SIMILAR PATTERNS OF AMINO ACIDS FOR 5M5K_B_ADNB502_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.
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