SIMILAR PATTERNS OF AMINO ACIDS FOR 5V96_C_ADNC502_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.
1aua PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
SEC14P


(Saccharomyces
cerevisiae)
PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N)
5 THR A  25
ASP A  20
LYS A 116
ASP A 117
LEU A  22
None
1.28A 5v96C-1auaA:
undetectable
5v96C-1auaA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.16A 5v96C-1g7rA:
undetectable
5v96C-1g7rA:
23.39
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.
1h3e TYROSYL-TRNA
SYNTHETASE


(Thermus
thermophilus)
PF00579
(tRNA-synt_1b)
5 LEU A 269
LEU A 243
GLY A 242
HIS A  52
MET A 233
None
None
None
ATP  A1433 (-4.3A)
None
1.40A 5v96C-1h3eA:
3.7
5v96C-1h3eA:
22.52
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.
1t1u CHOLINE
O-ACETYLTRANSFERASE


(Rattus
norvegicus)
PF00755
(Carn_acyltransf)
5 LEU A 516
LEU A  31
GLY A  62
MET A 533
PHE A 534
None
1.48A 5v96C-1t1uA:
undetectable
5v96C-1t1uA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tj7 ARGININOSUCCINATE
LYASE


(Escherichia
coli)
PF00206
(Lyase_1)
PF14698
(ASL_C2)
5 LEU A 103
HIS A 104
ASP A  33
LEU A   3
HIS A  85
None
1.39A 5v96C-1tj7A:
undetectable
5v96C-1tj7A:
22.59
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)
7 HIS A  54
ASP A 134
GLU A 200
LYS A 230
ASP A 234
LEU A 389
HIS A 398
ADN  A 502 (-4.1A)
ADN  A 502 (-3.1A)
ADN  A 502 (-4.0A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
NAD  A 501 ( 3.8A)
ADN  A 502 ( 3.5A)
1.47A 5v96C-1v8bA:
61.1
5v96C-1v8bA:
55.58
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
LYS A 230
ASP A 234
LEU A 392
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)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.7A)
ADN  A 502 ( 3.5A)
ADN  A 502 (-3.6A)
None
0.25A 5v96C-1v8bA:
61.1
5v96C-1v8bA:
55.58
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.
2bb0 IMIDAZOLONEPROPIONAS
E


(Bacillus
subtilis)
PF01979
(Amidohydro_1)
5 LEU A 103
GLU A 223
LEU A 301
HIS A 272
PHE A 221
None
1.32A 5v96C-2bb0A:
2.0
5v96C-2bb0A:
24.49
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.
2bq8 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5


(Homo sapiens)
PF00149
(Metallophos)
5 THR X 136
ASP X  91
ASP X  12
LEU X  86
GLY X 183
None
None
FE2  X1305 (-3.1A)
None
None
1.18A 5v96C-2bq8X:
undetectable
5v96C-2bq8X:
22.25
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.
2eh0 KINESIN-LIKE PROTEIN
KIF1B


(Homo sapiens)
PF00498
(FHA)
PF16183
(Kinesin_assoc)
5 LEU A  11
LEU A  48
GLY A  36
HIS A  57
PHE A  60
None
1.27A 5v96C-2eh0A:
undetectable
5v96C-2eh0A:
13.47
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.
2g1l KINESIN-LIKE PROTEIN
KIF1C


(Homo sapiens)
PF00498
(FHA)
PF16183
(Kinesin_assoc)
5 LEU A 501
LEU A 534
GLY A 526
HIS A 543
PHE A 546
None
1.10A 5v96C-2g1lA:
undetectable
5v96C-2g1lA:
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.
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 5v96C-2hfqA:
undetectable
5v96C-2hfqA:
12.39
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.
2hp3 IDS-EPIMERASE

(Agrobacterium
tumefaciens)
PF03972
(MmgE_PrpD)
5 LEU A 263
ASP A  91
LEU A 104
GLY A 159
MET A  96
None
1.32A 5v96C-2hp3A:
undetectable
5v96C-2hp3A:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.37A 5v96C-2pqdA:
undetectable
5v96C-2pqdA:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q09 IMIDAZOLONEPROPIONAS
E


(unidentified)
PF01979
(Amidohydro_1)
5 THR A 285
GLU A 139
ASP A 212
LEU A 287
HIS A 242
None
None
None
None
FE  A 500 ( 3.5A)
1.35A 5v96C-2q09A:
2.6
5v96C-2q09A:
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.
2xsr CATECHOL 1,2
DIOXYGENASE


(Acinetobacter
radioresistens)
PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N)
5 ASP A 246
LEU A 207
GLY A 214
HIS A 213
PHE A 250
None
1.36A 5v96C-2xsrA:
undetectable
5v96C-2xsrA:
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.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense)
PF00326
(Peptidase_S9)
5 THR A 531
ASP A 445
LEU A 533
GLY A 509
PHE A 449
None
1.28A 5v96C-3azqA:
undetectable
5v96C-3azqA:
21.04
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 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
1.14A 5v96C-3ce6A:
60.7
5v96C-3ce6A:
58.12
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
LYS A 248
ASP A 252
LEU A 410
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)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
0.52A 5v96C-3ce6A:
60.7
5v96C-3ce6A:
58.12
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
LEU A 346
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)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.8A)
ADN  A 438 ( 3.6A)
ADN  A 438 (-3.7A)
None
0.50A 5v96C-3g1uA:
56.8
5v96C-3g1uA:
57.20
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)
6 ASP A 139
GLU A 199
LYS A 229
ASP A 233
LEU A 385
HIS A 394
RAB  A 602 (-3.0A)
RAB  A 602 (-4.6A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
NAD  A 601 ( 4.1A)
NAD  A 601 ( 3.6A)
1.27A 5v96C-3glqA:
59.7
5v96C-3glqA:
58.88
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
ASP A 233
MET A 399
RAB  A 602 (-3.8A)
RAB  A 602 (-4.5A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 (-3.6A)
1.39A 5v96C-3glqA:
59.7
5v96C-3glqA:
58.88
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
LYS A 229
ASP A 233
LEU A 388
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)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
None
0.40A 5v96C-3glqA:
59.7
5v96C-3glqA:
58.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gvp ADENOSYLHOMOCYSTEINA
SE 3


(Homo sapiens)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 HIS A 234
THR A 239
ASP A 310
GLU A 335
LYS A 365
None
1.49A 5v96C-3gvpA:
42.9
5v96C-3gvpA:
46.67
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.
3h3e UNCHARACTERIZED
PROTEIN TM1679


(Thermotoga
maritima)
PF00753
(Lactamase_B)
5 LEU A 198
HIS A 196
ASP A   9
GLY A 194
HIS A 224
None
1.26A 5v96C-3h3eA:
undetectable
5v96C-3h3eA:
20.25
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)
7 HIS A  52
ASP A 130
GLU A 155
LYS A 185
ASP A 189
LEU A 343
HIS A 352
ADN  A 439 ( 4.7A)
None
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-4.0A)
ADN  A 439 ( 3.3A)
1.40A 5v96C-3h9uA:
57.2
5v96C-3h9uA:
55.69
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
LYS A 185
ASP A 189
LEU A 346
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 ( 3.9A)
NAD  A 438 ( 4.4A)
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.3A)
ADN  A 439 ( 3.7A)
None
0.18A 5v96C-3h9uA:
57.2
5v96C-3h9uA:
55.69
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)
6 LEU A  54
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
None
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
0.96A 5v96C-3n58A:
59.5
5v96C-3n58A:
60.04
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)
12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
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)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
0.21A 5v96C-3n58A:
59.5
5v96C-3n58A:
60.04
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)
6 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
1.26A 5v96C-3oneA:
58.8
5v96C-3oneA:
65.11
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
LYS A 235
ASP A 239
LEU A 398
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 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
0.48A 5v96C-3oneA:
58.8
5v96C-3oneA:
65.11
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.
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
0.87A 5v96C-3pf7A:
undetectable
5v96C-3pf7A:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.40A 5v96C-3rreA:
6.1
5v96C-3rreA:
23.66
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri)
PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70)
5 LEU A1768
ASP A1767
ASP A1526
GLY A 976
HIS A1527
None
None
None
SO4  A2808 (-3.4A)
None
1.35A 5v96C-4aygA:
undetectable
5v96C-4aygA:
18.38
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.
4c1n CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE,
IRON-SULFUR PROTEIN


(Carboxydothermus
hydrogenoformans)
PF03599
(CdhD)
5 LEU B 305
ASP B  31
GLY B 287
HIS B 288
PHE B  36
None
1.45A 5v96C-4c1nB:
undetectable
5v96C-4c1nB:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ct4 CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1


(Homo sapiens)
PF16415
(CNOT1_CAF1_bind)
5 LEU A1298
GLU A1267
ASP A1269
LEU A1227
GLY A1223
None
1.41A 5v96C-4ct4A:
undetectable
5v96C-4ct4A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cw4 BETA-KETOACYL
SYNTHASE


(Pseudomonas
aeruginosa)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 HIS A  23
ASP A 581
ASP A 196
GLY A  17
PHE A  10
None
1.23A 5v96C-4cw4A:
undetectable
5v96C-4cw4A:
24.32
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.
4egx KINESIN-LIKE PROTEIN
KIF1A


(Homo sapiens)
PF00498
(FHA)
PF16183
(Kinesin_assoc)
5 LEU A 494
LEU A 531
GLY A 519
HIS A 540
PHE A 543
None
1.13A 5v96C-4egxA:
undetectable
5v96C-4egxA:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ejq KINESIN-LIKE PROTEIN
KIF1A


(Homo sapiens)
PF00498
(FHA)
PF16183
(Kinesin_assoc)
5 LEU A 494
LEU A 531
GLY A 519
HIS A 540
PHE A 543
None
1.08A 5v96C-4ejqA:
undetectable
5v96C-4ejqA:
16.15
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.
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)
1.46A 5v96C-4ggvA:
undetectable
5v96C-4ggvA:
22.46
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)
7 HIS A  58
ASP A 135
GLU A 197
LYS A 227
ASP A 231
LEU A 383
HIS A 392
ADN  A 501 (-4.0A)
ADN  A 501 (-3.0A)
ADN  A 501 (-3.6A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
NAD  A 503 ( 3.9A)
ADN  A 501 (-3.5A)
1.42A 5v96C-4lvcA:
62.8
5v96C-4lvcA:
62.47
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
LYS A 227
ASP A 231
LEU A 386
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)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
0.15A 5v96C-4lvcA:
62.8
5v96C-4lvcA:
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.
4mo9 PERIPLASMIC BINDING
PROTEIN


(Veillonella
parvula)
PF01497
(Peripla_BP_2)
5 ASP A  77
LEU A 314
GLY A 313
MET A  78
PHE A  82
None
1.38A 5v96C-4mo9A:
undetectable
5v96C-4mo9A:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q0w DNA REPAIR PROTEIN
RAD2


(Saccharomyces
cerevisiae)
PF00752
(XPG_N)
PF00867
(XPG_I)
5 THR A 811
ASP A  77
GLU A 792
LYS A  84
ASP A 864
None
None
CA  A1001 (-4.5A)
CA  A1001 ( 4.3A)
CA  A1001 (-4.2A)
1.46A 5v96C-4q0wA:
2.8
5v96C-4q0wA:
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.
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 5v96C-4qiwB:
undetectable
5v96C-4qiwB:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4utg SUGAR KINASE

(Burkholderia
pseudomallei)
PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
5 LEU A 198
LEU A  14
GLY A  15
MET A 261
PHE A 257
None
None
CL  A 402 ( 3.7A)
None
None
1.26A 5v96C-4utgA:
undetectable
5v96C-4utgA:
23.25
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.
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)
1.04A 5v96C-4uy6A:
2.6
5v96C-4uy6A:
22.92
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.
5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA


(Methylobacillus
flagellatus)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
5 LEU C  81
THR C 142
GLU C  44
ASP C 227
HIS C 201
PYR  C2001 (-4.7A)
None
None
None
None
1.24A 5v96C-5ks8C:
undetectable
5v96C-5ks8C:
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.
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)
1.42A 5v96C-5uq6A:
undetectable
5v96C-5uq6A:
20.33
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)
7 HIS A  53
ASP A 137
GLU A 211
LYS A 241
ASP A 245
LEU A 401
HIS A 410
SAH  A 502 (-4.0A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.8A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
NAD  A 501 (-4.1A)
SAH  A 502 ( 3.5A)
1.46A 5v96C-5utuA:
56.0
5v96C-5utuA:
54.62
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
LYS A 241
ASP A 245
LEU A 404
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)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
SAH  A 502 ( 4.7A)
SAH  A 502 ( 3.7A)
SAH  A 502 ( 3.5A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
0.22A 5v96C-5utuA:
56.0
5v96C-5utuA:
54.62
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.
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
1.31A 5v96C-5vywA:
2.8
5v96C-5vywA:
18.82
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)
6 LEU A  54
ASP A 131
LYS A 186
ASP A 190
HIS A 353
PHE A 362
None
None
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.5A)
None
0.98A 5v96C-5w4bA:
47.6
5v96C-5w4bA:
56.11
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)
6 LEU A  54
ASP A 131
LYS A 186
HIS A 353
MET A 358
PHE A 362
None
None
None
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
0.74A 5v96C-5w4bA:
47.6
5v96C-5w4bA:
56.11
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)
8 LEU A  54
HIS A  55
THR A  57
ASP A 131
GLU A 156
LYS A 186
MET A 358
PHE A 362
None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
9W4  A 502 (-3.6A)
None
0.70A 5v96C-5w4bA:
47.6
5v96C-5w4bA:
56.11
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 LEU A  54
HIS A  55
THR A  57
ASP A 131
LYS A 186
ASP A 190
PHE A 362
None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
NAD  A 501 (-4.1A)
None
0.75A 5v96C-5w4bA:
47.6
5v96C-5w4bA:
56.11
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 LYS A 186
ASP A 190
GLY A 352
HIS A 353
PHE A 362
None
NAD  A 501 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
None
0.99A 5v96C-5w4bA:
47.6
5v96C-5w4bA:
56.11
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 LYS A 186
ASP A 190
LEU A 347
GLY A 352
HIS A 353
None
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
0.95A 5v96C-5w4bA:
47.6
5v96C-5w4bA:
56.11
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 LYS A 186
GLY A 352
HIS A 353
MET A 358
PHE A 362
None
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
0.76A 5v96C-5w4bA:
47.6
5v96C-5w4bA:
56.11
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 LYS A 186
LEU A 347
GLY A 352
HIS A 353
MET A 358
None
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
0.69A 5v96C-5w4bA:
47.6
5v96C-5w4bA:
56.11
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.
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
1.35A 5v96C-5xgsA:
undetectable
5v96C-5xgsA:
22.47
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)
6 LEU A  57
ASP A 136
GLU A 161
LYS A 191
ASP A 195
LEU A 349
None
ADN  A 501 (-3.0A)
ADN  A 501 (-2.5A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
NAD  A 500 ( 4.3A)
1.14A 5v96C-6aphA:
57.3
5v96C-6aphA:
58.23
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
LYS A 191
ASP A 195
LEU A 352
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)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
0.51A 5v96C-6aphA:
57.3
5v96C-6aphA:
58.23
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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus)
no annotation 5 LEU A 247
ASP A 405
GLY A 311
HIS A 310
PHE A 305
None
1.45A 5v96C-6ceyA:
undetectable
5v96C-6ceyA:
10.62
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 7 HIS B  61
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 373
HIS B 382
ADN  B 502 ( 4.0A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-3.6A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
NAD  B 501 ( 3.9A)
ADN  B 502 (-3.4A)
1.39A 5v96C-6f3mB:
53.2
5v96C-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 11 HIS B  61
THR B  63
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 376
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)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
ADN  B 502 ( 4.8A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.4A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
0.19A 5v96C-6f3mB:
53.2
5v96C-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 7 HIS A  56
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 347
HIS A 356
ADN  A 501 (-3.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-3.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
NAD  A 502 (-3.9A)
ADN  A 501 (-3.4A)
1.41A 5v96C-6gbnA:
28.4
5v96C-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
LYS A 189
ASP A 193
LEU A 350
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)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
None
0.16A 5v96C-6gbnA:
28.4
5v96C-6gbnA:
undetectable