
5jvb PHOSPHONATE ABC
TRANSPORTER,
PERIPLASMIC
PHOSPHONATE-BINDING
PROTEIN

(Trichodesmium
erythraeum) 		no annotation 4 PRO A 137
THR A 131
TYR A 125
PRO A 180
 None
2PO  A 301 (-3.6A)
None
None
 1.21A 5x2sI-5jvbA:
undetectable
5x2sJ-5jvbA:
undetectable
5x2sK-5jvbA:
undetectable		 5x2sI-5jvbA:
19.86
5x2sJ-5jvbA:
23.48
5x2sK-5jvbA:
19.86
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.
5jzd ISOCHORISMATE
SYNTHASE ENTC

(Escherichia
coli) 		PF00425
(Chorismate_bind) 		4 PRO A 196
THR A 270
THR A 271
PRO A 280
 None
 1.34A 5x2sI-5jzdA:
undetectable
5x2sJ-5jzdA:
undetectable
5x2sK-5jzdA:
undetectable		 5x2sI-5jzdA:
17.75
5x2sJ-5jzdA:
18.75
5x2sK-5jzdA:
17.75
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.
5jzg CAPSID PROTEIN VP0

(Rhinovirus C) 		PF00073
(Rhv)
PF02226
(Pico_P1A) 		4 PRO C 317
LYS C 319
THR C 124
TYR C 130
 None
 1.33A 5x2sI-5jzgC:
undetectable
5x2sJ-5jzgC:
undetectable
5x2sK-5jzgC:
undetectable		 5x2sI-5jzgC:
16.82
5x2sJ-5jzgC:
18.73
5x2sK-5jzgC:
16.82
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.
5kbp GLYCOSYL HYDROLASE,
FAMILY 38

(Enterococcus
faecalis) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 LYS A 604
THR A 661
THR A 660
TYR A 775
 None
 1.28A 5x2sI-5kbpA:
undetectable
5x2sJ-5kbpA:
undetectable
5x2sK-5kbpA:
undetectable		 5x2sI-5kbpA:
8.69
5x2sJ-5kbpA:
10.28
5x2sK-5kbpA:
8.69
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		4 THR A  77
THR A  76
TYR A 103
PRO A  57
 SAM  A 301 (-3.5A)
SAM  A 301 (-4.7A)
SAM  A 301 (-4.8A)
None
 1.28A 5x2sI-5kvaA:
undetectable
5x2sJ-5kvaA:
undetectable
5x2sK-5kvaA:
undetectable		 5x2sI-5kvaA:
22.83
5x2sJ-5kvaA:
22.54
5x2sK-5kvaA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5odb D10 FAB FRAGMENT -
HEAVY CHAIN
D10 FAB FRAGMENT -
LIGHT CHAIN

(Homo sapiens) 		no annotation 4 PRO A 178
THR B 162
THR B 163
PRO B 114
 None
 1.34A 5x2sI-5odbA:
undetectable
5x2sJ-5odbA:
undetectable
5x2sK-5odbA:
undetectable		 5x2sI-5odbA:
21.43
5x2sJ-5odbA:
21.58
5x2sK-5odbA:
21.43
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.
5oom 39S RIBOSOMAL
PROTEIN L28,
MITOCHONDRIAL

(Homo sapiens) 		PF00830
(Ribosomal_L28) 		4 THR X 128
THR X 131
TYR X 144
PRO X  72
 None
 1.35A 5x2sI-5oomX:
undetectable
5x2sJ-5oomX:
undetectable
5x2sK-5oomX:
undetectable		 5x2sI-5oomX:
19.92
5x2sJ-5oomX:
19.52
5x2sK-5oomX:
19.92
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.
5yg7 RIBOSE
1,5-BISPHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		no annotation 4 PRO A  72
LYS A 240
THR A  67
TYR A  62
 None
RI2  A 401 (-2.8A)
None
None
 1.28A 5x2sI-5yg7A:
undetectable
5x2sJ-5yg7A:
undetectable
5x2sK-5yg7A:
undetectable		 5x2sI-5yg7A:
20.90
5x2sJ-5yg7A:
20.55
5x2sK-5yg7A:
20.90
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.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 4 PRO A 404
THR A 305
TYR A 343
PRO A 422
 None
 1.23A 5x2sI-6ay4A:
undetectable
5x2sJ-6ay4A:
undetectable
5x2sK-6ay4A:
undetectable		 5x2sI-6ay4A:
15.77
5x2sJ-6ay4A:
14.66
5x2sK-6ay4A:
15.77
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.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 4 PRO A 460
THR A 475
TYR A 455
PRO A 357
 None
None
None
HEM  A 501 ( 4.4A)
 1.21A 5x2sI-6ay4A:
undetectable
5x2sJ-6ay4A:
undetectable
5x2sK-6ay4A:
undetectable		 5x2sI-6ay4A:
15.77
5x2sJ-6ay4A:
14.66
5x2sK-6ay4A:
15.77
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.
6bck N49P7 FAB HEAVY
CHAIN OF N29P7 IGG
N49P7 FAB LIGHT
CHAIN FROM N49P7 IGG

(Homo sapiens) 		no annotation 4 PRO H 167
THR L 161
THR L 162
PRO L 113
 None
 1.33A 5x2sI-6bckH:
undetectable
5x2sJ-6bckH:
undetectable
5x2sK-6bckH:
undetectable		 5x2sI-6bckH:
18.85
5x2sJ-6bckH:
18.88
5x2sK-6bckH:
18.85
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.
6bvd LIGHT CHAIN

(Clostridium
botulinum) 		no annotation 4 PRO A 158
LYS A 166
THR A 163
TYR A  77
 None
 1.16A 5x2sI-6bvdA:
undetectable
5x2sJ-6bvdA:
undetectable
5x2sK-6bvdA:
undetectable		 5x2sI-6bvdA:
17.73
5x2sJ-6bvdA:
17.81
5x2sK-6bvdA:
17.73
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.
6c3p ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8

(Homo sapiens) 		no annotation 4 PRO E 694
THR E 689
THR E 687
PRO E1467
 None
 1.29A 5x2sI-6c3pE:
undetectable
5x2sJ-6c3pE:
undetectable
5x2sK-6c3pE:
undetectable		 5x2sI-6c3pE:
16.67
5x2sJ-6c3pE:
18.12
5x2sK-6c3pE:
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.
6ceg CONOTOXIN MOVIB

(Conus) 		no annotation 4 PRO A   4
THR A  18
THR A  17
TYR A  29
 None
 1.21A 5x2sI-6cegA:
undetectable
5x2sJ-6cegA:
undetectable
5x2sK-6cegA:
undetectable		 5x2sI-6cegA:
5.67
5x2sJ-6cegA:
8.22
5x2sK-6cegA:
5.67