SIMILAR PATTERNS OF AMINO ACIDS FOR 5M5K_B_ADNB502

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.
1g7r TRANSLATION
INITIATION FACTOR
IF2/EIF5B


(Methanothermobacter
thermautotrophicus)
PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4)
5 LEU A 161
ASP A 162
ASP A 183
MET A 147
PHE A 146
None
1.17A 5m5kB-1g7rA:
2.1
5m5kB-1g7rA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gq7 PROCLAVAMINATE
AMIDINO HYDROLASE


(Streptomyces
clavuligerus)
PF00491
(Arginase)
5 HIS A 146
ASP A 237
THR A 247
GLY A 161
HIS A 160
MN  A 351 (-3.3A)
MN  A 351 (-2.2A)
None
None
None
1.38A 5m5kB-1gq7A:
2.9
5m5kB-1gq7A:
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.
1p49 STERYL-SULFATASE

(Homo sapiens)
PF00884
(Sulfatase)
PF14707
(Sulfatase_C)
5 LEU A  31
THR A 406
GLY A 380
HIS A  68
PHE A  82
None
1.38A 5m5kB-1p49A:
undetectable
5m5kB-1p49A:
22.85
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.
1p8r ARGINASE 1

(Rattus
norvegicus)
PF00491
(Arginase)
5 HIS A 126
ASP A 234
THR A 244
GLY A 142
HIS A 141
MN  A 500 ( 3.2A)
MN  A 500 ( 2.1A)
None
S2C  A 551 ( 3.9A)
S2C  A 551 (-3.7A)
1.40A 5m5kB-1p8rA:
3.1
5m5kB-1p8rA:
22.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE


(Plasmodium
falciparum)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
12 LEU A  53
HIS A  54
THR A  56
ASP A 134
GLU A 200
THR A 201
LYS A 230
ASP A 234
GLY A 397
HIS A 398
MET A 403
PHE A 407
None
ADN  A 502 (-4.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-3.1A)
ADN  A 502 (-4.0A)
NAD  A 501 ( 2.8A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 3.7A)
ADN  A 502 ( 3.5A)
ADN  A 502 (-3.6A)
None
0.41A 5m5kB-1v8bA:
60.3
5m5kB-1v8bA:
53.25
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.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5


(Homo sapiens)
PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5)
5 GLU 1 305
THR 1 306
ASP 1 271
GLY 1 276
HIS 1 244
None
None
MN  1 601 ( 3.0A)
None
MN  1 602 (-3.3A)
1.42A 5m5kB-1wao1:
undetectable
5m5kB-1wao1:
24.11
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.
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT


(Rhodococcus sp.
NCIMB 12038)
PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
5 THR A 322
THR A 217
ASP A 372
GLY A 363
PHE A 210
None
IND  A 503 ( 4.3A)
FE  A 502 (-2.1A)
None
IND  A 503 ( 4.4A)
1.16A 5m5kB-2b24A:
undetectable
5m5kB-2b24A:
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.
2hfq HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea)
PF09630
(DUF2024)
5 LEU A  40
LYS A  80
GLY A  15
HIS A  16
MET A  18
None
1.21A 5m5kB-2hfqA:
undetectable
5m5kB-2hfqA:
10.90
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.
2p18 GLYOXALASE II

(Leishmania
infantum)
PF00753
(Lactamase_B)
PF16123
(HAGH_C)
5 LEU A 129
HIS A 150
ASP A  31
THR A  34
GLY A  10
None
1.43A 5m5kB-2p18A:
undetectable
5m5kB-2p18A:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE


(Agrobacterium
sp.)
PF00275
(EPSP_synthase)
5 THR A 275
ASP A 300
GLU A 299
LYS A 205
ASP A 201
None
1.38A 5m5kB-2pqdA:
undetectable
5m5kB-2pqdA:
22.56
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.
2wab ENDOGLUCANASE E

(Ruminiclostridium
thermocellum)
PF00657
(Lipase_GDSL)
5 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
1.30A 5m5kB-2wabA:
4.9
5m5kB-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yln PUTATIVE ABC
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, AMINO ACID


(Neisseria
gonorrhoeae)
PF00497
(SBP_bac_3)
5 LEU A  41
ASP A 110
THR A  52
GLY A  87
PHE A 247
None
GOL  A1281 (-3.2A)
GOL  A1281 (-2.7A)
None
None
1.30A 5m5kB-2ylnA:
undetectable
5m5kB-2ylnA:
22.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE


(Mycobacterium
tuberculosis)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 HIS A  69
THR A  74
ASP A 156
THR A 219
ASP A 252
ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.7A)
1.33A 5m5kB-3ce6A:
60.5
5m5kB-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE


(Mycobacterium
tuberculosis)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
THR A 219
LYS A 248
ASP A 252
GLY A 415
HIS A 416
MET A 421
PHE A 425
None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
0.57A 5m5kB-3ce6A:
60.5
5m5kB-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE


(Leishmania
major)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
10 LEU A  51
HIS A  52
THR A  54
ASP A 130
GLU A 155
THR A 156
GLY A 351
HIS A 352
MET A 357
PHE A 361
None
ADN  A 438 (-4.0A)
ADN  A 438 (-2.8A)
ADN  A 438 (-4.1A)
ADN  A 438 (-3.8A)
NAD  A 439 ( 3.0A)
ADN  A 438 ( 3.8A)
ADN  A 438 ( 3.6A)
ADN  A 438 (-3.7A)
None
0.59A 5m5kB-3g1uA:
57.1
5m5kB-3g1uA:
60.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE


(Burkholderia
pseudomallei)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 HIS A  62
THR A  67
ASP A 139
THR A 200
ASP A 233
RAB  A 602 (-3.8A)
RAB  A 602 (-4.5A)
RAB  A 602 (-3.0A)
NAD  A 601 ( 2.9A)
RAB  A 602 (-2.5A)
1.34A 5m5kB-3glqA:
60.5
5m5kB-3glqA:
65.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE


(Burkholderia
pseudomallei)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 199
THR A 200
LYS A 229
ASP A 233
GLY A 393
HIS A 394
MET A 399
PHE A 403
None
RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.0A)
RAB  A 602 (-4.6A)
NAD  A 601 ( 2.9A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 ( 3.8A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
None
0.45A 5m5kB-3glqA:
60.5
5m5kB-3glqA:
65.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h4x PHOSPHATIDYLINOSITOL
-SPECIFIC
PHOSPHOLIPASE C1


(Streptomyces
antibioticus)
PF16670
(PI-PLC-C1)
5 HIS A 216
ASP A 146
THR A 230
GLY A 215
PHE A 134
EOH  A 353 (-3.9A)
None
None
None
None
1.37A 5m5kB-3h4xA:
undetectable
5m5kB-3h4xA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h68 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 5


(Homo sapiens)
PF00149
(Metallophos)
PF08321
(PPP5)
5 GLU A 305
THR A 306
ASP A 271
GLY A 276
HIS A 244
None
None
ZN  A 500 (-2.8A)
None
ZN  A 501 ( 3.3A)
1.46A 5m5kB-3h68A:
undetectable
5m5kB-3h68A:
21.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE


(Trypanosoma
brucei)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 HIS A  52
THR A  57
ASP A 130
THR A 156
ASP A 189
ADN  A 439 ( 4.7A)
ADN  A 439 (-4.7A)
None
NAD  A 438 (-3.8A)
NAD  A 438 ( 4.4A)
1.38A 5m5kB-3h9uA:
57.3
5m5kB-3h9uA:
58.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE


(Trypanosoma
brucei)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
12 LEU A  51
HIS A  52
THR A  54
ASP A 130
GLU A 155
THR A 156
LYS A 185
ASP A 189
GLY A 351
HIS A 352
MET A 357
PHE A 361
None
ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
None
None
NAD  A 438 (-3.8A)
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.3A)
ADN  A 439 ( 3.7A)
None
0.32A 5m5kB-3h9uA:
57.3
5m5kB-3h9uA:
58.85
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.
3ky7 TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE


(Staphylococcus
aureus)
PF01746
(tRNA_m1G_MT)
5 LEU A 211
THR A 214
ASP A 231
THR A 228
GLY A 172
None
1.43A 5m5kB-3ky7A:
undetectable
5m5kB-3ky7A:
20.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE


(Brucella
abortus)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 HIS A  55
THR A  60
ASP A 132
THR A 193
ASP A 226
ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
1.32A 5m5kB-3n58A:
62.1
5m5kB-3n58A:
69.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE


(Brucella
abortus)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
THR A 193
LYS A 222
ASP A 226
GLY A 386
HIS A 387
MET A 392
PHE A 396
None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
0.37A 5m5kB-3n58A:
62.1
5m5kB-3n58A:
69.73
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.
3nio GUANIDINOBUTYRASE

(Pseudomonas
aeruginosa)
PF00491
(Arginase)
5 HIS A 154
ASP A 245
THR A 255
GLY A 169
HIS A 168
MN  A1602 (-3.3A)
MN  A1602 (-2.2A)
None
None
None
1.25A 5m5kB-3nioA:
undetectable
5m5kB-3nioA:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE


(Lupinus luteus)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 HIS A  62
THR A  67
ASP A 139
THR A 206
ASP A 239
ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.5A)
1.32A 5m5kB-3oneA:
57.3
5m5kB-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE


(Lupinus luteus)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
THR A 206
LYS A 235
ASP A 239
GLY A 403
HIS A 404
MET A 409
PHE A 413
None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
0.60A 5m5kB-3oneA:
57.3
5m5kB-3oneA:
62.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pf7 BENZOYL-COA
OXYGENASE COMPONENT
B


(Azoarcus
evansii)
no annotation 5 LEU A 427
HIS A 423
LYS A 398
HIS A 406
PHE A 395
None
0.95A 5m5kB-3pf7A:
undetectable
5m5kB-3pf7A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qvf FOMA PROTEIN

(Streptomyces
wedmorensis)
PF00696
(AA_kinase)
5 ASP A 150
THR A 215
ASP A 208
GLY A  54
HIS A  58
MG  A5000 (-4.0A)
None
ADP  A1260 ( 3.9A)
FV1  A4001 (-3.2A)
FV1  A4001 (-4.0A)
1.37A 5m5kB-3qvfA:
undetectable
5m5kB-3qvfA:
21.66
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.
3qvf FOMA PROTEIN

(Streptomyces
wedmorensis)
PF00696
(AA_kinase)
5 ASP A 150
THR A 215
ASP A 208
GLY A  57
HIS A  58
MG  A5000 (-4.0A)
None
ADP  A1260 ( 3.9A)
FV1  A4001 (-3.4A)
FV1  A4001 (-4.0A)
1.37A 5m5kB-3qvfA:
undetectable
5m5kB-3qvfA:
21.66
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.
3rre PUTATIVE
UNCHARACTERIZED
PROTEIN


(Thermotoga
maritima)
PF01256
(Carb_kinase)
PF03853
(YjeF_N)
5 THR A 171
ASP A  55
ASP A   5
GLY A 173
HIS A 198
None
GOL  A 496 (-3.1A)
GOL  A 496 (-2.9A)
None
None
1.44A 5m5kB-3rreA:
5.5
5m5kB-3rreA:
25.13
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.
3sl1 ARGINASE

(Plasmodium
falciparum)
PF00491
(Arginase)
5 HIS A 218
ASP A 325
THR A 335
GLY A 234
HIS A 233
MN  A 412 ( 3.3A)
MN  A 412 ( 2.0A)
None
FB6  A 414 (-3.6A)
FB6  A 414 (-3.5A)
1.21A 5m5kB-3sl1A:
3.1
5m5kB-3sl1A:
19.88
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.
3v4c ALDEHYDE
DEHYDROGENASE
(NADP+)


(Sinorhizobium
meliloti)
PF00171
(Aldedh)
5 LEU A 446
THR A 452
GLY A 463
HIS A 462
MET A 460
None
1.30A 5m5kB-3v4cA:
undetectable
5m5kB-3v4cA:
23.53
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.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae)
PF00149
(Metallophos)
PF02872
(5_nucleotid_C)
5 LEU A 139
GLU A 128
ASP A  94
GLY A  98
HIS A  46
None
None
ZN  A1595 (-2.4A)
None
ZN  A1596 (-3.3A)
1.17A 5m5kB-3zu0A:
undetectable
5m5kB-3zu0A:
22.72
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.
4b43 TRANSLATION
INITIATION FACTOR
IF-2


(Thermus
thermophilus)
PF00009
(GTP_EFTU)
PF04760
(IF2_N)
5 HIS A 109
THR A 107
ASP A 126
THR A 127
ASP A  91
None
1.24A 5m5kB-4b43A:
2.7
5m5kB-4b43A:
23.53
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.
4ggv CYTOCHROME P450
SUPERFAMILY PROTEIN


(Streptomyces
himastatinicus)
PF00067
(p450)
5 LEU A 277
THR A 241
GLU A 274
GLY A 356
PHE A 339
None
HEM  A 401 ( 4.4A)
None
None
HEM  A 401 (-4.7A)
1.47A 5m5kB-4ggvA:
undetectable
5m5kB-4ggvA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h2x AMINO
ACID--[ACYL-CARRIER-
PROTEIN] LIGASE 1


(Agrobacterium
fabrum;
Bradyrhizobium
diazoefficiens)
no annotation 5 LEU B 242
HIS B 293
THR B 207
GLY B 296
HIS B 295
None
1.18A 5m5kB-4h2xB:
undetectable
5m5kB-4h2xB:
23.94
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.
4hxq ARGINASE-1

(Homo sapiens)
PF00491
(Arginase)
5 HIS A 126
ASP A 234
THR A 244
GLY A 142
HIS A 141
MN  A 902 ( 3.4A)
MN  A 902 ( 2.0A)
None
X8A  A 901 ( 3.7A)
X8A  A 901 (-3.4A)
1.32A 5m5kB-4hxqA:
undetectable
5m5kB-4hxqA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iu4 ARGINASE

(Leishmania
mexicana)
PF00491
(Arginase)
5 HIS A 139
ASP A 245
THR A 255
GLY A 155
HIS A 154
MN  A 402 ( 3.4A)
MN  A 402 ( 2.0A)
None
S2C  A 405 ( 3.7A)
S2C  A 405 (-3.2A)
1.30A 5m5kB-4iu4A:
2.1
5m5kB-4iu4A:
22.37
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.
4ixu ARGINASE-2,
MITOCHONDRIAL


(Homo sapiens)
PF00491
(Arginase)
5 HIS A 145
ASP A 253
THR A 263
GLY A 161
HIS A 160
MN  A 402 ( 3.3A)
MN  A 402 ( 2.0A)
None
38I  A 406 ( 3.7A)
38I  A 406 (-3.5A)
1.26A 5m5kB-4ixuA:
undetectable
5m5kB-4ixuA:
20.20
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.
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE


(Bos taurus)
PF00085
(Thioredoxin)
PF04616
(Glyco_hydro_43)
PF16369
(GH43_C)
5 LEU A 396
GLU A 376
THR A 392
ASP A 308
GLY A 142
GOL  A 734 (-4.6A)
GOL  A 734 ( 3.7A)
None
GOL  A 734 (-2.6A)
None
1.16A 5m5kB-4kcaA:
undetectable
5m5kB-4kcaA:
22.55
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.
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE


(Bos taurus)
PF00085
(Thioredoxin)
PF04616
(Glyco_hydro_43)
PF16369
(GH43_C)
5 LEU A 396
HIS A 491
THR A 392
ASP A 308
GLY A 142
GOL  A 734 (-4.6A)
None
None
GOL  A 734 (-2.6A)
None
1.22A 5m5kB-4kcaA:
undetectable
5m5kB-4kcaA:
22.55
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.
4kjd INTESTINAL-TYPE
ALKALINE PHOSPHATASE
1


(Rattus
norvegicus)
PF00245
(Alk_phosphatase)
5 LEU A  40
ASP A 357
THR A  95
HIS A 153
PHE A 309
None
SEP  A  92 ( 3.8A)
SEP  A  92 ( 4.2A)
SEP  A  92 ( 4.9A)
None
1.48A 5m5kB-4kjdA:
undetectable
5m5kB-4kjdA:
22.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)


(Bradyrhizobium
elkanii)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 HIS A  58
THR A  63
ASP A 135
THR A 198
ASP A 231
ADN  A 501 (-4.0A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.0A)
NAD  A 503 ( 2.9A)
ADN  A 501 (-3.1A)
1.27A 5m5kB-4lvcA:
69.4
5m5kB-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)


(Bradyrhizobium
elkanii)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
12 LEU A  57
HIS A  58
THR A  60
ASP A 135
GLU A 197
THR A 198
LYS A 227
ASP A 231
GLY A 391
HIS A 392
MET A 397
PHE A 401
None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-3.6A)
NAD  A 503 ( 2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
0.32A 5m5kB-4lvcA:
69.4
5m5kB-4lvcA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nv4 SIGNAL PEPTIDASE I

(Bacillus
anthracis)
PF00717
(Peptidase_S24)
5 THR A 132
THR A 123
ASP A 154
HIS A 157
PHE A 143
None
None
None
PG4  A 201 (-3.9A)
None
1.45A 5m5kB-4nv4A:
undetectable
5m5kB-4nv4A:
16.46
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.
4q3r ARGINASE

(Schistosoma
mansoni)
PF00491
(Arginase)
5 HIS A 156
ASP A 264
THR A 274
GLY A 172
HIS A 171
MN  A 402 ( 3.3A)
MN  A 402 ( 2.1A)
None
XA2  A 407 ( 3.8A)
XA2  A 407 (-3.2A)
1.33A 5m5kB-4q3rA:
undetectable
5m5kB-4q3rA:
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.
4qiw DNA-DIRECTED RNA
POLYMERASE


(Thermococcus
kodakarensis)
PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
5 LEU B1073
HIS A  73
LYS B1102
ASP B1106
GLY A  75
None
ZN  A1002 (-3.1A)
None
None
None
1.26A 5m5kB-4qiwB:
undetectable
5m5kB-4qiwB:
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.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD


(Mycolicibacterium
smegmatis)
PF10017
(Methyltransf_33)
5 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
1.08A 5m5kB-4uy6A:
4.4
5m5kB-4uy6A:
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.
5ho9 EXTRACELLULAR
ARABINANASE


(Geobacillus
stearothermophilus)
PF04616
(Glyco_hydro_43)
PF16369
(GH43_C)
5 LEU A 326
GLU A 304
THR A 322
ASP A 238
GLY A  69
None
AHR  A 721 ( 3.8A)
None
AHR  A 720 ( 4.9A)
None
1.02A 5m5kB-5ho9A:
undetectable
5m5kB-5ho9A:
23.00
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.
5ho9 EXTRACELLULAR
ARABINANASE


(Geobacillus
stearothermophilus)
PF04616
(Glyco_hydro_43)
PF16369
(GH43_C)
5 LEU A 326
HIS A 412
THR A 322
ASP A 238
GLY A  69
None
None
None
AHR  A 720 ( 4.9A)
None
1.13A 5m5kB-5ho9A:
undetectable
5m5kB-5ho9A:
23.00
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.
5hp6 EXTRACELLULAR
ARABINANASE


(Geobacillus
stearothermophilus)
PF04616
(Glyco_hydro_43)
PF13385
(Laminin_G_3)
PF16369
(GH43_C)
5 LEU A 326
GLU A 304
THR A 322
ASP A 238
GLY A  69
TRS  A 903 (-4.4A)
TRS  A 903 (-2.9A)
None
TRS  A 903 (-2.7A)
None
1.12A 5m5kB-5hp6A:
undetectable
5m5kB-5hp6A:
21.39
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.
5hp6 EXTRACELLULAR
ARABINANASE


(Geobacillus
stearothermophilus)
PF04616
(Glyco_hydro_43)
PF13385
(Laminin_G_3)
PF16369
(GH43_C)
5 LEU A 326
HIS A 412
THR A 322
ASP A 238
GLY A  69
TRS  A 903 (-4.4A)
None
None
TRS  A 903 (-2.7A)
None
1.19A 5m5kB-5hp6A:
undetectable
5m5kB-5hp6A:
21.39
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.
5uq6 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5


(Sus scrofa)
PF00149
(Metallophos)
5 LEU A  95
HIS A  92
ASP A 146
GLY A  51
HIS A 186
None
PO4  A 404 (-3.7A)
PO4  A 404 ( 4.6A)
None
FE  A 403 ( 3.4A)
1.44A 5m5kB-5uq6A:
2.0
5m5kB-5uq6A:
21.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE


(Cryptosporidium
parvum)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 HIS A  53
THR A  58
ASP A 137
THR A 212
ASP A 245
SAH  A 502 (-4.0A)
SAH  A 502 (-4.2A)
SAH  A 502 (-3.4A)
NAD  A 501 ( 4.1A)
SAH  A 502 (-2.8A)
1.36A 5m5kB-5utuA:
54.6
5m5kB-5utuA:
51.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE


(Cryptosporidium
parvum)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
12 LEU A  52
HIS A  53
THR A  55
ASP A 137
GLU A 211
THR A 212
LYS A 241
ASP A 245
GLY A 409
HIS A 410
MET A 415
PHE A 419
None
SAH  A 502 (-4.0A)
SAH  A 502 (-2.7A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.8A)
NAD  A 501 ( 4.1A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
SAH  A 502 ( 3.7A)
SAH  A 502 ( 3.5A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
0.22A 5m5kB-5utuA:
54.6
5m5kB-5utuA:
51.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE


(Naegleria
fowleri)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 GLU A 197
THR A 198
GLY A 235
MET A 400
PHE A 404
ADN  A 502 (-3.5A)
NAD  A 501 ( 2.9A)
None
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
1.47A 5m5kB-5v96A:
62.4
5m5kB-5v96A:
62.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE


(Naegleria
fowleri)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
6 HIS A  59
THR A  64
ASP A 136
THR A 198
ASP A 231
HIS A 395
ADN  A 502 ( 3.9A)
ADN  A 502 (-4.4A)
ADN  A 502 (-2.9A)
NAD  A 501 ( 2.9A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 3.4A)
1.30A 5m5kB-5v96A:
62.4
5m5kB-5v96A:
62.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE


(Naegleria
fowleri)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
12 LEU A  58
HIS A  59
THR A  61
ASP A 136
GLU A 197
THR A 198
LYS A 227
ASP A 231
GLY A 394
HIS A 395
MET A 400
PHE A 404
None
ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-3.5A)
NAD  A 501 ( 2.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
ADN  A 502 (-3.7A)
ADN  A 502 ( 3.4A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
0.34A 5m5kB-5v96A:
62.4
5m5kB-5v96A:
62.47
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.
5vyw PYRUVATE CARBOXYLASE

(Lactococcus
lactis)
PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
5 LEU A 604
THR A 665
GLU A 567
ASP A 756
HIS A 730
None
1.33A 5m5kB-5vywA:
3.0
5m5kB-5vywA:
18.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE


(Homo sapiens)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 HIS A  55
THR A  60
ASP A 131
THR A 157
ASP A 190
9W4  A 502 (-3.7A)
None
None
None
NAD  A 501 (-4.1A)
1.38A 5m5kB-5w4bA:
48.2
5m5kB-5w4bA:
57.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE


(Homo sapiens)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
9 LEU A  54
HIS A  55
THR A  57
ASP A 131
GLU A 156
THR A 157
LYS A 186
MET A 358
PHE A 362
None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
None
9W4  A 502 (-3.6A)
None
0.61A 5m5kB-5w4bA:
48.2
5m5kB-5w4bA:
57.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE


(Homo sapiens)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
9 LEU A  54
HIS A  55
THR A  57
ASP A 131
THR A 157
LYS A 186
ASP A 190
MET A 358
PHE A 362
None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
NAD  A 501 (-4.1A)
9W4  A 502 (-3.6A)
None
0.68A 5m5kB-5w4bA:
48.2
5m5kB-5w4bA:
57.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE


(Homo sapiens)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
9 LEU A  54
THR A  57
ASP A 131
THR A 157
LYS A 186
ASP A 190
HIS A 353
MET A 358
PHE A 362
None
9W4  A 502 (-2.9A)
None
None
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
0.89A 5m5kB-5w4bA:
48.2
5m5kB-5w4bA:
57.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE


(Homo sapiens)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
7 THR A 157
LYS A 186
ASP A 190
GLY A 352
HIS A 353
MET A 358
PHE A 362
None
None
NAD  A 501 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
0.98A 5m5kB-5w4bA:
48.2
5m5kB-5w4bA:
57.47
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.
5xgs RCC1-LIKE G
EXCHANGING
FACTOR-LIKE PROTEIN


(Homo sapiens)
PF00415
(RCC1)
PF13540
(RCC1_2)
5 LEU A 187
HIS A 185
GLY A 255
HIS A 241
PHE A 244
None
1.39A 5m5kB-5xgsA:
undetectable
5m5kB-5xgsA:
21.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE


(Elizabethkingia
anophelis)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 HIS A  58
THR A  63
ASP A 136
THR A 162
ASP A 195
ADN  A 501 (-3.9A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.0A)
NAD  A 500 ( 2.9A)
ADN  A 501 (-2.7A)
1.29A 5m5kB-6aphA:
30.1
5m5kB-6aphA:
60.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE


(Elizabethkingia
anophelis)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
12 LEU A  57
HIS A  58
THR A  60
ASP A 136
GLU A 161
THR A 162
LYS A 191
ASP A 195
GLY A 357
HIS A 358
MET A 363
PHE A 367
None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.5A)
NAD  A 500 ( 2.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
0.57A 5m5kB-6aphA:
30.1
5m5kB-6aphA:
60.62
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.
6f3m -

(-)
no annotation 11 HIS B  61
THR B  63
ASP B 139
GLU B 164
THR B 165
LYS B 194
ASP B 198
GLY B 381
HIS B 382
MET B 387
PHE B 391
ADN  B 502 ( 4.0A)
ADN  B 502 (-2.8A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-3.6A)
NAD  B 501 ( 2.8A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.4A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
0.39A 5m5kB-6f3mB:
53.1
5m5kB-6f3mB:
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.
6f3m -

(-)
no annotation 5 HIS B  61
THR B  66
ASP B 139
THR B 165
ASP B 198
ADN  B 502 ( 4.0A)
ADN  B 502 (-4.6A)
ZN  B 505 ( 2.5A)
NAD  B 501 ( 2.8A)
ADN  B 502 (-2.7A)
1.33A 5m5kB-6f3mB:
53.1
5m5kB-6f3mB:
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.
6gbn -

(-)
no annotation 5 HIS A  56
THR A  61
ASP A 134
THR A 160
ASP A 193
ADN  A 501 (-3.9A)
ADN  A 501 (-4.6A)
ADN  A 501 (-2.9A)
NAD  A 502 ( 2.8A)
ADN  A 501 (-2.7A)
1.26A 5m5kB-6gbnA:
31.4
5m5kB-6gbnA:
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.
6gbn -

(-)
no annotation 12 LEU A  55
HIS A  56
THR A  58
ASP A 134
GLU A 159
THR A 160
LYS A 189
ASP A 193
GLY A 355
HIS A 356
MET A 361
PHE A 365
None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.9A)
ADN  A 501 (-3.9A)
NAD  A 502 ( 2.8A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
None
0.34A 5m5kB-6gbnA:
31.4
5m5kB-6gbnA:
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.
6gy5 -

(-)
no annotation 5 LEU A 379
HIS A 373
THR A 404
ASP A 374
GLY A 423
NA  A 722 ( 4.4A)
None
None
NA  A 721 ( 4.8A)
None
1.48A 5m5kB-6gy5A:
undetectable
5m5kB-6gy5A:
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.
1avv NEGATIVE FACTOR

(Human
immunodeficiency
virus 1)
PF00469
(F-protein)
4 GLN A 118
THR A 117
LEU A  97
LEU A  91
None
1.09A 5m5kB-1avvA:
undetectable
5m5kB-1avvA:
14.64
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.
1cj2 PROTEIN
(P-HYDROXYBENZOATE
HYDROXYLASE)


(Pseudomonas
fluorescens)
PF01494
(FAD_binding_3)
4 GLN A   4
THR A   3
LEU A  17
LEU A  21
None
1.26A 5m5kB-1cj2A:
3.7
5m5kB-1cj2A:
21.91
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.
1ck7 PROTEIN (GELATINASE
A)


(Homo sapiens)
PF00040
(fn2)
PF00045
(Hemopexin)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1)
4 GLN A 442
THR A 155
LEU A 420
LEU A 433
None
1.01A 5m5kB-1ck7A:
undetectable
5m5kB-1ck7A:
22.72
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.
1ctt CYTIDINE DEAMINASE

(Escherichia
coli)
PF00383
(dCMP_cyt_deam_1)
PF08211
(dCMP_cyt_deam_2)
4 GLN A  99
THR A 276
LEU A 247
LEU A 244
None
1.15A 5m5kB-1cttA:
undetectable
5m5kB-1cttA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eak 72 KDA TYPE IV
COLLAGENASE


(Homo sapiens)
PF00040
(fn2)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1)
4 GLN A 442
THR A 155
LEU A 420
LEU A 433
None
0.98A 5m5kB-1eakA:
undetectable
5m5kB-1eakA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hfs STROMELYSIN-1

(Homo sapiens)
PF00413
(Peptidase_M10)
4 GLN A 243
THR A 128
LEU A 218
LEU A 234
None
None
L04  A 256 ( 4.7A)
None
0.99A 5m5kB-1hfsA:
2.5
5m5kB-1hfsA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hyl HYPODERMA LINEATUM
COLLAGENASE


(Hypoderma
lineatum)
PF00089
(Trypsin)
4 GLN A 239
THR A 242
LEU A 209
LEU A 123
None
1.04A 5m5kB-1hylA:
undetectable
5m5kB-1hylA:
18.53
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.
1hz4 MALT REGULATORY
PROTEIN


(Escherichia
coli)
no annotation 4 GLN A  76
THR A  77
LEU A  42
LEU A  39
None
1.29A 5m5kB-1hz4A:
undetectable
5m5kB-1hz4A:
22.89
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.
1iod COAGULATION FACTOR X
GLA DOMAIN


(Bos taurus)
PF00594
(Gla)
4 GLN G 436
THR G 437
LEU G 418
LEU G 413
None
1.12A 5m5kB-1iodG:
undetectable
5m5kB-1iodG:
8.72
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.
1qib 72 KDA TYPE IV
COLLAGENASE


(Homo sapiens)
PF00413
(Peptidase_M10)
4 GLN A 243
THR A 128
LEU A 218
LEU A 234
None
1.06A 5m5kB-1qibA:
undetectable
5m5kB-1qibA:
16.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qmh RNA 3'-TERMINAL
PHOSPHATE CYCLASE


(Escherichia
coli)
PF01137
(RTC)
PF05189
(RTC_insert)
4 GLN A 104
THR A 105
LEU A 295
LEU A 291
None
1.22A 5m5kB-1qmhA:
undetectable
5m5kB-1qmhA:
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.
1slm STROMELYSIN-1

(Homo sapiens)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1)
4 GLN A 243
THR A 128
LEU A 218
LEU A 234
None
0.99A 5m5kB-1slmA:
2.2
5m5kB-1slmA:
18.37
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.
1su3 INTERSTITIAL
COLLAGENASE


(Homo sapiens)
PF00045
(Hemopexin)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1)
4 GLN A 257
THR A 145
LEU A 235
LEU A 248
None
1.24A 5m5kB-1su3A:
undetectable
5m5kB-1su3A:
21.24
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.
1tex STF0
SULFOTRANSFERASE


(Mycolicibacterium
smegmatis)
PF09037
(Sulphotransf)
4 GLN A 105
THR A 106
LEU A 138
LEU A  11
TRE  A 501 (-4.6A)
None
None
None
1.32A 5m5kB-1texA:
undetectable
5m5kB-1texA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ujc PHOSPHOHISTIDINE
PHOSPHATASE SIXA


(Escherichia
coli)
PF00300
(His_Phos_1)
4 GLN A  93
THR A  96
LEU A 115
LEU A 119
None
1.24A 5m5kB-1ujcA:
2.2
5m5kB-1ujcA:
16.22
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.
1vb3 THREONINE SYNTHASE

(Escherichia
coli)
PF00291
(PALP)
PF14821
(Thr_synth_N)
4 GLN A 240
THR A 237
LEU A 361
LEU A 365
None
1.23A 5m5kB-1vb3A:
2.3
5m5kB-1vb3A:
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.
1w27 PHENYLALANINE
AMMONIA-LYASE 1


(Petroselinum
crispum)
PF00221
(Lyase_aromatic)
4 GLN A 521
THR A 674
LEU A 532
LEU A 528
None
1.26A 5m5kB-1w27A:
undetectable
5m5kB-1w27A:
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.
1whd REGULATOR OF
G-PROTEIN SIGNALING
3


(Mus musculus)
PF00595
(PDZ)
4 GLN A  18
THR A  20
LEU A  76
LEU A  63
None
1.31A 5m5kB-1whdA:
undetectable
5m5kB-1whdA:
11.16
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.
2bex RIBONUCLEASE
INHIBITOR


(Homo sapiens)
PF13516
(LRR_6)
4 GLN A  87
THR A 113
LEU A  51
LEU A  57
None
1.28A 5m5kB-2bexA:
undetectable
5m5kB-2bexA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus)
PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N)
4 GLN A 523
THR A 522
LEU A 671
LEU A 675
None
1.32A 5m5kB-2bklA:
2.7
5m5kB-2bklA:
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.
2bll PROTEIN YFBG

(Escherichia
coli)
PF01370
(Epimerase)
4 GLN A 639
THR A 641
LEU A 515
LEU A 581
None
1.26A 5m5kB-2bllA:
6.9
5m5kB-2bllA:
20.84
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.
2ci6 NG,
NG-DIMETHYLARGININE
DIMETHYLAMINOHYDROLA
SE 1


(Bos taurus)
PF02274
(Amidinotransf)
4 GLN A  60
THR A  13
LEU A 108
LEU A 111
None
0.90A 5m5kB-2ci6A:
undetectable
5m5kB-2ci6A:
21.50
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.
2dkk CYTOCHROME P450

(Streptomyces
coelicolor)
PF00067
(p450)
4 GLN A 365
THR A 366
LEU A 147
LEU A 152
None
1.14A 5m5kB-2dkkA:
undetectable
5m5kB-2dkkA:
24.10
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.
2e1o HOMEOBOX PROTEIN PRH

(Homo sapiens)
PF00046
(Homeobox)
4 GLN A  29
THR A  28
LEU A  44
LEU A  40
None
1.24A 5m5kB-2e1oA:
undetectable
5m5kB-2e1oA:
10.08
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.
2exa PENICILLIN-BINDING
PROTEIN 4


(Escherichia
coli)
PF02113
(Peptidase_S13)
4 GLN A 158
THR A 157
LEU A 178
LEU A 244
None
1.03A 5m5kB-2exaA:
undetectable
5m5kB-2exaA:
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.
2f5u VIRION PROTEIN UL25

(Human
alphaherpesvirus
1)
PF01499
(Herpes_UL25)
4 GLN A 183
THR A 186
LEU A 216
LEU A 212
None
1.21A 5m5kB-2f5uA:
undetectable
5m5kB-2f5uA:
22.10
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.
2g7z CONSERVED
HYPOTHETICAL PROTEIN
SPY1493


(Streptococcus
pyogenes)
PF02645
(DegV)
4 GLN A 122
THR A 259
LEU A 192
LEU A 157
None
HXA  A9136 ( 3.7A)
None
None
0.98A 5m5kB-2g7zA:
undetectable
5m5kB-2g7zA:
21.84
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.
2gh4 PUTATIVE GLYCOSYL
HYDROLASE YTER


(Bacillus
subtilis)
PF07470
(Glyco_hydro_88)
4 GLN A 102
THR A 103
LEU A  47
LEU A  51
None
1.23A 5m5kB-2gh4A:
undetectable
5m5kB-2gh4A:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kub FIMBRIAE-ASSOCIATED
PROTEIN FAP1


(Streptococcus
parasanguinis)
no annotation 4 GLN A 167
THR A 166
LEU A 151
LEU A 148
None
1.18A 5m5kB-2kubA:
undetectable
5m5kB-2kubA:
13.02
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.
2l10 TALIN-1

(Mus musculus)
PF08913
(VBS)
4 GLN A1356
THR A1354
LEU A1305
LEU A1349
None
1.30A 5m5kB-2l10A:
undetectable
5m5kB-2l10A:
17.35
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.
2nef NEGATIVE FACTOR
(F-PROTEIN)


(Human
immunodeficiency
virus 1)
PF00469
(F-protein)
4 GLN A 118
THR A 117
LEU A  97
LEU A  91
None
0.93A 5m5kB-2nefA:
undetectable
5m5kB-2nefA:
15.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nlz CEPHALOSPORIN
ACYLASE


(Bacillus
halodurans)
PF01019
(G_glu_transpept)
4 GLN A 535
THR A  28
LEU A  41
LEU A  38
None
1.28A 5m5kB-2nlzA:
undetectable
5m5kB-2nlzA:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pby GLUTAMINASE

(Geobacillus
kaustophilus)
PF04960
(Glutaminase)
4 GLN A 195
THR A 193
LEU A 171
LEU A 120
None
1.09A 5m5kB-2pbyA:
undetectable
5m5kB-2pbyA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v8n LACTOSE PERMEASE

(Escherichia
coli)
PF01306
(LacY_symp)
4 GLN A 379
THR A 310
LEU A 321
LEU A 318
None
1.16A 5m5kB-2v8nA:
undetectable
5m5kB-2v8nA:
22.81
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.
2wjs LAMININ SUBUNIT
ALPHA-2


(Mus musculus)
PF00054
(Laminin_G_1)
4 GLN A2429
THR A2447
LEU A2456
LEU A2400
None
None
None
CA  A5002 ( 4.7A)
1.17A 5m5kB-2wjsA:
undetectable
5m5kB-2wjsA:
23.34
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.
2x98 ALKALINE PHOSPHATASE

(Halobacterium
salinarum)
PF00245
(Alk_phosphatase)
4 GLN A 323
THR A 322
LEU A 367
LEU A  69
None
1.23A 5m5kB-2x98A:
undetectable
5m5kB-2x98A:
25.67
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.
2z6g B-CATENIN

(Danio rerio)
PF00514
(Arm)
4 GLN A 202
THR A 200
LEU A 220
LEU A 217
None
1.18A 5m5kB-2z6gA:
undetectable
5m5kB-2z6gA:
21.24
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.
3bzm MENAQUINONE-SPECIFIC
ISOCHORISMATE
SYNTHASE


(Escherichia
coli)
PF00425
(Chorismate_bind)
4 GLN A  47
THR A  49
LEU A 125
LEU A 112
None
1.31A 5m5kB-3bzmA:
undetectable
5m5kB-3bzmA:
22.90
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.
3c5w PP2A A SUBUNIT

(Homo sapiens)
PF02985
(HEAT)
PF13646
(HEAT_2)
4 GLN A 514
THR A 518
LEU A 586
LEU A 556
None
1.31A 5m5kB-3c5wA:
undetectable
5m5kB-3c5wA:
20.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE


(Mycobacterium
tuberculosis)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
4 GLN A  73
THR A  74
LEU A 407
LEU A 410
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
0.65A 5m5kB-3ce6A:
60.5
5m5kB-3ce6A:
58.92
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.
3cem GLYCOGEN
PHOSPHORYLASE, LIVER
FORM


(Homo sapiens)
PF00343
(Phosphorylase)
4 GLN A 219
THR A 218
LEU A 293
LEU A 395
None
1.25A 5m5kB-3cemA:
3.9
5m5kB-3cemA:
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.
3ew5 MACRO DOMAIN OF
NON-STRUCTURAL
PROTEIN 3


(Alphacoronavirus
1)
PF01661
(Macro)
4 GLN A 190
THR A 188
LEU A 170
LEU A 166
None
1.03A 5m5kB-3ew5A:
undetectable
5m5kB-3ew5A:
17.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE


(Leishmania
major)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
4 GLN A  56
THR A  57
LEU A 343
LEU A 346
ADN  A 438 (-3.8A)
ADN  A 438 (-4.6A)
NAD  A 439 ( 4.0A)
ADN  A 438 ( 4.8A)
0.60A 5m5kB-3g1uA:
57.1
5m5kB-3g1uA:
60.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE


(Burkholderia
pseudomallei)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
4 GLN A  66
THR A  67
LEU A 385
LEU A 388
RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
NAD  A 601 ( 4.1A)
RAB  A 602 ( 4.7A)
0.55A 5m5kB-3glqA:
60.5
5m5kB-3glqA:
65.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gms PUTATIVE
NADPH:QUINONE
REDUCTASE


(Bacillus
thuringiensis)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
4 GLN A 122
THR A 119
LEU A 162
LEU A 158
None
1.27A 5m5kB-3gmsA:
7.2
5m5kB-3gmsA:
24.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE


(Trypanosoma
brucei)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
4 GLN A  56
THR A  57
LEU A 343
LEU A 346
ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
NAD  A 438 (-4.0A)
ADN  A 439 ( 4.7A)
0.27A 5m5kB-3h9uA:
57.3
5m5kB-3h9uA:
58.85
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.
3hx6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILY1


(Pseudomonas
aeruginosa)
PF05567
(Neisseria_PilC)
4 GLN A 968
THR A 969
LEU A 870
LEU A 908
None
1.27A 5m5kB-3hx6A:
undetectable
5m5kB-3hx6A:
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.
3i7m XAA-PRO DIPEPTIDASE

(Lactobacillus
brevis)
PF01321
(Creatinase_N)
4 GLN A   6
THR A   2
LEU A  44
LEU A  30
None
1.20A 5m5kB-3i7mA:
undetectable
5m5kB-3i7mA:
13.08
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.
3ibh SACCHAROMYCES
CEREVISIAE GTT2


(Saccharomyces
cerevisiae)
PF00043
(GST_C)
PF13417
(GST_N_3)
4 GLN A 147
THR A 136
LEU A  53
LEU A 139
None
None
GSH  A 234 ( 4.6A)
None
1.11A 5m5kB-3ibhA:
undetectable
5m5kB-3ibhA:
21.11
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.
3jq1 SUSD SUPERFAMILY
PROTEIN


(Bacteroides
vulgatus)
PF07980
(SusD_RagB)
PF14322
(SusD-like_3)
4 GLN A 211
THR A 210
LEU A 235
LEU A 238
CA  A   5 (-3.2A)
None
None
None
1.05A 5m5kB-3jq1A:
undetectable
5m5kB-3jq1A:
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.
3msv NUCLEAR IMPORT
ADAPTOR, NRO1


(Schizosaccharomyces
pombe)
PF12753
(Nro1)
4 GLN A 218
THR A 221
LEU A 235
LEU A 264
None
1.27A 5m5kB-3msvA:
undetectable
5m5kB-3msvA:
25.68
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.
3n2o BIOSYNTHETIC
ARGININE
DECARBOXYLASE


(Vibrio
vulnificus)
PF02784
(Orn_Arg_deC_N)
4 GLN A 408
THR A 407
LEU A 457
LEU A 460
None
1.24A 5m5kB-3n2oA:
undetectable
5m5kB-3n2oA:
22.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE


(Brucella
abortus)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
4 GLN A  59
THR A  60
LEU A 378
LEU A 381
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
0.50A 5m5kB-3n58A:
62.1
5m5kB-3n58A:
69.73
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.
3o2x COLLAGENASE 3

(Homo sapiens)
PF00413
(Peptidase_M10)
4 GLN A1263
THR A1149
LEU A1239
LEU A1254
None
None
3O2  A1801 (-4.5A)
None
0.98A 5m5kB-3o2xA:
undetectable
5m5kB-3o2xA:
15.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE


(Lupinus luteus)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
4 GLN A  66
THR A  67
LEU A 395
LEU A 398
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
0.31A 5m5kB-3oneA:
57.3
5m5kB-3oneA:
62.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT


(Komagataella
pastoris)
no annotation 4 GLN I 279
THR I 281
LEU I  99
LEU I  95
None
1.13A 5m5kB-3opyI:
4.2
5m5kB-3opyI:
20.61
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.
3r9b CYTOCHROME P450
164A2


(Mycolicibacterium
smegmatis)
PF00067
(p450)
4 GLN A 304
THR A 403
LEU A  19
LEU A  22
None
D12  A 509 ( 4.6A)
None
None
1.27A 5m5kB-3r9bA:
undetectable
5m5kB-3r9bA:
22.20
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.
3se5 CELL FILAMENTATION
PROTEIN FIC-RELATED
PROTEIN


(Neisseria
meningitidis)
PF02661
(Fic)
4 GLN A 145
THR A 141
LEU A 161
LEU A 160
None
1.27A 5m5kB-3se5A:
undetectable
5m5kB-3se5A:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3shi INTERSTITIAL
COLLAGENASE


(Homo sapiens)
PF00413
(Peptidase_M10)
4 GLN A 257
THR A 145
LEU A 235
LEU A 248
None
1.24A 5m5kB-3shiA:
undetectable
5m5kB-3shiA:
16.81
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.
3snk RESPONSE REGULATOR
CHEY-LIKE PROTEIN


(Mesorhizobium
loti)
no annotation 4 GLN A 100
THR A 101
LEU A  64
LEU A  66
None
1.18A 5m5kB-3snkA:
4.9
5m5kB-3snkA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ttl POLYAMINE TRANSPORT
PROTEIN


(Pseudomonas
aeruginosa)
PF13416
(SBP_bac_8)
4 GLN A 354
THR A 357
LEU A 192
LEU A 187
None
0.89A 5m5kB-3ttlA:
undetectable
5m5kB-3ttlA:
22.36
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.
3ukf UDP-GALACTOPYRANOSE
MUTASE


(Aspergillus
fumigatus)
PF13450
(NAD_binding_8)
4 GLN A 175
THR A 423
LEU A 434
LEU A 430
None
1.32A 5m5kB-3ukfA:
3.4
5m5kB-3ukfA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v6a APOPTOSIS INHIBITOR
5


(Homo sapiens)
PF05918
(API5)
4 GLN A 205
THR A 206
LEU A 216
LEU A 213
None
1.26A 5m5kB-3v6aA:
undetectable
5m5kB-3v6aA:
23.26
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.
3v7p AMIDOHYDROLASE
FAMILY PROTEIN


(Nitratiruptor
sp. SB155-2)
PF01979
(Amidohydro_1)
4 GLN A 367
THR A 113
LEU A 339
LEU A 320
None
1.23A 5m5kB-3v7pA:
undetectable
5m5kB-3v7pA:
21.81
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.
3v96 STROMELYSIN-2

(Homo sapiens)
PF00413
(Peptidase_M10)
4 GLN B 259
THR B 144
LEU B 234
LEU B 250
None
0.98A 5m5kB-3v96B:
undetectable
5m5kB-3v96B:
14.23
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.
4arv PHYTASE

(Yersinia
kristensenii)
PF00328
(His_Phos_2)
4 GLN A 290
THR A 291
LEU A  15
LEU A 303
None
1.14A 5m5kB-4arvA:
undetectable
5m5kB-4arvA:
24.47
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.
4auo INTERSTITIAL
COLLAGENASE


(Homo sapiens)
PF00045
(Hemopexin)
PF00413
(Peptidase_M10)
4 GLN A 238
THR A 126
LEU A 216
LEU A 229
None
1.10A 5m5kB-4auoA:
undetectable
5m5kB-4auoA:
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.
4bc5 XYLULOSE KINASE

(Homo sapiens)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
4 GLN A 223
THR A 163
LEU A 241
LEU A 234
None
1.01A 5m5kB-4bc5A:
undetectable
5m5kB-4bc5A:
22.89
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.
4ccs CBIX

(Paracoccus
pantotrophus)
PF01903
(CbiX)
4 GLN A 113
THR A 112
LEU A 178
LEU A 206
None
1.09A 5m5kB-4ccsA:
undetectable
5m5kB-4ccsA:
20.46
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.
4ccy CARBOXYLESTERASE
YBFK


(Bacillus
subtilis)
PF12697
(Abhydrolase_6)
4 GLN B 228
THR B 226
LEU B 140
LEU B 141
None
1.32A 5m5kB-4ccyB:
4.8
5m5kB-4ccyB:
22.59
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.
4eo3 BACTERIOFERRITIN
COMIGRATORY
PROTEIN/NADH
DEHYDROGENASE


(Thermotoga
maritima)
PF00578
(AhpC-TSA)
PF00881
(Nitroreductase)
4 GLN A 254
THR A 253
LEU A 167
LEU A 170
None
1.26A 5m5kB-4eo3A:
3.0
5m5kB-4eo3A:
21.50
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.
4fvl COLLAGENASE 3

(Homo sapiens)
PF00045
(Hemopexin)
PF00413
(Peptidase_M10)
4 GLN A 263
THR A 149
LEU A 239
LEU A 254
None
1.00A 5m5kB-4fvlA:
undetectable
5m5kB-4fvlA:
22.09
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.
4ilg A1 CISTRON-SPLICING
FACTOR AAR2


(Saccharomyces
cerevisiae)
PF05282
(AAR2)
4 GLN A 242
THR A 179
LEU A 205
LEU A 249
None
1.31A 5m5kB-4ilgA:
undetectable
5m5kB-4ilgA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j6e UDP-2,3-DIACYLGLUCOS
AMINE
PYROPHOSPHATASE LPXI


(Caulobacter
vibrioides)
PF06230
(DUF1009)
4 GLN A 169
THR A 187
LEU A 134
LEU A 252
UDG  A 301 (-3.8A)
UDG  A 301 (-3.8A)
None
None
1.00A 5m5kB-4j6eA:
undetectable
5m5kB-4j6eA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k1p NHEA

(Bacillus cereus)
PF05791
(Bacillus_HBL)
4 GLN A 346
THR A 347
LEU A 297
LEU A 300
None
1.32A 5m5kB-4k1pA:
undetectable
5m5kB-4k1pA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ler PUTATIVE OUTER
MEMBRANE PROTEIN,
PROBABLY INVOLVED IN
NUTRIENT BINDING


(Bacteroides
vulgatus)
PF12771
(SusD-like_2)
4 GLN A 282
THR A 283
LEU A 268
LEU A 276
None
1.29A 5m5kB-4lerA:
undetectable
5m5kB-4lerA:
23.49
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.
4lnz UNCONVENTIONAL
MYOSIN-VB


(Homo sapiens)
PF01843
(DIL)
4 GLN A1735
THR A1736
LEU A1728
LEU A1723
None
1.20A 5m5kB-4lnzA:
undetectable
5m5kB-4lnzA:
21.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)


(Bradyrhizobium
elkanii)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
4 GLN A  62
THR A  63
LEU A 383
LEU A 386
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 3.9A)
ADN  A 501 ( 4.7A)
0.10A 5m5kB-4lvcA:
69.4
5m5kB-4lvcA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m0q MEMBRANE-ASSOCIATED
PROTEIN VP24


(Zaire
ebolavirus)
PF06389
(Filo_VP24)
4 GLN A  33
THR A  34
LEU A  94
LEU A  91
None
1.18A 5m5kB-4m0qA:
undetectable
5m5kB-4m0qA:
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.
4m8s PUTATIVE
3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE


(Neisseria
meningitidis)
PF13561
(adh_short_C2)
4 GLN A 230
THR A   3
LEU A  28
LEU A 224
None
1.23A 5m5kB-4m8sA:
8.3
5m5kB-4m8sA:
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.
4nmy ABC-TYPE TRANSPORT
SYSTEM,
EXTRACELLULAR
SOLUTE-BINDING
PROTEIN


(Clostridioides
difficile)
PF09084
(NMT1)
4 GLN A  63
THR A 191
LEU A 183
LEU A 187
None
VIB  A 401 (-3.0A)
None
None
1.31A 5m5kB-4nmyA:
undetectable
5m5kB-4nmyA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4phc HISTIDINE--TRNA
LIGASE, CYTOPLASMIC


(Homo sapiens)
PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His)
4 GLN A 410
THR A 409
LEU A 427
LEU A 431
None
1.04A 5m5kB-4phcA:
undetectable
5m5kB-4phcA:
24.13
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.
4pw0 ALPHA/BETA HYDROLASE
FOLD PROTEIN


(Chitinophaga
pinensis)
PF00561
(Abhydrolase_1)
4 GLN A  40
THR A  45
LEU A 178
LEU A 181
None
1.10A 5m5kB-4pw0A:
2.8
5m5kB-4pw0A:
20.93
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.
4r7o GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE,
PUTATIVE


(Bacillus
anthracis)
PF03009
(GDPD)
4 GLN A  80
THR A 135
LEU A 170
LEU A 169
None
1.30A 5m5kB-4r7oA:
2.1
5m5kB-4r7oA:
21.67
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.
4rl5 EXOCYST COMPLEX
COMPONENT EXO70A1


(Arabidopsis
thaliana)
PF03081
(Exo70)
4 GLN A 424
THR A 420
LEU A 332
LEU A 336
None
1.00A 5m5kB-4rl5A:
undetectable
5m5kB-4rl5A:
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.
4tu3 PHOSPHOINOSITIDE
PHOSPHATASE SAC1


(Saccharomyces
cerevisiae)
PF02383
(Syja_N)
4 GLN X 254
THR X 390
LEU X 359
LEU X 356
None
1.14A 5m5kB-4tu3X:
undetectable
5m5kB-4tu3X:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x0q DNA POLYMERASE THETA

(Homo sapiens)
PF00476
(DNA_pol_A)
4 GLN A2441
THR A2442
LEU A2064
LEU A2069
None
1.01A 5m5kB-4x0qA:
undetectable
5m5kB-4x0qA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x82 ZINC TRANSPORTER
ZIP4


(Pteropus alecto)
no annotation 4 GLN B 140
THR B 143
LEU B 176
LEU B 179
None
1.05A 5m5kB-4x82B:
undetectable
5m5kB-4x82B:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT A


(Oryctolagus
cuniculus)
PF01399
(PCI)
4 GLN A  79
THR A  42
LEU A  55
LEU A  52
None
1.02A 5m5kB-5a5tA:
undetectable
5m5kB-5a5tA:
13.58
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.
5h5b THYMIDYLATE KINASE

(Aquifex
aeolicus)
no annotation 4 GLN B  99
THR B  95
LEU B  46
LEU B  50
None
1.23A 5m5kB-5h5bB:
undetectable
5m5kB-5h5bB:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hi9 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 2


(Rattus
norvegicus)
PF00520
(Ion_trans)
PF12796
(Ank_2)
4 GLN A 222
THR A 220
LEU A 230
LEU A 229
None
1.30A 5m5kB-5hi9A:
undetectable
5m5kB-5hi9A:
19.49
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.
5k3h ACYL-COENZYME A
OXIDASE


(Caenorhabditis
elegans)
PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N)
4 GLN A  84
THR A  83
LEU A  51
LEU A  57
None
1.25A 5m5kB-5k3hA:
undetectable
5m5kB-5k3hA:
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.
5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME


(Pseudomonas
savastanoi)
PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N)
4 GLN A   5
THR A   6
LEU A 147
LEU A  26
None
1.14A 5m5kB-5lunA:
undetectable
5m5kB-5lunA:
22.66
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.
5txr 5-AMINOLEVULINATE
SYNTHASE,
MITOCHONDRIAL


(Saccharomyces
cerevisiae)
no annotation 4 GLN B 395
THR B 392
LEU B 126
LEU B 124
None
1.31A 5m5kB-5txrB:
2.4
5m5kB-5txrB:
9.62
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.
5ve8 KAP123

(Kluyveromyces
lactis)
no annotation 4 GLN A 395
THR A 392
LEU A 366
LEU A 362
None
0.91A 5m5kB-5ve8A:
undetectable
5m5kB-5ve8A:
18.62
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.
5zal ENDORIBONUCLEASE
DICER


(Homo sapiens)
no annotation 4 GLN A1073
THR A1074
LEU A1567
LEU A1566
None
1.16A 5m5kB-5zalA:
undetectable
5m5kB-5zalA:
9.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE


(Elizabethkingia
anophelis)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
4 GLN A  62
THR A  63
LEU A 349
LEU A 352
ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 4.8A)
0.63A 5m5kB-6aphA:
30.1
5m5kB-6aphA:
60.62
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.
6dll P-HYDROXYBENZOATE
HYDROXYLASE


(Pseudomonas
putida)
no annotation 4 GLN A   4
THR A   3
LEU A  17
LEU A  21
None
1.20A 5m5kB-6dllA:
2.6
5m5kB-6dllA:
10.53
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.
6f3m -

(-)
no annotation 4 GLN B  65
THR B  66
LEU B 373
LEU B 376
K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
NAD  B 501 ( 3.9A)
ADN  B 502 ( 4.8A)
0.19A 5m5kB-6f3mB:
53.1
5m5kB-6f3mB:
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.
6gbn -

(-)
no annotation 4 GLN A  60
THR A  61
LEU A 347
LEU A 350
NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
NAD  A 502 (-3.9A)
ADN  A 501 ( 4.7A)
0.15A 5m5kB-6gbnA:
31.4
5m5kB-6gbnA:
undetectable