SIMILAR PATTERNS OF AMINO ACIDS FOR 4QVV_K_BO2K301_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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bdg HEXOKINASE

(Schistosoma
mansoni) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 THR A 210
GLY A 233
GLY A 231
VAL A 230
 GLC  A 501 ( 4.3A)
GLC  A 501 (-3.7A)
SO4  A 502 ( 3.9A)
None
 0.75A 4qvvK-1bdgA:
undetectable
4qvvL-1bdgA:
undetectable		 4qvvK-1bdgA:
19.95
4qvvL-1bdgA:
17.84
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.
1e32 P97

(Mus musculus) 		PF00004
(AAA)
PF02359
(CDC48_N)
PF02933
(CDC48_2) 		4 THR A 249
GLY A 208
GLY A 207
VAL A 206
 ADP  A 800 (-4.5A)
None
ADP  A 800 (-4.0A)
ADP  A 800 (-4.0A)
 0.80A 4qvvK-1e32A:
undetectable
4qvvL-1e32A:
undetectable		 4qvvK-1e32A:
16.38
4qvvL-1e32A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 THR B 272
GLY B 281
GLY B 280
ASP B 362
 None
None
None
HAE  B 800 ( 2.5A)
 0.84A 4qvvK-1e9yB:
undetectable
4qvvL-1e9yB:
undetectable		 4qvvK-1e9yB:
17.51
4qvvL-1e9yB:
17.33
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.
1g38 MODIFICATION
METHYLASE TAQI

(Thermus
aquaticus) 		PF07669
(Eco57I)
PF12950
(TaqI_C) 		4 LYS A 186
GLY A 157
GLY A 158
VAL A 159
 None
 0.74A 4qvvK-1g38A:
undetectable
4qvvL-1g38A:
undetectable		 4qvvK-1g38A:
19.40
4qvvL-1g38A:
20.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 THR H   1
THR H  21
LYS H  33
GLY H  47
VAL H  49
 CIB  H1001 (-1.9A)
CIB  H1001 (-4.5A)
CIB  H1001 (-4.0A)
CIB  H1001 (-4.4A)
CIB  H1001 (-4.0A)
 0.36A 4qvvK-1j2qH:
29.4
4qvvL-1j2qH:
24.8		 4qvvK-1j2qH:
30.84
4qvvL-1j2qH:
26.36
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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		4 THR A 825
GLY A 648
GLY A 649
VAL A 645
 None
 0.66A 4qvvK-1jqoA:
undetectable
4qvvL-1jqoA:
undetectable		 4qvvK-1jqoA:
12.20
4qvvL-1jqoA:
13.85
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.
1nu5 CHLOROMUCONATE
CYCLOISOMERASE

(Pseudomonas sp.
P51) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 THR A  62
GLY A  48
GLY A  47
VAL A  32
 None
 0.68A 4qvvK-1nu5A:
undetectable
4qvvL-1nu5A:
undetectable		 4qvvK-1nu5A:
23.48
4qvvL-1nu5A:
18.77
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.
1ofi ATP-DEPENDENT
PROTEASE HSLV

(Haemophilus
influenzae) 		PF00227
(Proteasome) 		4 THR G   1
LYS G  33
GLY G  48
GLY G  49
 LVS  G   0 (-2.3A)
LVS  G   0 (-3.6A)
LVS  G   0 (-3.4A)
LVS  G   0 ( 4.0A)
 0.46A 4qvvK-1ofiG:
20.1
4qvvL-1ofiG:
17.1		 4qvvK-1ofiG:
25.23
4qvvL-1ofiG:
24.23
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.
1pgj 6-PHOSPHOGLUCONATE
DEHYDROGENASE

(Trypanosoma
brucei) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		4 THR A 102
THR A  82
GLY A   8
VAL A   7
 None
 0.69A 4qvvK-1pgjA:
undetectable
4qvvL-1pgjA:
undetectable		 4qvvK-1pgjA:
18.37
4qvvL-1pgjA:
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		4 THR H   1
THR H  21
LYS H  33
GLY H  47
 None
 0.43A 4qvvK-1q5qH:
26.2
4qvvL-1q5qH:
22.6		 4qvvK-1q5qH:
28.10
4qvvL-1q5qH:
24.50
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.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 THR A 136
GLY A 155
VAL A 154
ASP A 506
 None
 0.73A 4qvvK-1r8wA:
undetectable
4qvvL-1r8wA:
undetectable		 4qvvK-1r8wA:
13.78
4qvvL-1r8wA:
15.25
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.
1sbp SULFATE-BINDING
PROTEIN

(Salmonella
enterica) 		PF13531
(SBP_bac_11) 		4 THR A  62
GLY A  43
GLY A  44
ASP A  68
 None
None
SO4  A 311 (-3.5A)
None
 0.83A 4qvvK-1sbpA:
undetectable
4qvvL-1sbpA:
undetectable		 4qvvK-1sbpA:
21.41
4qvvL-1sbpA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tvp CELLULASE

(Pseudoalteromonas
haloplanktis) 		PF00150
(Cellulase) 		4 THR A 278
GLY A 232
GLY A 233
VAL A 234
 None
 0.76A 4qvvK-1tvpA:
undetectable
4qvvL-1tvpA:
undetectable		 4qvvK-1tvpA:
22.82
4qvvL-1tvpA:
19.26
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.
1ve5 THREONINE DEAMINASE

(Thermus
thermophilus) 		PF00291
(PALP) 		4 THR A 242
GLY A 179
GLY A 178
VAL A 177
 None
PLP  A 413 (-3.6A)
PLP  A 413 (-3.3A)
PLP  A 413 ( 4.4A)
 0.84A 4qvvK-1ve5A:
undetectable
4qvvL-1ve5A:
undetectable		 4qvvK-1ve5A:
21.41
4qvvL-1ve5A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wjw PHOSPHOACETYLGLUCOSA
MINE MUTASE

(Mus musculus) 		PF00408
(PGM_PMM_IV) 		4 THR A  31
GLY A  98
GLY A  99
VAL A  22
 None
 0.72A 4qvvK-1wjwA:
undetectable
4qvvL-1wjwA:
undetectable		 4qvvK-1wjwA:
20.28
4qvvL-1wjwA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xew SMC PROTEIN

(Pyrococcus
furiosus) 		PF02463
(SMC_N) 		4 THR X 149
MET Y1069
GLY Y1071
GLY Y1072
 None
 0.75A 4qvvK-1xewX:
undetectable
4qvvL-1xewX:
undetectable		 4qvvK-1xewX:
22.81
4qvvL-1xewX:
21.15
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.
2b3o TYROSINE-PROTEIN
PHOSPHATASE,
NON-RECEPTOR TYPE 6

(Homo sapiens) 		PF00017
(SH2)
PF00102
(Y_phosphatase) 		4 THR A 177
GLY A 173
GLY A 174
ASP A 185
 None
 0.72A 4qvvK-2b3oA:
undetectable
4qvvL-2b3oA:
undetectable		 4qvvK-2b3oA:
16.89
4qvvL-2b3oA:
16.92
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.
2bx7 DIHYDROOROTATE
DEHYDROGENASE

(Lactococcus
lactis) 		PF01180
(DHO_dh) 		4 THR A 248
GLY A 220
GLY A 221
ASP A 256
 FMN  A1312 (-4.2A)
FMN  A1312 ( 3.8A)
FMN  A1312 (-3.6A)
None
 0.72A 4qvvK-2bx7A:
undetectable
4qvvL-2bx7A:
undetectable		 4qvvK-2bx7A:
21.47
4qvvL-2bx7A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2chr CHLOROMUCONATE
CYCLOISOMERASE

(Cupriavidus
necator) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 THR A  62
GLY A  48
GLY A  47
VAL A  32
 None
 0.83A 4qvvK-2chrA:
undetectable
4qvvL-2chrA:
undetectable		 4qvvK-2chrA:
20.28
4qvvL-2chrA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dej PROBABLE
GALACTOKINASE

(Pyrococcus
horikoshii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 THR A 115
GLY A  87
GLY A  86
VAL A  85
 None
 0.76A 4qvvK-2dejA:
undetectable
4qvvL-2dejA:
undetectable		 4qvvK-2dejA:
23.46
4qvvL-2dejA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2exr CYTOKININ
DEHYDROGENASE 7

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		4 THR A 188
GLY A 220
GLY A 221
VAL A 218
 None
 0.81A 4qvvK-2exrA:
undetectable
4qvvL-2exrA:
undetectable		 4qvvK-2exrA:
16.86
4qvvL-2exrA:
18.36
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 4 THR H 301
THR H 321
LYS H 333
GLY H 347
 None
 0.58A 4qvvK-2fhgH:
25.6
4qvvL-2fhgH:
22.4		 4qvvK-2fhgH:
28.11
4qvvL-2fhgH:
23.57
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.
2i0s AROMATIC AMINE
DEHYDROGENASE

(Alcaligenes
faecalis) 		PF06433
(Me-amine-dh_H) 		4 GLY A 432
GLY A 431
VAL A 430
ASP A 385
 None
 0.80A 4qvvK-2i0sA:
undetectable
4qvvL-2i0sA:
undetectable		 4qvvK-2i0sA:
21.35
4qvvL-2i0sA:
20.12
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.
2ipi ACLACINOMYCIN
OXIDOREDUCTASE
(AKNOX)

(Streptomyces
galilaeus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 THR A 336
THR A 408
GLY A  31
ASP A 415
 AKY  A 601 (-4.5A)
AKY  A 601 (-2.8A)
None
None
 0.80A 4qvvK-2ipiA:
undetectable
4qvvL-2ipiA:
undetectable		 4qvvK-2ipiA:
16.70
4qvvL-2ipiA:
17.88
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.
2kki INTERLEUKIN-1 ALPHA

(Homo sapiens) 		PF00340
(IL1) 		4 THR A 150
GLY A 145
GLY A 144
ASP A  85
 None
 0.60A 4qvvK-2kkiA:
undetectable
4qvvL-2kkiA:
undetectable		 4qvvK-2kkiA:
20.98
4qvvL-2kkiA:
20.98
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 4 THR A 240
GLY A 210
GLY A 209
ASP A 157
 None
None
None
CA  A 621 (-2.1A)
 0.67A 4qvvK-2quaA:
undetectable
4qvvL-2quaA:
undetectable		 4qvvK-2quaA:
17.91
4qvvL-2quaA:
16.98
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.
2qw5 XYLOSE
ISOMERASE-LIKE TIM
BARREL

(Trichormus
variabilis) 		PF01261
(AP_endonuc_2) 		4 THR A  85
GLY A 122
GLY A 121
ASP A  74
 None
 0.84A 4qvvK-2qw5A:
undetectable
4qvvL-2qw5A:
undetectable		 4qvvK-2qw5A:
20.06
4qvvL-2qw5A:
20.35
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.
2rag DIPEPTIDASE

(Caulobacter
vibrioides) 		PF01244
(Peptidase_M19) 		4 THR A  49
GLY A  89
GLY A  88
ASP A 372
 None
 0.83A 4qvvK-2ragA:
undetectable
4qvvL-2ragA:
undetectable		 4qvvK-2ragA:
20.38
4qvvL-2ragA:
19.80
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.
2rag DIPEPTIDASE

(Caulobacter
vibrioides) 		PF01244
(Peptidase_M19) 		4 THR A  49
THR A 380
GLY A  89
GLY A  88
 None
 0.79A 4qvvK-2ragA:
undetectable
4qvvL-2ragA:
undetectable		 4qvvK-2ragA:
20.38
4qvvL-2ragA:
19.80
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.
2v9u MSPA

(Mycolicibacterium
smegmatis) 		PF09203
(MspA) 		4 THR A 152
GLY A 156
GLY A 157
VAL A 158
 THR  A 152 ( 0.8A)
GLY  A 156 ( 0.0A)
GLY  A 157 ( 0.0A)
VAL  A 158 ( 0.6A)
 0.74A 4qvvK-2v9uA:
undetectable
4qvvL-2v9uA:
undetectable		 4qvvK-2v9uA:
22.86
4qvvL-2v9uA:
20.80
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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 THR A 360
GLY A 379
GLY A 381
ASP A 506
 None
None
THM  A6510 (-3.6A)
None
 0.74A 4qvvK-2z1aA:
undetectable
4qvvL-2z1aA:
undetectable		 4qvvK-2z1aA:
17.80
4qvvL-2z1aA:
17.33
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.
2z8e GALACTO-N-BIOSE/LACT
O-N-BIOSE I
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bifidobacterium
longum) 		PF01547
(SBP_bac_1) 		4 THR A 124
GLY A 146
GLY A 145
VAL A 144
 None
 0.83A 4qvvK-2z8eA:
undetectable
4qvvL-2z8eA:
undetectable		 4qvvK-2z8eA:
20.53
4qvvL-2z8eA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zbt PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Thermus
thermophilus) 		PF01680
(SOR_SNZ) 		4 THR A 151
GLY A 216
GLY A 217
VAL A 160
 None
MPD  A 903 (-3.6A)
None
None
 0.83A 4qvvK-2zbtA:
undetectable
4qvvL-2zbtA:
undetectable		 4qvvK-2zbtA:
23.86
4qvvL-2zbtA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d33 DOMAIN OF UNKNOWN
FUNCTION WITH AN
IMMUNOGLOBULIN-LIKE
BETA-SANDWICH FOLD

(Bacteroides
vulgatus) 		PF11589
(DUF3244) 		4 LYS A 116
GLY A  87
GLY A  88
VAL A  89
 None
 0.71A 4qvvK-3d33A:
undetectable
4qvvL-3d33A:
undetectable		 4qvvK-3d33A:
18.89
4qvvL-3d33A:
18.50
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.
3dm9 SIGNAL RECOGNITION
PARTICLE RECEPTOR

(Pyrococcus
furiosus) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		4 THR B 213
THR B 137
GLY B 130
VAL B 242
 None
PO4  B 323 (-3.6A)
None
None
 0.82A 4qvvK-3dm9B:
undetectable
4qvvL-3dm9B:
undetectable		 4qvvK-3dm9B:
19.46
4qvvL-3dm9B:
20.92
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.
3dxx TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		4 LYS A 199
GLY A 172
GLY A 173
VAL A 174
 None
 0.72A 4qvvK-3dxxA:
undetectable
4qvvL-3dxxA:
undetectable		 4qvvK-3dxxA:
23.05
4qvvL-3dxxA:
21.10
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.
3fbg PUTATIVE ARGINATE
LYASE

(Staphylococcus
haemolyticus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 THR A 166
GLY A 159
GLY A 160
VAL A 161
 None
 0.78A 4qvvK-3fbgA:
undetectable
4qvvL-3fbgA:
undetectable		 4qvvK-3fbgA:
21.07
4qvvL-3fbgA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fc7 HTR-LIKE PROTEIN

(Haloarcula
marismortui) 		PF08448
(PAS_4) 		4 THR A 241
GLY A 214
GLY A 213
VAL A 212
 None
 0.76A 4qvvK-3fc7A:
undetectable
4qvvL-3fc7A:
undetectable		 4qvvK-3fc7A:
22.48
4qvvL-3fc7A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gi8 UNCHARACTERIZED
PROTEIN MJ0609

(Methanocaldococcus
jannaschii) 		PF13520
(AA_permease_2) 		4 THR C  60
GLY C 371
GLY C 370
VAL C 369
 None
 0.77A 4qvvK-3gi8C:
undetectable
4qvvL-3gi8C:
undetectable		 4qvvK-3gi8C:
19.03
4qvvL-3gi8C:
21.12
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.
3h7l ENDOGLUCANASE

(Vibrio
parahaemolyticus) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		4 THR A 163
GLY A 137
GLY A 136
ASP A 133
 None
 0.80A 4qvvK-3h7lA:
undetectable
4qvvL-3h7lA:
undetectable		 4qvvK-3h7lA:
16.72
4qvvL-3h7lA:
18.18
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.
3hbd CLASS IV CHITINASE
CHIA4-PA2

(Picea abies) 		PF00182
(Glyco_hydro_19) 		4 LYS A  99
GLY A  51
GLY A  50
VAL A  49
 None
 0.82A 4qvvK-3hbdA:
undetectable
4qvvL-3hbdA:
undetectable		 4qvvK-3hbdA:
22.45
4qvvL-3hbdA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i3v PROBABLE SECRETED
SOLUTE-BINDING
LIPOPROTEIN

(Streptomyces
coelicolor) 		PF01547
(SBP_bac_1) 		4 THR A 353
GLY A 374
VAL A 373
ASP A 358
 None
 0.80A 4qvvK-3i3vA:
undetectable
4qvvL-3i3vA:
undetectable		 4qvvK-3i3vA:
20.66
4qvvL-3i3vA:
22.29
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.
3jtl PROTEASOME SUBUNIT
BETA

(Thermoplasma
acidophilum) 		PF00227
(Proteasome) 		5 THR H   1
THR H  21
LYS H  33
GLY H  47
VAL H  49
 None
 0.42A 4qvvK-3jtlH:
29.3
4qvvL-3jtlH:
25.7		 4qvvK-3jtlH:
27.70
4qvvL-3jtlH:
21.98
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.
3jyo QUINATE/SHIKIMATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF08501
(Shikimate_dh_N) 		4 GLY A 136
GLY A 137
VAL A 138
ASP A 110
 NAD  A 377 (-3.4A)
NAD  A 377 (-3.7A)
NAD  A 377 (-3.8A)
None
 0.81A 4qvvK-3jyoA:
undetectable
4qvvL-3jyoA:
undetectable		 4qvvK-3jyoA:
21.00
4qvvL-3jyoA:
23.89
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.
3kzh PROBABLE SUGAR
KINASE

(Clostridium
perfringens) 		PF00294
(PfkB) 		5 THR A 293
GLY A  42
GLY A  43
VAL A  44
ASP A 143
 None
 1.23A 4qvvK-3kzhA:
undetectable
4qvvL-3kzhA:
undetectable		 4qvvK-3kzhA:
19.12
4qvvL-3kzhA:
19.28
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.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 4 THR N   1
THR N  21
LYS N  33
GLY N  47
 None
 0.52A 4qvvK-3mg6N:
29.0
4qvvL-3mg6N:
25.4		 4qvvK-3mg6N:
26.70
4qvvL-3mg6N:
23.11
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.
3oaj PUTATIVE
RING-CLEAVING
DIOXYGENASE MHQO

(Bacillus
subtilis) 		PF00903
(Glyoxalase) 		4 THR A  23
GLY A  17
VAL A  16
ASP A 121
 None
 0.84A 4qvvK-3oajA:
undetectable
4qvvL-3oajA:
undetectable		 4qvvK-3oajA:
21.84
4qvvL-3oajA:
19.30
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.
3oix DIHYDROOROTATE
OXIDASE
PUTATIVE
DIHYDROOROTATE
DEHYDROGENASE

(Streptococcus
mutans) 		PF01180
(DHO_dh) 		4 THR A 247
GLY A 219
GLY A 220
ASP A 255
 FMN  A 400 (-4.0A)
FMN  A 400 (-3.7A)
FMN  A 400 (-3.4A)
MLY  A 251 ( 3.9A)
 0.76A 4qvvK-3oixA:
undetectable
4qvvL-3oixA:
undetectable		 4qvvK-3oixA:
22.04
4qvvL-3oixA:
23.86
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.
3pzy MOG

(Mycobacterium
avium) 		PF00994
(MoCF_biosynth) 		4 THR A  13
GLY A  71
GLY A  70
ASP A  22
 None
 0.65A 4qvvK-3pzyA:
undetectable
4qvvL-3pzyA:
undetectable		 4qvvK-3pzyA:
21.96
4qvvL-3pzyA:
24.34
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.
3rwl CYTOCHROME P450
ALKANE HYDROXYLASE 1
CYP153A7

(Sphingopyxis
macrogoltabida) 		PF00067
(p450) 		4 THR A 160
THR A 179
GLY A 256
GLY A 255
 None
None
HEM  A 417 (-3.3A)
HEM  A 417 (-4.0A)
 0.74A 4qvvK-3rwlA:
undetectable
4qvvL-3rwlA:
undetectable		 4qvvK-3rwlA:
19.16
4qvvL-3rwlA:
19.26
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.
3soz CYTOPLASMIC PROTEIN
STM1381

(Salmonella
enterica) 		PF07090
(GATase1_like) 		4 THR A 204
GLY A 108
GLY A 109
VAL A 105
 None
 0.72A 4qvvK-3sozA:
undetectable
4qvvL-3sozA:
undetectable		 4qvvK-3sozA:
21.09
4qvvL-3sozA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tdf DIHYDRODIPICOLINATE
SYNTHASE

(Acinetobacter
baumannii) 		PF00701
(DHDPS) 		4 THR A  50
GLY A  17
GLY A  18
VAL A  19
 None
 0.73A 4qvvK-3tdfA:
undetectable
4qvvL-3tdfA:
undetectable		 4qvvK-3tdfA:
21.50
4qvvL-3tdfA:
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.
3tdp FORMATE/NITRITE
TRANSPORTER

(Clostridioides
difficile) 		PF01226
(Form_Nir_trans) 		4 THR A 234
GLY A 241
GLY A 240
VAL A 239
 None
 0.72A 4qvvK-3tdpA:
undetectable
4qvvL-3tdpA:
undetectable		 4qvvK-3tdpA:
22.66
4qvvL-3tdpA:
23.76
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.
3ufk UNDA

(Shewanella sp.
HRCR_06) 		PF13435
(Cytochrome_C554) 		4 THR A 817
GLY A 806
GLY A 807
VAL A 808
 None
None
HEC  A 911 ( 4.0A)
None
 0.75A 4qvvK-3ufkA:
undetectable
4qvvL-3ufkA:
undetectable		 4qvvK-3ufkA:
12.90
4qvvL-3ufkA:
14.25
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.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		4 THR H   1
THR H  21
LYS H  33
GLY H  47
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
04C  H 301 (-3.5A)
04C  H 301 (-3.7A)
 0.49A 4qvvK-3unfH:
30.4
4qvvL-3unfH:
25.6		 4qvvK-3unfH:
25.74
4qvvL-3unfH:
25.10
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.
3vis ESTERASE

(Thermobifida
alba) 		PF12740
(Chlorophyllase2) 		4 THR A 102
GLY A  78
GLY A  77
ASP A 130
 None
 0.84A 4qvvK-3visA:
undetectable
4qvvL-3visA:
undetectable		 4qvvK-3visA:
22.07
4qvvL-3visA:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		4 THR L   1
LYS L  33
GLY L  47
GLY L  48
 None
 0.42A 4qvvK-3wxrL:
38.2
4qvvL-3wxrL:
23.2		 4qvvK-3wxrL:
99.53
4qvvL-3wxrL:
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.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 THR A1242
GLY A1247
GLY A1246
VAL A1245
 None
 0.82A 4qvvK-4amcA:
undetectable
4qvvL-4amcA:
undetectable		 4qvvK-4amcA:
12.24
4qvvL-4amcA:
14.38
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.
4b90 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 THR A  86
GLY A  93
GLY A  92
VAL A  91
 None
 0.82A 4qvvK-4b90A:
undetectable
4qvvL-4b90A:
undetectable		 4qvvK-4b90A:
17.45
4qvvL-4b90A:
17.69
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.
4cu5 ENDOLYSIN

(Clostridium
virus phiCD27) 		no annotation 4 THR A 260
GLY A 235
GLY A 236
ASP A 218
 None
 0.83A 4qvvK-4cu5A:
undetectable
4qvvL-4cu5A:
undetectable		 4qvvK-4cu5A:
16.67
4qvvL-4cu5A:
15.84
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.
4dbe OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Sulfolobus
solfataricus) 		PF00215
(OMPdecase) 		4 THR A 150
GLY A 143
GLY A 142
VAL A 141
 None
 0.80A 4qvvK-4dbeA:
undetectable
4qvvL-4dbeA:
undetectable		 4qvvK-4dbeA:
23.11
4qvvL-4dbeA:
24.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dyu DNA PROTECTION
DURING STARVATION
PROTEIN

(Yersinia pestis) 		PF00210
(Ferritin) 		4 THR A  17
GLY A  88
GLY A  89
VAL A  85
 None
 0.79A 4qvvK-4dyuA:
undetectable
4qvvL-4dyuA:
undetectable		 4qvvK-4dyuA:
20.96
4qvvL-4dyuA:
21.15
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.
4e9l ATTACHING AND
EFFACING PROTEIN,
PATHOGENESIS FACTOR

(Escherichia
coli) 		PF09134
(Invasin_D3) 		4 GLY A 701
GLY A 700
VAL A 699
ASP A 814
 None
 0.81A 4qvvK-4e9lA:
undetectable
4qvvL-4e9lA:
undetectable		 4qvvK-4e9lA:
21.36
4qvvL-4e9lA:
22.41
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.
4fo0 ACTIN-RELATED
PROTEIN 8

(Homo sapiens) 		PF00022
(Actin) 		4 THR A 574
GLY A 541
GLY A 540
ASP A 580
 None
ATP  A 702 (-3.8A)
ATP  A 702 (-3.1A)
None
 0.79A 4qvvK-4fo0A:
undetectable
4qvvL-4fo0A:
undetectable		 4qvvK-4fo0A:
18.91
4qvvL-4fo0A:
16.52
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.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		5 THR A   1
THR A  21
LYS A  33
GLY A  48
GLY A  49
 None
 0.68A 4qvvK-4g4eA:
20.9
4qvvL-4g4eA:
17.6		 4qvvK-4g4eA:
28.05
4qvvL-4g4eA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 THR B 438
GLY B 430
GLY B 429
VAL B 408
ASP B 405
 None
 1.34A 4qvvK-4g7eB:
undetectable
4qvvL-4g7eB:
undetectable		 4qvvK-4g7eB:
12.02
4qvvL-4g7eB:
15.17
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.
4ho7 HSLVU COMPLEX
PROTEOLYTIC SUBUNIT,
PUTATIVE

(Trypanosoma
brucei) 		PF00227
(Proteasome) 		4 THR A   1
THR A  21
LYS A  34
GLY A  48
 None
 0.62A 4qvvK-4ho7A:
20.8
4qvvL-4ho7A:
17.0		 4qvvK-4ho7A:
23.26
4qvvL-4ho7A:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jx6 PYRUVATE CARBOXYLASE

(Rhizobium etli) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		4 THR A 751
MET A 840
GLY A 842
GLY A 843
 None
 0.83A 4qvvK-4jx6A:
undetectable
4qvvL-4jx6A:
undetectable		 4qvvK-4jx6A:
16.98
4qvvL-4jx6A:
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.
4kw5 OXIDOREDUCTASE

(Mycobacterium
tuberculosis) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		4 THR A 181
GLY A 177
GLY A 176
VAL A 175
 None
 0.83A 4qvvK-4kw5A:
undetectable
4qvvL-4kw5A:
undetectable		 4qvvK-4kw5A:
18.45
4qvvL-4kw5A:
20.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
THR K  21
LYS K  33
GLY K  47
GLY K  48
 None
 0.49A 4qvvK-4qv9K:
38.9
4qvvL-4qv9K:
23.4		 4qvvK-4qv9K:
99.06
4qvvL-4qv9K:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 THR A 289
GLY A 496
GLY A 495
ASP A 442
 None
 0.79A 4qvvK-4r1dA:
undetectable
4qvvL-4r1dA:
undetectable		 4qvvK-4r1dA:
18.37
4qvvL-4r1dA:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rvs PROBABLE QUINONE
REDUCTASE QOR
(NADPH:QUINONE
REDUCTASE)
(ZETA-CRYSTALLIN
HOMOLOG PROTEIN)

(Mycobacterium
tuberculosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 THR A 160
GLY A 153
GLY A 154
VAL A 155
 None
 0.79A 4qvvK-4rvsA:
undetectable
4qvvL-4rvsA:
undetectable		 4qvvK-4rvsA:
20.72
4qvvL-4rvsA:
22.12
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.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 THR A  41
THR A 229
GLY A  96
GLY A  97
 None
None
None
FAD  A 700 (-3.2A)
 0.75A 4qvvK-4udrA:
undetectable
4qvvL-4udrA:
undetectable		 4qvvK-4udrA:
18.79
4qvvL-4udrA:
17.82
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.
4yte H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ0715

(Methanocaldococcus
jannaschii) 		no annotation 4 THR A 115
THR A  95
GLY A   7
ASP A  75
 None
 0.72A 4qvvK-4yteA:
undetectable
4qvvL-4yteA:
undetectable		 4qvvK-4yteA:
19.82
4qvvL-4yteA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z7r COENZYME PQQ
SYNTHESIS PROTEIN B

(Methylobacterium
extorquens) 		PF12706
(Lactamase_B_2) 		4 THR A 269
GLY A  12
GLY A  13
VAL A  14
 None
 0.84A 4qvvK-4z7rA:
undetectable
4qvvL-4z7rA:
undetectable		 4qvvK-4z7rA:
22.15
4qvvL-4z7rA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a3c SIR2 FAMILY PROTEIN

(Streptococcus
pyogenes) 		no annotation 4 THR A 116
GLY A  35
GLY A 229
VAL A 230
 None
NAD  A1294 (-3.3A)
NAD  A1294 (-3.4A)
NAD  A1294 (-3.8A)
 0.70A 4qvvK-5a3cA:
undetectable
4qvvL-5a3cA:
undetectable		 4qvvK-5a3cA:
18.90
4qvvL-5a3cA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aoy ENDONUCLEASE V

(Mus musculus) 		PF04493
(Endonuclease_5) 		4 THR A 224
GLY A  50
GLY A  49
VAL A  48
 None
 0.84A 4qvvK-5aoyA:
undetectable
4qvvL-5aoyA:
undetectable		 4qvvK-5aoyA:
22.10
4qvvL-5aoyA:
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.
5deu METHYLCYTOSINE
DIOXYGENASE TET2,
CHIMERIC CONSTRUCT

(Homo sapiens) 		PF12851
(Tet_JBP) 		4 THR A1183
GLY A1860
GLY A1861
VAL A1862
 None
 0.76A 4qvvK-5deuA:
undetectable
4qvvL-5deuA:
undetectable		 4qvvK-5deuA:
18.42
4qvvL-5deuA:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dgq PUTATIVE
ENDOGLUCANASE-RELATE
D PROTEIN

(Photobacterium
profundum) 		PF00759
(Glyco_hydro_9) 		4 THR A 162
GLY A 136
GLY A 135
ASP A 132
 None
 0.75A 4qvvK-5dgqA:
undetectable
4qvvL-5dgqA:
undetectable		 4qvvK-5dgqA:
16.41
4qvvL-5dgqA:
16.44
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.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		4 THR H   1
THR H  21
LYS H  33
GLY H  47
 None
 0.43A 4qvvK-5fg9H:
27.6
4qvvL-5fg9H:
23.2		 4qvvK-5fg9H:
28.81
4qvvL-5fg9H:
24.22
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.
5fql IDURONATE-2-SULFATAS
E

(Homo sapiens) 		PF00884
(Sulfatase) 		4 THR A 202
GLY A 224
GLY A 134
VAL A 133
 None
None
CL  A1567 (-3.7A)
None
 0.82A 4qvvK-5fqlA:
undetectable
4qvvL-5fqlA:
undetectable		 4qvvK-5fqlA:
16.51
4qvvL-5fqlA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gjw VOLTAGE-DEPENDENT
CALCIUM CHANNEL
SUBUNIT
ALPHA-2/DELTA-1

(Oryctolagus
cuniculus) 		PF00092
(VWA)
PF08399
(VWA_N)
PF08473
(VGCC_alpha2) 		4 THR F 744
THR F 715
GLY F 742
GLY F 741
 None
 0.81A 4qvvK-5gjwF:
undetectable
4qvvL-5gjwF:
undetectable		 4qvvK-5gjwF:
11.28
4qvvL-5gjwF:
11.48
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.
5h8y SULFITE REDUCTASE
[FERREDOXIN],
CHLOROPLASTIC

(Zea mays) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 THR A 470
GLY A 409
GLY A 421
VAL A 422
 None
 0.75A 4qvvK-5h8yA:
undetectable
4qvvL-5h8yA:
undetectable		 4qvvK-5h8yA:
18.20
4qvvL-5h8yA:
16.43
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.
5i32 AQUAPORIN TIP2-1

(Arabidopsis
thaliana) 		PF00230
(MIP) 		4 THR A  87
GLY A  94
GLY A  93
VAL A  92
 None
 0.70A 4qvvK-5i32A:
undetectable
4qvvL-5i32A:
undetectable		 4qvvK-5i32A:
23.47
4qvvL-5i32A:
20.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
THR K  21
LYS K  33
GLY K  47
GLY K  48
 None
 0.60A 4qvvK-5l5wK:
37.8
4qvvL-5l5wK:
23.7		 4qvvK-5l5wK:
82.08
4qvvL-5l5wK:
23.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		4 THR K   1
LYS K  33
MET K  45
GLY K  47
 7DX  K 301 (-3.3A)
7DX  K 301 (-4.2A)
7DX  K 301 ( 3.8A)
7DX  K 301 (-3.8A)
 0.36A 4qvvK-5m2bK:
38.1
4qvvL-5m2bK:
24.0		 4qvvK-5m2bK:
76.42
4qvvL-5m2bK:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpa 26S PROTEASE
REGULATORY SUBUNIT
6A

(Saccharomyces
cerevisiae) 		PF00004
(AAA) 		4 THR M 226
GLY M 185
GLY M 184
VAL M 183
 ATP  M 501 (-4.6A)
None
ATP  M 501 (-3.8A)
ATP  M 501 ( 4.4A)
 0.51A 4qvvK-5mpaM:
23.4
4qvvL-5mpaM:
35.0		 4qvvK-5mpaM:
19.77
4qvvL-5mpaM:
17.28
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.
5mpl HETEROGENEOUS
NUCLEAR
RIBONUCLEOPROTEIN A1

(Homo sapiens) 		PF00076
(RRM_1) 		4 THR A 169
GLY A 111
GLY A 110
VAL A 109
 None
C  B   2 ( 2.7A)
C  B   2 ( 2.9A)
None
 0.82A 4qvvK-5mplA:
undetectable
4qvvL-5mplA:
undetectable		 4qvvK-5mplA:
19.34
4qvvL-5mplA:
16.43
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.
5szi RAS-RELATED PROTEIN
RAB-8A

(Homo sapiens) 		PF00071
(Ras) 		4 THR A  64
THR A  22
GLY A  15
VAL A  87
 None
MG  A 302 ( 2.8A)
None
None
 0.82A 4qvvK-5sziA:
undetectable
4qvvL-5sziA:
undetectable		 4qvvK-5sziA:
21.21
4qvvL-5sziA:
22.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		4 THR R   1
LYS R  33
GLY R  47
GLY R  48
 None
 0.75A 4qvvK-5t0gR:
32.5
4qvvL-5t0gR:
24.1		 4qvvK-5t0gR:
64.90
4qvvL-5t0gR:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 5 THR R   1
THR R  21
LYS R  33
GLY R  47
GLY R  48
 None
 0.61A 4qvvK-5vfrR:
33.3
4qvvL-5vfrR:
23.9		 4qvvK-5vfrR:
undetectable
4qvvL-5vfrR:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6acd -

(-) 		no annotation 4 THR A 616
GLY A 579
GLY A 580
VAL A 581
 None
 0.72A 4qvvK-6acdA:
undetectable
4qvvL-6acdA:
undetectable		 4qvvK-6acdA:
undetectable
4qvvL-6acdA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 4 THR B   1
THR B  21
LYS B  33
GLY B  47
 None
 0.70A 4qvvK-6avoB:
21.3
4qvvL-6avoB:
21.0		 4qvvK-6avoB:
20.44
4qvvL-6avoB:
18.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-8

(Homo sapiens) 		no annotation 4 THR C   1
LYS C  33
MET C  45
GLY C  47
 BZ7  C 301 (-4.0A)
BZ7  C 301 ( 4.8A)
BZ7  C 301 ( 4.7A)
BZ7  C 301 (-4.5A)
 0.53A 4qvvK-6avoC:
33.9
4qvvL-6avoC:
24.8		 4qvvK-6avoC:
65.00
4qvvL-6avoC:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6axf RAS GUANYL-RELEASING
PROTEIN 2

(Homo sapiens) 		no annotation 4 THR A 242
GLY A 249
GLY A 248
VAL A 247
 None
 0.80A 4qvvK-6axfA:
undetectable
4qvvL-6axfA:
undetectable		 4qvvK-6axfA:
18.43
4qvvL-6axfA:
19.29
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.
6b0t FASCIN

(Homo sapiens) 		no annotation 4 THR A 356
GLY A 321
GLY A 322
VAL A 323
 None
 0.80A 4qvvK-6b0tA:
undetectable
4qvvL-6b0tA:
undetectable		 4qvvK-6b0tA:
17.19
4qvvL-6b0tA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d43 TRIOSEPHOSPHATE
ISOMERASE

(Homo sapiens) 		no annotation 4 THR B 213
GLY B 233
GLY B 232
VAL B 231
 None
 0.82A 4qvvK-6d43B:
undetectable
4qvvL-6d43B:
undetectable		 4qvvK-6d43B:
17.29
4qvvL-6d43B:
18.43
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.
6dbr -

(-) 		no annotation 4 THR A 608
GLY A 715
GLY A 714
VAL A 713
 None
 0.57A 4qvvK-6dbrA:
undetectable
4qvvL-6dbrA:
undetectable		 4qvvK-6dbrA:
undetectable
4qvvL-6dbrA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gdt -

(-) 		no annotation 4 THR A 163
GLY A 137
GLY A 136
ASP A 133
 None
 0.68A 4qvvK-6gdtA:
undetectable
4qvvL-6gdtA:
undetectable		 4qvvK-6gdtA:
undetectable
4qvvL-6gdtA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6req PROTEIN
(METHYLMALONYL-COA
MUTASE)

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase) 		4 THR B 347
GLY B 354
GLY B 353
VAL B 352
 None
 0.84A 4qvvK-6reqB:
undetectable
4qvvL-6reqB:
undetectable		 4qvvK-6reqB:
17.25
4qvvL-6reqB:
17.24