SIMILAR PATTERNS OF AMINO ACIDS FOR 4TWD_A_377A402

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.
1a5z L-LACTATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 253
ALA A 255
ALA A  39
SER A  35
ALA A 249
 None
 1.30A 4twdA-1a5zA:
0.0
4twdB-1a5zA:
0.0
4twdC-1a5zA:
0.0
4twdD-1a5zA:
0.0
4twdE-1a5zA:
undetectable		 4twdA-1a5zA:
19.77
4twdB-1a5zA:
19.77
4twdC-1a5zA:
19.77
4twdD-1a5zA:
19.77
4twdE-1a5zA:
19.77
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.
1dzt DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE

(Salmonella
enterica) 		PF00908
(dTDP_sugar_isom) 		5 ALA A 171
ALA A 168
SER A 167
ALA A 173
SER A 146
 None
None
TPE  A1000 (-3.4A)
None
None
 1.24A 4twdA-1dztA:
0.0
4twdB-1dztA:
0.1
4twdC-1dztA:
0.0
4twdD-1dztA:
0.0
4twdE-1dztA:
0.0		 4twdA-1dztA:
20.51
4twdB-1dztA:
20.51
4twdC-1dztA:
20.51
4twdD-1dztA:
20.51
4twdE-1dztA:
20.51
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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ALA A1426
SER A1450
ALA A1422
ALA A1428
SER A1397
 None
 1.33A 4twdA-1e6yA:
2.8
4twdB-1e6yA:
2.8
4twdC-1e6yA:
2.7
4twdD-1e6yA:
2.8
4twdE-1e6yA:
2.7		 4twdA-1e6yA:
18.85
4twdB-1e6yA:
18.85
4twdC-1e6yA:
18.85
4twdD-1e6yA:
18.85
4twdE-1e6yA:
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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ALA A1428
SER A1397
ALA A1426
SER A1450
ALA A1422
 None
 1.32A 4twdA-1e6yA:
2.8
4twdB-1e6yA:
2.8
4twdC-1e6yA:
2.7
4twdD-1e6yA:
2.8
4twdE-1e6yA:
2.7		 4twdA-1e6yA:
18.85
4twdB-1e6yA:
18.85
4twdC-1e6yA:
18.85
4twdD-1e6yA:
18.85
4twdE-1e6yA:
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.
1jx7 HYPOTHETICAL PROTEIN
YCHN

(Escherichia
coli) 		PF02635
(DrsE) 		6 ALA A  48
ALA A   8
SER A  21
SER A  17
ALA A  11
SER A  15
 None
 1.35A 4twdA-1jx7A:
0.0
4twdB-1jx7A:
0.0
4twdC-1jx7A:
0.0
4twdD-1jx7A:
0.0
4twdE-1jx7A:
0.0		 4twdA-1jx7A:
17.59
4twdB-1jx7A:
17.59
4twdC-1jx7A:
17.59
4twdD-1jx7A:
17.59
4twdE-1jx7A:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mai PHOSPHOLIPASE C
DELTA-1

(Rattus
norvegicus) 		PF16457
(PH_12) 		5 ALA A 116
SER A 114
ALA A  21
SER A  26
ALA A 118
 None
 1.28A 4twdA-1maiA:
0.0
4twdB-1maiA:
0.0
4twdC-1maiA:
0.0
4twdD-1maiA:
0.0
4twdE-1maiA:
0.0		 4twdA-1maiA:
17.80
4twdB-1maiA:
17.80
4twdC-1maiA:
17.80
4twdD-1maiA:
17.80
4twdE-1maiA:
17.80
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.
1mai PHOSPHOLIPASE C
DELTA-1

(Rattus
norvegicus) 		PF16457
(PH_12) 		5 SER A  26
ALA A 118
ALA A 116
SER A 114
ALA A  21
 None
 1.27A 4twdA-1maiA:
0.0
4twdB-1maiA:
0.0
4twdC-1maiA:
0.0
4twdD-1maiA:
0.0
4twdE-1maiA:
0.0		 4twdA-1maiA:
17.80
4twdB-1maiA:
17.80
4twdC-1maiA:
17.80
4twdD-1maiA:
17.80
4twdE-1maiA:
17.80
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.
1mzh DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Aquifex
aeolicus) 		PF01791
(DeoC) 		5 ALA A 184
ALA A 179
ALA A 176
ALA A 218
SER A 217
 None
 1.10A 4twdA-1mzhA:
0.0
4twdB-1mzhA:
0.0
4twdC-1mzhA:
0.0
4twdD-1mzhA:
0.0
4twdE-1mzhA:
0.0		 4twdA-1mzhA:
20.57
4twdB-1mzhA:
20.57
4twdC-1mzhA:
20.57
4twdD-1mzhA:
20.57
4twdE-1mzhA:
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.
1ot5 KEXIN

(Saccharomyces
cerevisiae) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 ALA A 388
SER A 272
ALA A 392
SER A 270
ALA A 386
 None
 1.27A 4twdA-1ot5A:
0.0
4twdB-1ot5A:
0.0
4twdC-1ot5A:
0.0
4twdD-1ot5A:
0.0
4twdE-1ot5A:
0.0		 4twdA-1ot5A:
20.62
4twdB-1ot5A:
20.62
4twdC-1ot5A:
20.62
4twdD-1ot5A:
20.62
4twdE-1ot5A:
20.62
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.
1p9h INVASIN

(Yersinia
enterocolitica) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 ALA A  88
ALA A  86
SER A  72
ALA A  82
ALA A  79
 None
 1.34A 4twdA-1p9hA:
undetectable
4twdB-1p9hA:
0.0
4twdC-1p9hA:
0.0
4twdD-1p9hA:
0.0
4twdE-1p9hA:
0.0		 4twdA-1p9hA:
20.41
4twdB-1p9hA:
20.41
4twdC-1p9hA:
20.41
4twdD-1p9hA:
20.41
4twdE-1p9hA:
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.
1p9h INVASIN

(Yersinia
enterocolitica) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 ALA A  95
ALA A  88
SER A  93
ALA A  74
ALA A  82
 None
 1.29A 4twdA-1p9hA:
undetectable
4twdB-1p9hA:
0.0
4twdC-1p9hA:
0.0
4twdD-1p9hA:
0.0
4twdE-1p9hA:
0.0		 4twdA-1p9hA:
20.41
4twdB-1p9hA:
20.41
4twdC-1p9hA:
20.41
4twdD-1p9hA:
20.41
4twdE-1p9hA:
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.
1sc0 HYPOTHETICAL PROTEIN
HI1161

(Haemophilus
influenzae) 		PF03061
(4HBT) 		5 ALA A 102
ALA A 100
ALA A  38
SER A  29
ALA A  69
 None
 1.32A 4twdA-1sc0A:
0.0
4twdB-1sc0A:
undetectable
4twdC-1sc0A:
0.0
4twdD-1sc0A:
undetectable
4twdE-1sc0A:
0.0		 4twdA-1sc0A:
16.77
4twdB-1sc0A:
16.77
4twdC-1sc0A:
16.77
4twdD-1sc0A:
16.77
4twdE-1sc0A:
16.77
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.
1tnn TITIN MODULE M5

(Homo sapiens) 		PF07679
(I-set) 		5 ALA A  44
SER A  41
ALA A  64
SER A  65
SER A  61
 None
 1.18A 4twdA-1tnnA:
undetectable
4twdB-1tnnA:
undetectable
4twdC-1tnnA:
undetectable
4twdD-1tnnA:
undetectable
4twdE-1tnnA:
undetectable		 4twdA-1tnnA:
16.49
4twdB-1tnnA:
16.49
4twdC-1tnnA:
16.49
4twdD-1tnnA:
16.49
4twdE-1tnnA:
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.
1tnn TITIN MODULE M5

(Homo sapiens) 		PF07679
(I-set) 		5 SER A  61
ALA A  44
SER A  41
ALA A  64
SER A  65
 None
 1.18A 4twdA-1tnnA:
undetectable
4twdB-1tnnA:
undetectable
4twdC-1tnnA:
undetectable
4twdD-1tnnA:
undetectable
4twdE-1tnnA:
undetectable		 4twdA-1tnnA:
16.49
4twdB-1tnnA:
16.49
4twdC-1tnnA:
16.49
4twdD-1tnnA:
16.49
4twdE-1tnnA:
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.
2b4m GLYCINE
BETAINE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF04069
(OpuAC) 		5 ALA A 212
ALA A 206
SER A 223
ALA A 174
SER A 221
 None
 1.32A 4twdA-2b4mA:
undetectable
4twdB-2b4mA:
undetectable
4twdC-2b4mA:
undetectable
4twdD-2b4mA:
undetectable
4twdE-2b4mA:
undetectable		 4twdA-2b4mA:
19.00
4twdB-2b4mA:
19.00
4twdC-2b4mA:
19.00
4twdD-2b4mA:
19.00
4twdE-2b4mA:
19.00
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.
2fon PEROXISOMAL ACYL-COA
OXIDASE 1A

(Solanum
lycopersicum) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 ALA A 435
ALA A 522
SER A 495
ALA A 525
SER A 491
 None
 1.27A 4twdA-2fonA:
2.8
4twdB-2fonA:
3.0
4twdC-2fonA:
2.8
4twdD-2fonA:
2.9
4twdE-2fonA:
3.0		 4twdA-2fonA:
18.93
4twdB-2fonA:
18.93
4twdC-2fonA:
18.93
4twdD-2fonA:
18.93
4twdE-2fonA:
18.93
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.
2fon PEROXISOMAL ACYL-COA
OXIDASE 1A

(Solanum
lycopersicum) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 ALA A 522
SER A 495
ALA A 525
SER A 491
ALA A 435
 None
 1.20A 4twdA-2fonA:
2.8
4twdB-2fonA:
3.0
4twdC-2fonA:
2.8
4twdD-2fonA:
2.9
4twdE-2fonA:
3.0		 4twdA-2fonA:
18.93
4twdB-2fonA:
18.93
4twdC-2fonA:
18.93
4twdD-2fonA:
18.93
4twdE-2fonA:
18.93
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.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 178
ALA A 174
ALA A 353
SER A 356
ALA A 180
 None
 1.28A 4twdA-2gp6A:
undetectable
4twdB-2gp6A:
undetectable
4twdC-2gp6A:
undetectable
4twdD-2gp6A:
undetectable
4twdE-2gp6A:
undetectable		 4twdA-2gp6A:
21.16
4twdB-2gp6A:
21.16
4twdC-2gp6A:
21.16
4twdD-2gp6A:
21.16
4twdE-2gp6A:
21.16
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.
2hke DIPHOSPHOMEVALONATE
DECARBOXYLASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00288
(GHMP_kinases_N) 		5 ALA A 294
SER A 199
ALA A 113
SER A 115
SER A 146
 None
 1.32A 4twdA-2hkeA:
undetectable
4twdB-2hkeA:
undetectable
4twdC-2hkeA:
undetectable
4twdD-2hkeA:
undetectable
4twdE-2hkeA:
undetectable		 4twdA-2hkeA:
20.82
4twdB-2hkeA:
20.82
4twdC-2hkeA:
20.82
4twdD-2hkeA:
20.82
4twdE-2hkeA:
20.82
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.
2hr2 HYPOTHETICAL PROTEIN

(Chlorobaculum
tepidum) 		PF12968
(DUF3856) 		5 ALA A  60
SER A 102
ALA A  63
SER A 106
ALA A  65
 None
GOL  A 159 (-2.8A)
None
GOL  A 159 ( 4.4A)
None
 1.18A 4twdA-2hr2A:
4.0
4twdB-2hr2A:
4.2
4twdC-2hr2A:
4.1
4twdD-2hr2A:
4.2
4twdE-2hr2A:
4.0		 4twdA-2hr2A:
19.72
4twdB-2hr2A:
19.72
4twdC-2hr2A:
19.72
4twdD-2hr2A:
19.72
4twdE-2hr2A:
19.72
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.
2j9i GLUTAMATE-AMMONIA
LIGASE
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		PF00120
(Gln-synt_C) 		5 ALA A 273
ALA A 327
ALA A 324
SER A 230
ALA A 271
 None
 1.21A 4twdA-2j9iA:
undetectable
4twdB-2j9iA:
undetectable
4twdC-2j9iA:
undetectable
4twdD-2j9iA:
undetectable
4twdE-2j9iA:
undetectable		 4twdA-2j9iA:
18.33
4twdB-2j9iA:
18.33
4twdC-2j9iA:
18.33
4twdD-2j9iA:
18.33
4twdE-2j9iA:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j9i GLUTAMATE-AMMONIA
LIGASE
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		PF00120
(Gln-synt_C) 		5 ALA A 327
ALA A 325
SER A 230
ALA A 219
ALA A 276
 None
 1.21A 4twdA-2j9iA:
undetectable
4twdB-2j9iA:
undetectable
4twdC-2j9iA:
undetectable
4twdD-2j9iA:
undetectable
4twdE-2j9iA:
undetectable		 4twdA-2j9iA:
18.33
4twdB-2j9iA:
18.33
4twdC-2j9iA:
18.33
4twdD-2j9iA:
18.33
4twdE-2j9iA:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2k3n TUSP1

(Nephila
antipodiana) 		PF12042
(RP1-2) 		5 ALA A 115
SER A 116
ALA A 112
ALA A  14
ALA A  21
 None
 1.26A 4twdA-2k3nA:
undetectable
4twdB-2k3nA:
undetectable
4twdC-2k3nA:
undetectable
4twdD-2k3nA:
undetectable
4twdE-2k3nA:
undetectable		 4twdA-2k3nA:
17.67
4twdB-2k3nA:
17.67
4twdC-2k3nA:
17.67
4twdD-2k3nA:
17.67
4twdE-2k3nA:
17.67
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.
2nn6 EXOSOME COMPONENT 6

(Homo sapiens) 		PF01138
(RNase_PH) 		5 ALA F 157
SER F 156
ALA F 161
ALA F 164
ALA F  57
 None
 1.32A 4twdA-2nn6F:
undetectable
4twdB-2nn6F:
undetectable
4twdC-2nn6F:
undetectable
4twdD-2nn6F:
undetectable
4twdE-2nn6F:
undetectable		 4twdA-2nn6F:
21.60
4twdB-2nn6F:
21.60
4twdC-2nn6F:
21.60
4twdD-2nn6F:
21.60
4twdE-2nn6F:
21.60
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.
2nqo GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Helicobacter
pylori) 		PF01019
(G_glu_transpept) 		5 ALA A  67
ALA A  64
ALA A  40
SER A  42
ALA A  71
 None
 1.16A 4twdA-2nqoA:
undetectable
4twdB-2nqoA:
undetectable
4twdC-2nqoA:
undetectable
4twdD-2nqoA:
undetectable
4twdE-2nqoA:
undetectable		 4twdA-2nqoA:
21.52
4twdB-2nqoA:
21.52
4twdC-2nqoA:
21.52
4twdD-2nqoA:
21.52
4twdE-2nqoA:
21.52
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.
2ns6 MOBILIZATION PROTEIN
A

(Pseudomonas
aeruginosa) 		PF03389
(MobA_MobL) 		5 ALA A  23
ALA A  19
SER A  18
ALA A  61
ALA A  55
 None
 1.33A 4twdA-2ns6A:
1.2
4twdB-2ns6A:
1.4
4twdC-2ns6A:
undetectable
4twdD-2ns6A:
undetectable
4twdE-2ns6A:
1.3		 4twdA-2ns6A:
18.39
4twdB-2ns6A:
18.39
4twdC-2ns6A:
18.39
4twdD-2ns6A:
18.39
4twdE-2ns6A:
18.39
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.
2og9 MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Polaromonas sp.
JS666) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  80
ALA A  78
SER A  68
ALA A 118
SER A  66
 None
 1.16A 4twdA-2og9A:
undetectable
4twdB-2og9A:
undetectable
4twdC-2og9A:
undetectable
4twdD-2og9A:
undetectable
4twdE-2og9A:
undetectable		 4twdA-2og9A:
21.88
4twdB-2og9A:
21.88
4twdC-2og9A:
21.88
4twdD-2og9A:
21.88
4twdE-2og9A:
21.88
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.
2og9 MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Polaromonas sp.
JS666) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 118
SER A  66
ALA A  80
ALA A  78
SER A  68
 None
 1.17A 4twdA-2og9A:
undetectable
4twdB-2og9A:
undetectable
4twdC-2og9A:
undetectable
4twdD-2og9A:
undetectable
4twdE-2og9A:
undetectable		 4twdA-2og9A:
21.88
4twdB-2og9A:
21.88
4twdC-2og9A:
21.88
4twdD-2og9A:
21.88
4twdE-2og9A:
21.88
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.
2pwh SUCROSE ISOMERASE

([Pseudomonas]
mesoacidophila) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 ALA A 351
ALA A 349
SER A 551
ALA A 345
SER A 532
 None
 1.25A 4twdA-2pwhA:
undetectable
4twdB-2pwhA:
undetectable
4twdC-2pwhA:
undetectable
4twdD-2pwhA:
undetectable
4twdE-2pwhA:
undetectable		 4twdA-2pwhA:
19.58
4twdB-2pwhA:
19.58
4twdC-2pwhA:
19.58
4twdD-2pwhA:
19.58
4twdE-2pwhA:
19.58
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.
2vmx SERINE
HYDROXYMETHYLTRANSFE
RASE

(Geobacillus
stearothermophilus) 		PF00464
(SHMT) 		5 ALA A 264
ALA A  42
ALA A  38
SER A  36
ALA A 267
 None
 1.28A 4twdA-2vmxA:
undetectable
4twdB-2vmxA:
undetectable
4twdC-2vmxA:
undetectable
4twdD-2vmxA:
undetectable
4twdE-2vmxA:
undetectable		 4twdA-2vmxA:
21.76
4twdB-2vmxA:
21.76
4twdC-2vmxA:
21.76
4twdD-2vmxA:
21.76
4twdE-2vmxA:
21.76
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.
2wb1 DNA-DIRECTED RNA
POLYMERASE RPO4
SUBUNIT

(Sulfolobus
shibatae) 		PF03874
(RNA_pol_Rpb4) 		5 ALA F  52
SER F  15
ALA F  73
SER F  74
ALA F  70
 None
 1.26A 4twdA-2wb1F:
undetectable
4twdB-2wb1F:
undetectable
4twdC-2wb1F:
undetectable
4twdD-2wb1F:
undetectable
4twdE-2wb1F:
undetectable		 4twdA-2wb1F:
18.81
4twdB-2wb1F:
18.81
4twdC-2wb1F:
18.81
4twdD-2wb1F:
18.81
4twdE-2wb1F:
18.81
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.
2x98 ALKALINE PHOSPHATASE

(Halobacterium
salinarum) 		PF00245
(Alk_phosphatase) 		5 ALA A 119
ALA A 174
ALA A 177
ALA A 123
SER A 124
 None
 1.33A 4twdA-2x98A:
undetectable
4twdB-2x98A:
undetectable
4twdC-2x98A:
undetectable
4twdD-2x98A:
undetectable
4twdE-2x98A:
undetectable		 4twdA-2x98A:
21.16
4twdB-2x98A:
21.16
4twdC-2x98A:
21.16
4twdD-2x98A:
21.16
4twdE-2x98A:
21.16
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.
3cwc PUTATIVE GLYCERATE
KINASE 2

(Salmonella
enterica) 		PF02595
(Gly_kinase) 		5 ALA A  16
SER A  15
ALA A  51
ALA A  55
ALA A  20
 None
 1.27A 4twdA-3cwcA:
undetectable
4twdB-3cwcA:
undetectable
4twdC-3cwcA:
undetectable
4twdD-3cwcA:
undetectable
4twdE-3cwcA:
undetectable		 4twdA-3cwcA:
19.64
4twdB-3cwcA:
19.64
4twdC-3cwcA:
19.64
4twdD-3cwcA:
19.64
4twdE-3cwcA:
19.64
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.
3do5 HOMOSERINE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 ALA A  78
ALA A  38
SER A  47
ALA A  40
SER A  45
 None
 1.22A 4twdA-3do5A:
undetectable
4twdB-3do5A:
undetectable
4twdC-3do5A:
undetectable
4twdD-3do5A:
undetectable
4twdE-3do5A:
undetectable		 4twdA-3do5A:
22.69
4twdB-3do5A:
22.69
4twdC-3do5A:
22.69
4twdD-3do5A:
22.69
4twdE-3do5A:
22.69
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.
3du4 ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		5 ALA A 114
ALA A 116
ALA A 120
SER A 215
ALA A 153
 PLP  A 450 (-3.5A)
None
None
None
None
 1.22A 4twdA-3du4A:
undetectable
4twdB-3du4A:
undetectable
4twdC-3du4A:
undetectable
4twdD-3du4A:
undetectable
4twdE-3du4A:
undetectable		 4twdA-3du4A:
21.63
4twdB-3du4A:
21.63
4twdC-3du4A:
21.63
4twdD-3du4A:
21.63
4twdE-3du4A:
21.63
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.
3dwo PROBABLE OUTER
MEMBRANE PROTEIN

(Pseudomonas
aeruginosa) 		PF03349
(Toluene_X) 		5 ALA X  38
ALA X  36
ALA X  29
SER X 149
ALA X 111
 None
 1.18A 4twdA-3dwoX:
undetectable
4twdB-3dwoX:
undetectable
4twdC-3dwoX:
undetectable
4twdD-3dwoX:
undetectable
4twdE-3dwoX:
undetectable		 4twdA-3dwoX:
23.67
4twdB-3dwoX:
23.67
4twdC-3dwoX:
23.67
4twdD-3dwoX:
23.67
4twdE-3dwoX:
23.67
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.
3ecd SERINE
HYDROXYMETHYLTRANSFE
RASE 2

(Burkholderia
pseudomallei) 		PF00464
(SHMT) 		5 ALA A 273
ALA A  50
ALA A  46
SER A  44
ALA A 276
 None
 1.26A 4twdA-3ecdA:
undetectable
4twdB-3ecdA:
undetectable
4twdC-3ecdA:
undetectable
4twdD-3ecdA:
undetectable
4twdE-3ecdA:
undetectable		 4twdA-3ecdA:
22.50
4twdB-3ecdA:
22.50
4twdC-3ecdA:
22.50
4twdD-3ecdA:
22.50
4twdE-3ecdA:
22.50
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.
3fah ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 ALA A 375
ALA A 434
ALA A 431
ALA A 373
SER A 387
 None
 1.28A 4twdA-3fahA:
undetectable
4twdB-3fahA:
undetectable
4twdC-3fahA:
undetectable
4twdD-3fahA:
undetectable
4twdE-3fahA:
undetectable		 4twdA-3fahA:
15.46
4twdB-3fahA:
15.46
4twdC-3fahA:
15.46
4twdD-3fahA:
15.46
4twdE-3fahA:
15.46
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.
3faw RETICULOCYTE BINDING
PROTEIN

(Streptococcus
agalactiae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ALA A 570
ALA A 587
ALA A 566
SER A 695
ALA A 584
 None
 1.27A 4twdA-3fawA:
1.5
4twdB-3fawA:
undetectable
4twdC-3fawA:
1.4
4twdD-3fawA:
2.7
4twdE-3fawA:
undetectable		 4twdA-3fawA:
17.36
4twdB-3fawA:
17.36
4twdC-3fawA:
17.36
4twdD-3fawA:
17.36
4twdE-3fawA:
17.36
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.
3foa TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N) 		5 ALA A 475
ALA A 471
ALA A 375
SER A 377
ALA A  27
 None
 1.26A 4twdA-3foaA:
undetectable
4twdB-3foaA:
undetectable
4twdC-3foaA:
undetectable
4twdD-3foaA:
undetectable
4twdE-3foaA:
undetectable		 4twdA-3foaA:
20.39
4twdB-3foaA:
20.39
4twdC-3foaA:
20.39
4twdD-3foaA:
20.39
4twdE-3foaA:
20.39
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.
3h1v GLUCOKINASE

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 ALA X 201
ALA X 456
ALA X 454
ALA X 449
SER X  76
 None
TK1  X 501 ( 4.5A)
None
None
None
 1.21A 4twdA-3h1vX:
undetectable
4twdB-3h1vX:
undetectable
4twdC-3h1vX:
undetectable
4twdD-3h1vX:
undetectable
4twdE-3h1vX:
undetectable		 4twdA-3h1vX:
18.98
4twdB-3h1vX:
18.98
4twdC-3h1vX:
18.98
4twdD-3h1vX:
18.98
4twdE-3h1vX:
18.98
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.
3h5o TRANSCRIPTIONAL
REGULATOR GNTR

(Chromobacterium
violaceum) 		PF13377
(Peripla_BP_3) 		5 ALA A 250
ALA A 262
SER A 266
ALA A 280
SER A 338
 None
 1.32A 4twdA-3h5oA:
undetectable
4twdB-3h5oA:
undetectable
4twdC-3h5oA:
undetectable
4twdD-3h5oA:
undetectable
4twdE-3h5oA:
undetectable		 4twdA-3h5oA:
22.31
4twdB-3h5oA:
22.31
4twdC-3h5oA:
22.31
4twdD-3h5oA:
22.31
4twdE-3h5oA:
22.31
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.
3h5o TRANSCRIPTIONAL
REGULATOR GNTR

(Chromobacterium
violaceum) 		PF13377
(Peripla_BP_3) 		5 ALA A 259
ALA A 280
ALA A 250
ALA A 262
SER A 266
 None
 1.30A 4twdA-3h5oA:
undetectable
4twdB-3h5oA:
undetectable
4twdC-3h5oA:
undetectable
4twdD-3h5oA:
undetectable
4twdE-3h5oA:
undetectable		 4twdA-3h5oA:
22.31
4twdB-3h5oA:
22.31
4twdC-3h5oA:
22.31
4twdD-3h5oA:
22.31
4twdE-3h5oA:
22.31
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.
3h5o TRANSCRIPTIONAL
REGULATOR GNTR

(Chromobacterium
violaceum) 		PF13377
(Peripla_BP_3) 		5 ALA A 262
SER A 266
ALA A 259
ALA A 280
SER A 338
 None
 1.31A 4twdA-3h5oA:
undetectable
4twdB-3h5oA:
undetectable
4twdC-3h5oA:
undetectable
4twdD-3h5oA:
undetectable
4twdE-3h5oA:
undetectable		 4twdA-3h5oA:
22.31
4twdB-3h5oA:
22.31
4twdC-3h5oA:
22.31
4twdD-3h5oA:
22.31
4twdE-3h5oA:
22.31
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ BETA CHAIN

(Mycobacterium
tuberculosis) 		PF01960
(ArgJ) 		5 ALA B 215
ALA B 211
ALA B 209
SER B 247
ALA B 219
 None
 1.34A 4twdA-3it4B:
undetectable
4twdB-3it4B:
undetectable
4twdC-3it4B:
undetectable
4twdD-3it4B:
undetectable
4twdE-3it4B:
undetectable		 4twdA-3it4B:
17.83
4twdB-3it4B:
17.83
4twdC-3it4B:
17.83
4twdD-3it4B:
17.83
4twdE-3it4B:
17.83
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.
3j2n TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		5 ALA U 475
ALA U 471
ALA U 375
SER U 377
ALA U  27
 None
 1.26A 4twdA-3j2nU:
undetectable
4twdB-3j2nU:
undetectable
4twdC-3j2nU:
undetectable
4twdD-3j2nU:
undetectable
4twdE-3j2nU:
undetectable		 4twdA-3j2nU:
18.44
4twdB-3j2nU:
18.44
4twdC-3j2nU:
18.44
4twdD-3j2nU:
18.44
4twdE-3j2nU:
18.44
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.
3j7y MS30

(Homo sapiens) 		PF00829
(Ribosomal_L21p) 		5 ALA s 330
ALA s 328
ALA s 359
SER s 357
ALA s 334
 None
 1.12A 4twdA-3j7ys:
undetectable
4twdB-3j7ys:
undetectable
4twdC-3j7ys:
undetectable
4twdD-3j7ys:
undetectable
4twdE-3j7ys:
undetectable		 4twdA-3j7ys:
21.72
4twdB-3j7ys:
21.72
4twdC-3j7ys:
21.72
4twdD-3j7ys:
21.72
4twdE-3j7ys:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kzu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE II

(Brucella
melitensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 243
ALA A  83
ALA A 149
SER A 150
SER A 165
 None
 1.32A 4twdA-3kzuA:
undetectable
4twdB-3kzuA:
undetectable
4twdC-3kzuA:
undetectable
4twdD-3kzuA:
undetectable
4twdE-3kzuA:
undetectable		 4twdA-3kzuA:
20.91
4twdB-3kzuA:
20.91
4twdC-3kzuA:
20.91
4twdD-3kzuA:
20.91
4twdE-3kzuA:
20.91
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.
3kzu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE II

(Brucella
melitensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 351
ALA A 355
ALA A 357
SER A 401
SER A 403
 None
 1.33A 4twdA-3kzuA:
undetectable
4twdB-3kzuA:
undetectable
4twdC-3kzuA:
undetectable
4twdD-3kzuA:
undetectable
4twdE-3kzuA:
undetectable		 4twdA-3kzuA:
20.91
4twdB-3kzuA:
20.91
4twdC-3kzuA:
20.91
4twdD-3kzuA:
20.91
4twdE-3kzuA:
20.91
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.
3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Mycolicibacterium
smegmatis) 		PF01791
(DeoC) 		5 ALA A 171
SER A 162
ALA A 175
SER A 132
ALA A 191
 None
 1.32A 4twdA-3ndoA:
undetectable
4twdB-3ndoA:
undetectable
4twdC-3ndoA:
undetectable
4twdD-3ndoA:
undetectable
4twdE-3ndoA:
undetectable		 4twdA-3ndoA:
21.86
4twdB-3ndoA:
21.86
4twdC-3ndoA:
21.86
4twdD-3ndoA:
21.86
4twdE-3ndoA:
21.86
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.
3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Mycolicibacterium
smegmatis) 		PF01791
(DeoC) 		5 ALA A 209
ALA A 191
ALA A 171
SER A 132
ALA A 207
 None
 1.27A 4twdA-3ndoA:
undetectable
4twdB-3ndoA:
undetectable
4twdC-3ndoA:
undetectable
4twdD-3ndoA:
undetectable
4twdE-3ndoA:
undetectable		 4twdA-3ndoA:
21.86
4twdB-3ndoA:
21.86
4twdC-3ndoA:
21.86
4twdD-3ndoA:
21.86
4twdE-3ndoA:
21.86
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.
3ng3 DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Mycobacterium
avium) 		PF01791
(DeoC) 		5 ALA A 169
SER A 160
ALA A 173
SER A 130
ALA A 189
 None
 1.32A 4twdA-3ng3A:
undetectable
4twdB-3ng3A:
undetectable
4twdC-3ng3A:
undetectable
4twdD-3ng3A:
undetectable
4twdE-3ng3A:
undetectable		 4twdA-3ng3A:
20.38
4twdB-3ng3A:
20.38
4twdC-3ng3A:
20.38
4twdD-3ng3A:
20.38
4twdE-3ng3A:
20.38
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.
3ng3 DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Mycobacterium
avium) 		PF01791
(DeoC) 		5 ALA A 207
ALA A 189
ALA A 169
SER A 130
ALA A 205
 None
 1.27A 4twdA-3ng3A:
undetectable
4twdB-3ng3A:
undetectable
4twdC-3ng3A:
undetectable
4twdD-3ng3A:
undetectable
4twdE-3ng3A:
undetectable		 4twdA-3ng3A:
20.38
4twdB-3ng3A:
20.38
4twdC-3ng3A:
20.38
4twdD-3ng3A:
20.38
4twdE-3ng3A:
20.38
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.
3ntn USPA1

(Moraxella
catarrhalis) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 ALA A 208
ALA A 201
SER A 206
ALA A 186
ALA A 194
 None
 1.24A 4twdA-3ntnA:
undetectable
4twdB-3ntnA:
undetectable
4twdC-3ntnA:
undetectable
4twdD-3ntnA:
undetectable
4twdE-3ntnA:
undetectable		 4twdA-3ntnA:
20.07
4twdB-3ntnA:
20.07
4twdC-3ntnA:
20.07
4twdD-3ntnA:
20.07
4twdE-3ntnA:
20.07
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.
3org CMCLC

(Cyanidioschyzon
merolae) 		PF00654
(Voltage_CLC) 		5 ALA A 249
SER A 266
ALA A 247
ALA A 217
ALA A 253
 None
 1.23A 4twdA-3orgA:
2.0
4twdB-3orgA:
2.0
4twdC-3orgA:
2.0
4twdD-3orgA:
1.5
4twdE-3orgA:
1.9		 4twdA-3orgA:
18.34
4twdB-3orgA:
18.34
4twdC-3orgA:
18.34
4twdD-3orgA:
18.34
4twdE-3orgA:
18.34
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.
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		PF13458
(Peripla_BP_6) 		5 ALA A 100
ALA A  96
ALA A  94
SER A 117
ALA A  73
 None
None
PHE  A 400 (-4.3A)
PHE  A 400 (-4.2A)
None
 1.14A 4twdA-3td9A:
undetectable
4twdB-3td9A:
undetectable
4twdC-3td9A:
undetectable
4twdD-3td9A:
undetectable
4twdE-3td9A:
undetectable		 4twdA-3td9A:
20.11
4twdB-3td9A:
20.11
4twdC-3td9A:
20.11
4twdD-3td9A:
20.11
4twdE-3td9A:
20.11
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.
3ucq AMYLOSUCRASE

(Deinococcus
geothermalis) 		PF00128
(Alpha-amylase) 		5 ALA A 458
ALA A 454
SER A 453
ALA A 502
ALA A 475
 None
 1.30A 4twdA-3ucqA:
undetectable
4twdB-3ucqA:
undetectable
4twdC-3ucqA:
undetectable
4twdD-3ucqA:
undetectable
4twdE-3ucqA:
undetectable		 4twdA-3ucqA:
19.17
4twdB-3ucqA:
19.17
4twdC-3ucqA:
19.17
4twdD-3ucqA:
19.17
4twdE-3ucqA:
19.17
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.
3v7i PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N) 		5 ALA A 174
SER A 143
ALA A 177
SER A 141
ALA A 350
 None
 1.34A 4twdA-3v7iA:
undetectable
4twdB-3v7iA:
undetectable
4twdC-3v7iA:
undetectable
4twdD-3v7iA:
undetectable
4twdE-3v7iA:
undetectable		 4twdA-3v7iA:
21.22
4twdB-3v7iA:
21.22
4twdC-3v7iA:
21.22
4twdD-3v7iA:
21.22
4twdE-3v7iA:
21.22
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.
3wbh ALKALINE PHOSPHATASE

(Halomonas sp.
#593) 		PF00245
(Alk_phosphatase) 		5 ALA A  69
ALA A 120
ALA A 123
ALA A  73
SER A  74
 None
 1.32A 4twdA-3wbhA:
undetectable
4twdB-3wbhA:
undetectable
4twdC-3wbhA:
undetectable
4twdD-3wbhA:
undetectable
4twdE-3wbhA:
undetectable		 4twdA-3wbhA:
18.49
4twdB-3wbhA:
18.49
4twdC-3wbhA:
18.49
4twdD-3wbhA:
18.49
4twdE-3wbhA:
18.49
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.
3wc3 ENDO-1,
4-BETA-GLUCANASE

(Eisenia fetida) 		PF00759
(Glyco_hydro_9) 		5 ALA A 177
ALA A 180
SER A 201
ALA A 245
ALA A 240
 None
 1.34A 4twdA-3wc3A:
1.9
4twdB-3wc3A:
2.0
4twdC-3wc3A:
undetectable
4twdD-3wc3A:
undetectable
4twdE-3wc3A:
undetectable		 4twdA-3wc3A:
18.34
4twdB-3wc3A:
18.34
4twdC-3wc3A:
18.34
4twdD-3wc3A:
18.34
4twdE-3wc3A:
18.34
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.
4ay7 METHYLCOBALAMIN:
COENZYME M
METHYLTRANSFERASE

(Methanosarcina
mazei) 		PF01208
(URO-D) 		5 ALA A 196
ALA A 192
ALA A 190
SER A 235
ALA A 198
 None
 1.10A 4twdA-4ay7A:
undetectable
4twdB-4ay7A:
undetectable
4twdC-4ay7A:
undetectable
4twdD-4ay7A:
undetectable
4twdE-4ay7A:
undetectable		 4twdA-4ay7A:
22.16
4twdB-4ay7A:
22.16
4twdC-4ay7A:
22.16
4twdD-4ay7A:
22.16
4twdE-4ay7A:
22.16
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.
4bhd SERINE
HYDROXYMETHYLTRANSFE
RASE

(Methanocaldococcus
jannaschii) 		PF00464
(SHMT) 		5 ALA A 264
ALA A  41
ALA A  37
SER A  35
ALA A 267
 None
 1.25A 4twdA-4bhdA:
undetectable
4twdB-4bhdA:
undetectable
4twdC-4bhdA:
undetectable
4twdD-4bhdA:
undetectable
4twdE-4bhdA:
undetectable		 4twdA-4bhdA:
22.35
4twdB-4bhdA:
22.35
4twdC-4bhdA:
22.35
4twdD-4bhdA:
22.35
4twdE-4bhdA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c0w FMN-DEPENDENT
NADH-AZOREDUCTASE 1

(Pseudomonas
putida) 		PF02525
(Flavodoxin_2) 		5 ALA A  73
SER A  76
ALA A  57
ALA A  53
SER A  51
 None
 1.23A 4twdA-4c0wA:
undetectable
4twdB-4c0wA:
undetectable
4twdC-4c0wA:
undetectable
4twdD-4c0wA:
undetectable
4twdE-4c0wA:
undetectable		 4twdA-4c0wA:
19.24
4twdB-4c0wA:
19.24
4twdC-4c0wA:
19.24
4twdD-4c0wA:
19.24
4twdE-4c0wA:
19.24
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.
4dap SUGAR FERMENTATION
STIMULATION PROTEIN
A

(Escherichia
coli) 		PF03749
(SfsA) 		5 ALA A 217
ALA A 225
ALA A  92
SER A  97
ALA A 179
 None
 1.29A 4twdA-4dapA:
undetectable
4twdB-4dapA:
undetectable
4twdC-4dapA:
undetectable
4twdD-4dapA:
undetectable
4twdE-4dapA:
undetectable		 4twdA-4dapA:
23.72
4twdB-4dapA:
23.72
4twdC-4dapA:
23.72
4twdD-4dapA:
23.72
4twdE-4dapA:
23.72
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.
4f32 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Burkholderia
vietnamiensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 245
ALA A  85
ALA A 151
ALA A 353
SER A 175
 None
 1.20A 4twdA-4f32A:
undetectable
4twdB-4f32A:
undetectable
4twdC-4f32A:
undetectable
4twdD-4f32A:
undetectable
4twdE-4f32A:
undetectable		 4twdA-4f32A:
21.69
4twdB-4f32A:
21.69
4twdC-4f32A:
21.69
4twdD-4f32A:
21.69
4twdE-4f32A:
21.69
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.
4fff LEVAN
FRUCTOTRANSFERASE

(Paenarthrobacter
ureafaciens) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ALA A 315
SER A 361
SER A 486
ALA A 317
SER A 342
 None
 1.15A 4twdA-4fffA:
undetectable
4twdB-4fffA:
undetectable
4twdC-4fffA:
undetectable
4twdD-4fffA:
undetectable
4twdE-4fffA:
undetectable		 4twdA-4fffA:
21.26
4twdB-4fffA:
21.26
4twdC-4fffA:
21.26
4twdD-4fffA:
21.26
4twdE-4fffA:
21.26
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.
4fff LEVAN
FRUCTOTRANSFERASE

(Paenarthrobacter
ureafaciens) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ALA A 317
SER A 342
ALA A 315
SER A 361
SER A 486
 None
 1.10A 4twdA-4fffA:
undetectable
4twdB-4fffA:
undetectable
4twdC-4fffA:
undetectable
4twdD-4fffA:
undetectable
4twdE-4fffA:
undetectable		 4twdA-4fffA:
21.26
4twdB-4fffA:
21.26
4twdC-4fffA:
21.26
4twdD-4fffA:
21.26
4twdE-4fffA:
21.26
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.
4fff LEVAN
FRUCTOTRANSFERASE

(Paenarthrobacter
ureafaciens) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 SER A 486
ALA A 317
SER A 342
ALA A 315
SER A 361
 None
 0.99A 4twdA-4fffA:
undetectable
4twdB-4fffA:
undetectable
4twdC-4fffA:
undetectable
4twdD-4fffA:
undetectable
4twdE-4fffA:
undetectable		 4twdA-4fffA:
21.26
4twdB-4fffA:
21.26
4twdC-4fffA:
21.26
4twdD-4fffA:
21.26
4twdE-4fffA:
21.26
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.
4gnr ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN-BRANCHED
CHAIN AMINO ACID
TRANSPORT

(Streptococcus
pneumoniae) 		PF13458
(Peripla_BP_6) 		5 ALA A  55
ALA A  59
SER A 313
ALA A 116
SER A 139
 None
None
None
ILE  A 401 (-4.2A)
ILE  A 401 (-3.8A)
 1.13A 4twdA-4gnrA:
undetectable
4twdB-4gnrA:
undetectable
4twdC-4gnrA:
undetectable
4twdD-4gnrA:
undetectable
4twdE-4gnrA:
undetectable		 4twdA-4gnrA:
21.62
4twdB-4gnrA:
21.62
4twdC-4gnrA:
21.62
4twdD-4gnrA:
21.62
4twdE-4gnrA:
21.62
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.
4gnr ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN-BRANCHED
CHAIN AMINO ACID
TRANSPORT

(Streptococcus
pneumoniae) 		PF13458
(Peripla_BP_6) 		5 ALA A  59
SER A 313
ALA A 116
SER A 139
ALA A  55
 None
None
ILE  A 401 (-4.2A)
ILE  A 401 (-3.8A)
None
 1.21A 4twdA-4gnrA:
undetectable
4twdB-4gnrA:
undetectable
4twdC-4gnrA:
undetectable
4twdD-4gnrA:
undetectable
4twdE-4gnrA:
undetectable		 4twdA-4gnrA:
21.62
4twdB-4gnrA:
21.62
4twdC-4gnrA:
21.62
4twdD-4gnrA:
21.62
4twdE-4gnrA:
21.62
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.
4ia4 AQUAPORIN

(Spinacia
oleracea) 		PF00230
(MIP) 		5 ALA A  41
ALA A  43
SER A  96
ALA A  47
ALA A 125
 None
 1.33A 4twdA-4ia4A:
undetectable
4twdB-4ia4A:
undetectable
4twdC-4ia4A:
undetectable
4twdD-4ia4A:
undetectable
4twdE-4ia4A:
undetectable		 4twdA-4ia4A:
20.36
4twdB-4ia4A:
20.36
4twdC-4ia4A:
20.36
4twdD-4ia4A:
20.36
4twdE-4ia4A:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j07 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Mycobacterium
leprae) 		PF00885
(DMRL_synthase) 		5 ALA A 146
ALA A 143
ALA A  43
SER A  46
ALA A  75
 None
 1.18A 4twdA-4j07A:
undetectable
4twdB-4j07A:
undetectable
4twdC-4j07A:
undetectable
4twdD-4j07A:
undetectable
4twdE-4j07A:
undetectable		 4twdA-4j07A:
21.09
4twdB-4j07A:
21.09
4twdC-4j07A:
21.09
4twdD-4j07A:
21.09
4twdE-4j07A:
21.09
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.
4j5u SERINE
HYDROXYMETHYLTRANSFE
RASE

(Rickettsia
rickettsii) 		PF00464
(SHMT) 		5 ALA A 269
ALA A  46
ALA A  42
SER A  40
ALA A 272
 None
 1.33A 4twdA-4j5uA:
undetectable
4twdB-4j5uA:
undetectable
4twdC-4j5uA:
undetectable
4twdD-4j5uA:
undetectable
4twdE-4j5uA:
undetectable		 4twdA-4j5uA:
23.15
4twdB-4j5uA:
23.15
4twdC-4j5uA:
23.15
4twdD-4j5uA:
23.15
4twdE-4j5uA:
23.15
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.
4kjr CATION EXCHANGER
YFKE

(Bacillus
subtilis) 		PF01699
(Na_Ca_ex) 		5 ALA A 259
SER A 107
ALA A 257
ALA A 253
ALA A 275
 None
 1.31A 4twdA-4kjrA:
3.6
4twdB-4kjrA:
3.9
4twdC-4kjrA:
4.6
4twdD-4kjrA:
3.6
4twdE-4kjrA:
4.5		 4twdA-4kjrA:
23.75
4twdB-4kjrA:
23.75
4twdC-4kjrA:
23.75
4twdD-4kjrA:
23.75
4twdE-4kjrA:
23.75
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.
4mso SERINE
HYDROXYMETHYLTRANSFE
RASE

(Burkholderia
cenocepacia) 		PF00464
(SHMT) 		5 ALA A 268
ALA A  47
ALA A  43
SER A  41
ALA A 271
 None
 1.29A 4twdA-4msoA:
undetectable
4twdB-4msoA:
undetectable
4twdC-4msoA:
undetectable
4twdD-4msoA:
undetectable
4twdE-4msoA:
undetectable		 4twdA-4msoA:
21.22
4twdB-4msoA:
21.22
4twdC-4msoA:
21.22
4twdD-4msoA:
21.22
4twdE-4msoA:
21.22
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.
4r9z UNCHARACTERIZED
PROTEIN

(Mycobacterium
avium) 		PF13622
(4HBT_3) 		5 ALA A  43
ALA A  41
ALA A 193
ALA A 103
SER A 105
 None
 1.32A 4twdA-4r9zA:
undetectable
4twdB-4r9zA:
undetectable
4twdC-4r9zA:
undetectable
4twdD-4r9zA:
undetectable
4twdE-4r9zA:
undetectable		 4twdA-4r9zA:
20.48
4twdB-4r9zA:
20.48
4twdC-4r9zA:
20.48
4twdD-4r9zA:
20.48
4twdE-4r9zA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v0n BARDET-BIEDL
SYNDROME 1 PROTEIN

(Chlamydomonas
reinhardtii) 		PF14779
(BBS1) 		5 ALA B 347
ALA B 391
ALA B 406
SER B 385
ALA B 365
 None
 1.31A 4twdA-4v0nB:
undetectable
4twdB-4v0nB:
undetectable
4twdC-4v0nB:
undetectable
4twdD-4v0nB:
undetectable
4twdE-4v0nB:
undetectable		 4twdA-4v0nB:
21.30
4twdB-4v0nB:
21.30
4twdC-4v0nB:
21.30
4twdD-4v0nB:
21.30
4twdE-4v0nB:
21.30
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.
4wxb SERINE
HYDROXYMETHYLTRANSFE
RASE

(Streptococcus
thermophilus) 		PF00464
(SHMT) 		5 ALA A 263
ALA A  40
ALA A  36
SER A  34
ALA A 266
 None
 1.27A 4twdA-4wxbA:
undetectable
4twdB-4wxbA:
undetectable
4twdC-4wxbA:
undetectable
4twdD-4wxbA:
undetectable
4twdE-4wxbA:
undetectable		 4twdA-4wxbA:
21.56
4twdB-4wxbA:
21.56
4twdC-4wxbA:
21.56
4twdD-4wxbA:
21.56
4twdE-4wxbA:
21.56
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.
4xee NEUROTENSIN RECEPTOR
TYPE 1, ENDOLYSIN
CHIMERA

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ALA A 157
ALA A 155
SER A 112
SER A 108
ALA A 161
 None
 1.14A 4twdA-4xeeA:
3.1
4twdB-4xeeA:
2.8
4twdC-4xeeA:
3.0
4twdD-4xeeA:
2.9
4twdE-4xeeA:
3.0		 4twdA-4xeeA:
18.39
4twdB-4xeeA:
18.39
4twdC-4xeeA:
18.39
4twdD-4xeeA:
18.39
4twdE-4xeeA:
18.39
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.
4xee NEUROTENSIN RECEPTOR
TYPE 1, ENDOLYSIN
CHIMERA

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ALA A 161
ALA A 157
ALA A 155
SER A 112
SER A 108
 None
 1.04A 4twdA-4xeeA:
3.1
4twdB-4xeeA:
2.8
4twdC-4xeeA:
3.0
4twdD-4xeeA:
2.9
4twdE-4xeeA:
3.0		 4twdA-4xeeA:
18.39
4twdB-4xeeA:
18.39
4twdC-4xeeA:
18.39
4twdD-4xeeA:
18.39
4twdE-4xeeA:
18.39
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.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		5 ALA A 838
SER A 873
ALA A 834
SER A 877
ALA A 840
 None
 1.23A 4twdA-4zhjA:
undetectable
4twdB-4zhjA:
undetectable
4twdC-4zhjA:
undetectable
4twdD-4zhjA:
undetectable
4twdE-4zhjA:
undetectable		 4twdA-4zhjA:
12.84
4twdB-4zhjA:
12.84
4twdC-4zhjA:
12.84
4twdD-4zhjA:
12.84
4twdE-4zhjA:
12.84
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.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		5 ALA A 840
ALA A 838
SER A 873
ALA A 834
SER A 877
 None
 1.21A 4twdA-4zhjA:
undetectable
4twdB-4zhjA:
undetectable
4twdC-4zhjA:
undetectable
4twdD-4zhjA:
undetectable
4twdE-4zhjA:
undetectable		 4twdA-4zhjA:
12.84
4twdB-4zhjA:
12.84
4twdC-4zhjA:
12.84
4twdD-4zhjA:
12.84
4twdE-4zhjA:
12.84
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.
5a2o NITRATE TRANSPORTER
1.1

(Arabidopsis
thaliana) 		PF00854
(PTR2) 		5 ALA A 227
ALA A 225
ALA A 110
ALA A 231
SER A 233
 None
 1.24A 4twdA-5a2oA:
1.5
4twdB-5a2oA:
1.6
4twdC-5a2oA:
1.7
4twdD-5a2oA:
1.7
4twdE-5a2oA:
1.7		 4twdA-5a2oA:
19.55
4twdB-5a2oA:
19.55
4twdC-5a2oA:
19.55
4twdD-5a2oA:
19.55
4twdE-5a2oA:
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.
5cwi DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 5 ALA A  94
ALA A  33
ALA A  37
SER A 102
ALA A  97
 None
 1.27A 4twdA-5cwiA:
4.2
4twdB-5cwiA:
3.0
4twdC-5cwiA:
4.1
4twdD-5cwiA:
4.2
4twdE-5cwiA:
3.9		 4twdA-5cwiA:
18.10
4twdB-5cwiA:
18.10
4twdC-5cwiA:
18.10
4twdD-5cwiA:
18.10
4twdE-5cwiA:
18.10
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.
5cwi DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 5 ALA A 145
ALA A 142
ALA A  81
ALA A  93
SER A  91
 None
 1.25A 4twdA-5cwiA:
4.2
4twdB-5cwiA:
3.0
4twdC-5cwiA:
4.1
4twdD-5cwiA:
4.2
4twdE-5cwiA:
3.9		 4twdA-5cwiA:
18.10
4twdB-5cwiA:
18.10
4twdC-5cwiA:
18.10
4twdD-5cwiA:
18.10
4twdE-5cwiA:
18.10
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.
5cwq DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 5 ALA A  99
ALA A  37
ALA A  39
SER A  24
ALA A  44
 None
 1.32A 4twdA-5cwqA:
5.8
4twdB-5cwqA:
6.0
4twdC-5cwqA:
6.1
4twdD-5cwqA:
6.1
4twdE-5cwqA:
5.7		 4twdA-5cwqA:
18.71
4twdB-5cwqA:
18.71
4twdC-5cwqA:
18.71
4twdD-5cwqA:
18.71
4twdE-5cwqA:
18.71
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.
5fr8 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ALA A 463
SER A 445
ALA A 465
ALA A 147
ALA A 139
 None
 1.26A 4twdA-5fr8A:
undetectable
4twdB-5fr8A:
undetectable
4twdC-5fr8A:
undetectable
4twdD-5fr8A:
undetectable
4twdE-5fr8A:
undetectable		 4twdA-5fr8A:
20.06
4twdB-5fr8A:
20.06
4twdC-5fr8A:
20.06
4twdD-5fr8A:
20.06
4twdE-5fr8A:
20.06
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT

(Escherichia
coli) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 ALA B 257
ALA B 245
SER B 243
ALA B  94
SER B 163
 None
None
None
None
FAD  B 321 (-3.8A)
 1.30A 4twdA-5g5gB:
undetectable
4twdB-5g5gB:
undetectable
4twdC-5g5gB:
undetectable
4twdD-5g5gB:
undetectable
4twdE-5g5gB:
undetectable		 4twdA-5g5gB:
22.88
4twdB-5g5gB:
22.88
4twdC-5g5gB:
22.88
4twdD-5g5gB:
22.88
4twdE-5g5gB:
22.88
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.
5gkx UNCHARACTERIZED
PROTEIN

(Thermococcus
onnurineus) 		PF14336
(DUF4392) 		5 ALA A  68
ALA A  72
ALA A 207
SER A 208
ALA A 200
 None
 1.31A 4twdA-5gkxA:
undetectable
4twdB-5gkxA:
undetectable
4twdC-5gkxA:
undetectable
4twdD-5gkxA:
undetectable
4twdE-5gkxA:
undetectable		 4twdA-5gkxA:
21.90
4twdB-5gkxA:
21.90
4twdC-5gkxA:
21.90
4twdD-5gkxA:
21.90
4twdE-5gkxA:
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.
5jhw FOLLISTATIN

(Homo sapiens) 		PF07648
(Kazal_2)
PF09289
(FOLN) 		5 ALA C 256
SER C 257
ALA C 260
ALA C 271
SER C 275
 None
 1.34A 4twdA-5jhwC:
undetectable
4twdB-5jhwC:
undetectable
4twdC-5jhwC:
undetectable
4twdD-5jhwC:
undetectable
4twdE-5jhwC:
undetectable		 4twdA-5jhwC:
18.46
4twdB-5jhwC:
18.46
4twdC-5jhwC:
18.46
4twdD-5jhwC:
18.46
4twdE-5jhwC:
18.46
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.
5jzx UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 ALA A 233
ALA A 229
ALA A 225
SER A 205
ALA A 216
 None
 1.31A 4twdA-5jzxA:
undetectable
4twdB-5jzxA:
undetectable
4twdC-5jzxA:
undetectable
4twdD-5jzxA:
undetectable
4twdE-5jzxA:
undetectable		 4twdA-5jzxA:
22.01
4twdB-5jzxA:
22.01
4twdC-5jzxA:
22.01
4twdD-5jzxA:
22.01
4twdE-5jzxA:
22.01
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.
5txr 5-AMINOLEVULINATE
SYNTHASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		no annotation 5 ALA B 377
SER B 341
ALA B 375
ALA B 135
ALA B 380
 None
 1.28A 4twdA-5txrB:
undetectable
4twdB-5txrB:
undetectable
4twdC-5txrB:
undetectable
4twdD-5txrB:
undetectable
4twdE-5txrB:
undetectable		 4twdA-5txrB:
12.04
4twdB-5txrB:
12.04
4twdC-5txrB:
12.04
4twdD-5txrB:
12.04
4twdE-5txrB:
12.04
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.
5v7i SERINE
HYDROXYMETHYLTRANSFE
RASE, MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 ALA A 333
ALA A  87
ALA A  83
SER A  81
ALA A 336
 None
 1.30A 4twdA-5v7iA:
undetectable
4twdB-5v7iA:
undetectable
4twdC-5v7iA:
undetectable
4twdD-5v7iA:
undetectable
4twdE-5v7iA:
undetectable		 4twdA-5v7iA:
19.71
4twdB-5v7iA:
19.71
4twdC-5v7iA:
19.71
4twdD-5v7iA:
19.71
4twdE-5v7iA:
19.71
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.
5vis DIHYDROPTEROATE
SYNTHASE

(soil metagenome) 		PF00809
(Pterin_bind) 		5 ALA A 101
ALA A  96
ALA A  93
ALA A 125
SER A 123
 None
 1.05A 4twdA-5visA:
undetectable
4twdB-5visA:
undetectable
4twdC-5visA:
undetectable
4twdD-5visA:
undetectable
4twdE-5visA:
undetectable		 4twdA-5visA:
21.52
4twdB-5visA:
21.52
4twdC-5visA:
21.52
4twdD-5visA:
21.52
4twdE-5visA:
21.52
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.
5vm1 XYLULOKINASE

(Brucella ovis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ALA A 429
ALA A 238
ALA A 282
SER A 170
ALA A 230
 None
 1.34A 4twdA-5vm1A:
undetectable
4twdB-5vm1A:
undetectable
4twdC-5vm1A:
undetectable
4twdD-5vm1A:
undetectable
4twdE-5vm1A:
undetectable		 4twdA-5vm1A:
20.82
4twdB-5vm1A:
20.82
4twdC-5vm1A:
20.82
4twdD-5vm1A:
20.82
4twdE-5vm1A:
20.82
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.
5vmb SERINE
HYDROXYMETHYLTRANSFE
RASE

(Acinetobacter
baumannii) 		PF00464
(SHMT) 		5 ALA A 269
ALA A  45
ALA A  41
SER A  39
ALA A 272
 None
 1.34A 4twdA-5vmbA:
undetectable
4twdB-5vmbA:
undetectable
4twdC-5vmbA:
undetectable
4twdD-5vmbA:
undetectable
4twdE-5vmbA:
undetectable		 4twdA-5vmbA:
20.23
4twdB-5vmbA:
20.23
4twdC-5vmbA:
20.23
4twdD-5vmbA:
20.23
4twdE-5vmbA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yud BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 1E
PHASE 2
FLAGELLIN,FLAGELLIN

(Mus musculus;
Salmonella
enterica) 		no annotation 5 ALA C 442
ALA C 439
SER A 855
ALA C 444
SER A 852
 None
 1.26A 4twdA-5yudC:
2.9
4twdB-5yudC:
2.6
4twdC-5yudC:
2.5
4twdD-5yudC:
2.1
4twdE-5yudC:
2.6		 4twdA-5yudC:
14.44
4twdB-5yudC:
14.44
4twdC-5yudC:
14.44
4twdD-5yudC:
14.44
4twdE-5yudC:
14.44
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.
6co7 PREDICTED PROTEIN

(Nematostella
vectensis) 		no annotation 5 ALA A 608
ALA A 679
SER A 688
ALA A 610
SER A 614
 None
 1.04A 4twdA-6co7A:
3.2
4twdB-6co7A:
3.9
4twdC-6co7A:
3.1
4twdD-6co7A:
2.3
4twdE-6co7A:
3.1		 4twdA-6co7A:
11.73
4twdB-6co7A:
11.73
4twdC-6co7A:
11.73
4twdD-6co7A:
11.73
4twdE-6co7A:
11.73
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.
6epd PROTEASOME SUBUNIT
BETA TYPE-6

(Rattus
norvegicus) 		no annotation 5 ALA 1 194
SER 1  51
ALA 1  38
SER 1 163
ALA 1 196
 None
 1.34A 4twdA-6epd1:
undetectable
4twdB-6epd1:
undetectable
4twdC-6epd1:
undetectable
4twdD-6epd1:
undetectable
4twdE-6epd1:
undetectable		 4twdA-6epd1:
13.13
4twdB-6epd1:
13.13
4twdC-6epd1:
13.13
4twdD-6epd1:
13.13
4twdE-6epd1:
13.13
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.
6epd PROTEASOME SUBUNIT
BETA TYPE-6

(Rattus
norvegicus) 		no annotation 5 ALA 1 196
ALA 1 194
SER 1  51
ALA 1  38
SER 1 163
 None
 1.34A 4twdA-6epd1:
undetectable
4twdB-6epd1:
undetectable
4twdC-6epd1:
undetectable
4twdD-6epd1:
undetectable
4twdE-6epd1:
undetectable		 4twdA-6epd1:
13.13
4twdB-6epd1:
13.13
4twdC-6epd1:
13.13
4twdD-6epd1:
13.13
4twdE-6epd1:
13.13