SIMILAR PATTERNS OF AMINO ACIDS FOR 6F3N_D_ADND506_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.
1ac5 KEX1(DELTA)P

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		5 HIS A 150
ASP A 141
LEU A  49
LEU A  36
PHE A 185
 None
 1.28A 6f3nD-1ac5A:
4.3		 6f3nD-1ac5A:
21.43
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.
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
 1.26A 6f3nD-1auaA:
undetectable		 6f3nD-1auaA:
20.08
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.
1eqw CU,ZN SUPEROXIDE
DISMUTASE

(Salmonella
enterica) 		PF00080
(Sod_Cu) 		5 HIS A  78
ASP A  81
LEU A 135
GLY A  60
HIS A  46
 ZN  A 501 (-3.0A)
ZN  A 501 (-2.4A)
None
None
CU  A 502 (-3.2A)
 1.23A 6f3nD-1eqwA:
undetectable		 6f3nD-1eqwA:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eso CU, ZN SUPEROXIDE
DISMUTASE

(Escherichia
coli) 		PF00080
(Sod_Cu) 		5 HIS A  78
ASP A  81
LEU A 135
GLY A  60
HIS A  46
 ZN  A 149 ( 3.0A)
ZN  A 149 ( 2.4A)
None
None
CU  A 150 ( 3.3A)
 1.27A 6f3nD-1esoA:
undetectable		 6f3nD-1esoA:
17.27
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.
1lbu MURAMOYL-PENTAPEPTID
E CARBOXYPEPTIDASE

(Streptomyces
albus) 		PF01471
(PG_binding_1)
PF08291
(Peptidase_M15_3) 		5 THR A 115
GLU A 183
LEU A 162
GLY A 136
HIS A 154
 None
None
None
None
ZN  A 214 ( 3.3A)
 1.37A 6f3nD-1lbuA:
undetectable		 6f3nD-1lbuA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oal SUPEROXIDE DISMUTASE

(Photobacterium
leiognathi) 		PF00080
(Sod_Cu) 		5 HIS A  88
ASP A  91
LEU A 138
GLY A  69
HIS A  47
 ZN  A 152 (-3.0A)
ZN  A 152 (-2.2A)
None
None
CU  A 153 (-3.1A)
 1.27A 6f3nD-1oalA:
undetectable		 6f3nD-1oalA:
15.03
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)
 1.49A 6f3nD-1v8bA:
51.6		 6f3nD-1v8bA:
44.16
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 HIS A  54
THR A  56
ASP A 134
GLU A 200
LYS A 230
ASP A 234
LEU A 389
LEU A 392
GLY A 397
HIS A 398
MET A 403
PHE A 407
 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)
NAD  A 501 ( 3.8A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.7A)
ADN  A 502 ( 3.5A)
ADN  A 502 (-3.6A)
None
 0.46A 6f3nD-1v8bA:
51.6		 6f3nD-1v8bA:
44.16
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.
2a5z HYPOTHETICAL PROTEIN
SO2946

(Shewanella
oneidensis) 		no annotation 5 HIS A 227
THR A 141
LEU A  71
LEU A 104
GLY A 144
 None
 1.48A 6f3nD-2a5zA:
undetectable		 6f3nD-2a5zA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aps PROTEIN (CU,ZN
SUPEROXIDE
DISMUTASE)

(Actinobacillus
pleuropneumoniae) 		PF00080
(Sod_Cu) 		5 HIS A 103
ASP A 106
LEU A 154
GLY A  84
HIS A  62
 ZN  A 400 ( 3.2A)
ZN  A 400 (-2.2A)
None
None
CU  A 402 ( 3.4A)
 1.21A 6f3nD-2apsA:
undetectable		 6f3nD-2apsA:
16.11
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.
2aqt SUPEROXIDE DISMUTASE
[CU-ZN]

(Neisseria
meningitidis) 		no annotation 5 HIS C 122
ASP C 125
LEU C 173
GLY C 103
HIS C  81
 ZN  C 201 (-3.1A)
ZN  C 201 (-2.2A)
None
None
CU1  C 200 (-3.3A)
 1.29A 6f3nD-2aqtC:
undetectable		 6f3nD-2aqtC:
17.34
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.
2ftz GERANYLTRANSTRANSFER
ASE

(Thermotoga
maritima) 		PF00348
(polyprenyl_synt) 		5 ASP A  48
LEU A 259
GLY A 249
MET A 186
PHE A 176
 None
MLY  A 263 ( 4.6A)
MLY  A 248 ( 2.4A)
None
MLY  A 181 ( 4.5A)
 1.23A 6f3nD-2ftzA:
undetectable		 6f3nD-2ftzA:
19.92
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.
2o96 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 7

(Homo sapiens) 		PF01398
(JAB) 		5 ASP A  65
ASP A 105
GLY A  98
HIS A  96
PHE A  58
 None
 1.49A 6f3nD-2o96A:
undetectable		 6f3nD-2o96A:
15.50
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.
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 6f3nD-2pqdA:
undetectable		 6f3nD-2pqdA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.38A 6f3nD-2q09A:
4.0		 6f3nD-2q09A:
23.56
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.
2vo9 L-ALANYL-D-GLUTAMATE
PEPTIDASE

(Listeria phage
A500) 		PF13539
(Peptidase_M15_4) 		5 THR A  25
GLU A 135
LEU A  88
GLY A  48
HIS A  80
 None
None
None
None
ZN  A 501 ( 3.2A)
 1.25A 6f3nD-2vo9A:
undetectable		 6f3nD-2vo9A:
19.02
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.
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)
 1.31A 6f3nD-2wabA:
6.6		 6f3nD-2wabA:
19.83
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.
2wwo SUPEROXIDE DISMUTASE
[CU-ZN]

(Yersinia
pseudotuberculosis) 		PF00080
(Sod_Cu) 		5 HIS A  97
ASP A 100
LEU A 148
GLY A  78
HIS A  56
 ZN  A1162 (-3.2A)
ZN  A1162 (-2.3A)
None
None
ZN  A1165 (-3.4A)
 1.31A 6f3nD-2wwoA:
undetectable		 6f3nD-2wwoA:
18.87
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.
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
 1.34A 6f3nD-2xsrA:
undetectable		 6f3nD-2xsrA:
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.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense) 		PF00326
(Peptidase_S9) 		5 THR A 531
ASP A 445
LEU A 533
GLY A 509
PHE A 449
 None
 1.32A 6f3nD-3azqA:
4.5		 6f3nD-3azqA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		5 THR A 271
ASP A 300
LEU A  60
GLY A 262
HIS A 265
 None
 1.10A 6f3nD-3b1rA:
5.0		 6f3nD-3b1rA:
22.41
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)
 1.18A 6f3nD-3ce6A:
52.9		 6f3nD-3ce6A:
49.24
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
LYS A 248
ASP A 252
LEU A 410
HIS A 416
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
 1.28A 6f3nD-3ce6A:
52.9		 6f3nD-3ce6A:
49.24
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 HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 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)
NAD  A 550 (-4.2A)
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 6f3nD-3ce6A:
52.9		 6f3nD-3ce6A:
49.24
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 HIS A  52
THR A  54
ASP A 130
GLU A 155
LEU A 343
LEU A 346
GLY A 351
HIS A 352
MET A 357
PHE A 361
 ADN  A 438 (-4.0A)
ADN  A 438 (-2.8A)
ADN  A 438 (-4.1A)
ADN  A 438 (-3.8A)
NAD  A 439 ( 4.0A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.8A)
ADN  A 438 ( 3.6A)
ADN  A 438 (-3.7A)
None
 0.50A 6f3nD-3g1uA:
55.7		 6f3nD-3g1uA:
55.02
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)
 1.29A 6f3nD-3glqA:
54.0		 6f3nD-3glqA:
52.65
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 HIS A  62
THR A  64
ASP A 139
GLU A 199
LYS A 229
ASP A 233
LEU A 385
LEU A 388
GLY A 393
HIS A 394
MET A 399
PHE A 403
 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)
NAD  A 601 ( 4.1A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
None
 0.37A 6f3nD-3glqA:
54.0		 6f3nD-3glqA:
52.65
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.
3goh ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Shewanella
oneidensis) 		PF08240
(ADH_N) 		5 ASP A  64
LEU A 128
LEU A 250
GLY A 251
HIS A 254
 None
None
GOL  A 316 (-4.7A)
GOL  A 316 (-2.9A)
None
 1.46A 6f3nD-3gohA:
8.3		 6f3nD-3gohA:
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.
3h4x PHOSPHATIDYLINOSITOL
-SPECIFIC
PHOSPHOLIPASE C1

(Streptomyces
antibioticus) 		PF16670
(PI-PLC-C1) 		5 HIS A 216
ASP A 146
LEU A 220
GLY A 215
PHE A 134
 EOH  A 353 (-3.9A)
None
None
None
None
 1.46A 6f3nD-3h4xA:
undetectable		 6f3nD-3h4xA:
21.56
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)
 1.42A 6f3nD-3h9uA:
56.9		 6f3nD-3h9uA:
55.19
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 HIS A  52
THR A  54
ASP A 130
GLU A 155
LYS A 185
ASP A 189
LEU A 343
LEU A 346
GLY A 351
HIS A 352
MET A 357
PHE A 361
 ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
None
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-4.0A)
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.3A)
ADN  A 439 ( 3.7A)
None
 0.30A 6f3nD-3h9uA:
56.9		 6f3nD-3h9uA:
55.19
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.
3l9j TNFALPHA

(Homo sapiens) 		PF00059
(Lectin_C) 		5 GLU C  92
LYS C  59
LEU C 155
LEU C 112
GLY C 113
 None
 1.48A 6f3nD-3l9jC:
undetectable		 6f3nD-3l9jC:
13.89
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) 		7 HIS A  55
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-4.0A)
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)
ADN  A 500 (-3.4A)
 1.36A 6f3nD-3n58A:
54.3		 6f3nD-3n58A:
52.36
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 HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 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)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.18A 6f3nD-3n58A:
54.3		 6f3nD-3n58A:
52.36
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) 		7 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.41A 6f3nD-3oneA:
51.8		 6f3nD-3oneA:
47.99
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 HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
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)
 0.26A 6f3nD-3oneA:
51.8		 6f3nD-3oneA:
47.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p54 ENVELOPE
GLYCOPROTEIN

(Japanese
encephalitis
virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		5 ASP A  42
LEU A 371
GLY A 145
HIS A 144
PHE A   1
 None
 1.32A 6f3nD-3p54A:
undetectable		 6f3nD-3p54A:
22.02
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.
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
 1.42A 6f3nD-3rreA:
5.8		 6f3nD-3rreA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wqb OPEN READING FRAME 2

(Aeromonas
sobria) 		no annotation 5 THR B 102
LEU B  96
LEU B  84
GLY B  83
HIS B  82
 None
 1.32A 6f3nD-3wqbB:
undetectable		 6f3nD-3wqbB:
15.38
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.
4ksi LEUCINE
AMINOPEPTIDASE 1,
CHLOROPLASTIC

(Solanum
lycopersicum) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 THR A 433
ASP A 367
LYS A 354
ASP A 427
LEU A 455
 None
MG  A 602 (-2.4A)
MG  A 601 ( 3.8A)
MG  A 601 ( 3.0A)
SO4  A 603 (-3.7A)
 1.33A 6f3nD-4ksiA:
undetectable		 6f3nD-4ksiA:
25.42
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.
4l05 SUPEROXIDE DISMUTASE
[CU-ZN]

(Brucella
abortus) 		PF00080
(Sod_Cu) 		5 HIS A  90
ASP A  93
LEU A 141
GLY A  72
HIS A  50
 ZN  A 203 (-3.1A)
ZN  A 203 (-2.2A)
None
None
CU1  A 201 ( 3.2A)
 1.31A 6f3nD-4l05A:
undetectable		 6f3nD-4l05A:
17.10
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)
 1.45A 6f3nD-4lvcA:
54.9		 6f3nD-4lvcA:
52.05
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 HIS A  58
THR A  60
ASP A 135
GLU A 197
LYS A 227
ASP A 231
LEU A 383
LEU A 386
GLY A 391
HIS A 392
MET A 397
PHE A 401
 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)
NAD  A 503 ( 3.9A)
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)
 0.38A 6f3nD-4lvcA:
54.9		 6f3nD-4lvcA:
52.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 6f3nD-4mo9A:
undetectable		 6f3nD-4mo9A:
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.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 THR A 495
ASP A 914
LEU A 895
LEU A 493
GLY A 899
 None
 1.32A 6f3nD-4mz0A:
undetectable		 6f3nD-4mz0A:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aee ALPHA-GLUCOSIDASE
YIHQ

(Escherichia
coli) 		PF01055
(Glyco_hydro_31) 		5 HIS A 196
ASP A 198
LEU A 242
LEU A 243
GLY A 460
 None
 1.50A 6f3nD-5aeeA:
3.1		 6f3nD-5aeeA:
20.03
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.
5fqd DNA DAMAGE-BINDING
PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 THR A1032
ASP A1092
LEU A 974
LEU A1000
GLY A1001
 None
 1.32A 6f3nD-5fqdA:
undetectable		 6f3nD-5fqdA:
18.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tov ADENOSYLHOMOCYSTEINA
SE

(Thermotoga
maritima) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A 123
THR A 124
ASP A 113
LEU A 156
LEU A 150
 None
 1.29A 6f3nD-5tovA:
25.9		 6f3nD-5tovA:
37.80
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)
 1.47A 6f3nD-5utuA:
49.4		 6f3nD-5utuA:
42.28
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 HIS A  53
THR A  55
ASP A 137
GLU A 211
LYS A 241
ASP A 245
LEU A 401
LEU A 404
GLY A 409
HIS A 410
MET A 415
PHE A 419
 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)
NAD  A 501 (-4.1A)
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)
 0.42A 6f3nD-5utuA:
49.4		 6f3nD-5utuA:
42.28
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) 		7 HIS A  59
ASP A 136
GLU A 197
LYS A 227
ASP A 231
LEU A 386
HIS A 395
 ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-3.5A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
NAD  A 501 (-3.9A)
ADN  A 502 ( 3.4A)
 1.46A 6f3nD-5v96A:
53.6		 6f3nD-5v96A:
46.41
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 HIS A  59
THR A  61
ASP A 136
GLU A 197
LYS A 227
ASP A 231
LEU A 386
LEU A 389
GLY A 394
HIS A 395
MET A 400
PHE A 404
 ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-3.5A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
NAD  A 501 (-3.9A)
ADN  A 502 ( 4.7A)
ADN  A 502 (-3.7A)
ADN  A 502 ( 3.4A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 0.39A 6f3nD-5v96A:
53.6		 6f3nD-5v96A:
46.41
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 ASP A 131
LYS A 186
ASP A 190
HIS A 353
PHE A 362
 None
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.5A)
None
 0.99A 6f3nD-5w4bA:
47.2		 6f3nD-5w4bA:
56.90
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 ASP A 131
LYS A 186
HIS A 353
MET A 358
PHE A 362
 None
None
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.76A 6f3nD-5w4bA:
47.2		 6f3nD-5w4bA:
56.90
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 HIS A  55
THR A  57
ASP A 131
GLU A 156
LYS A 186
MET A 358
PHE A 362
 9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
9W4  A 502 (-3.6A)
None
 0.70A 6f3nD-5w4bA:
47.2		 6f3nD-5w4bA:
56.90
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 HIS A  55
THR A  57
ASP A 131
LYS A 186
ASP A 190
PHE A 362
 9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
NAD  A 501 (-4.1A)
None
 0.80A 6f3nD-5w4bA:
47.2		 6f3nD-5w4bA:
56.90
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
 0.92A 6f3nD-5w4bA:
47.2		 6f3nD-5w4bA:
56.90
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 LYS A 186
ASP A 190
LEU A 344
LEU A 347
GLY A 352
HIS A 353
 None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.0A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
 1.02A 6f3nD-5w4bA:
47.2		 6f3nD-5w4bA:
56.90
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
HIS A 353
PHE A 362
 None
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
NAD  A 501 (-4.5A)
None
 1.28A 6f3nD-5w4bA:
47.2		 6f3nD-5w4bA:
56.90
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
 0.70A 6f3nD-5w4bA:
47.2		 6f3nD-5w4bA:
56.90
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 LYS A 186
LEU A 344
LEU A 347
GLY A 352
HIS A 353
MET A 358
 None
NAD  A 501 (-4.0A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
 0.90A 6f3nD-5w4bA:
47.2		 6f3nD-5w4bA:
56.90
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.
5ykn PROBABLE
LYSINE-SPECIFIC
DEMETHYLASE JMJ14

(Arabidopsis
thaliana) 		no annotation 5 HIS A 439
GLU A 426
LEU A 418
LEU A 443
MET A 490
 None
 1.35A 6f3nD-5yknA:
undetectable		 6f3nD-5yknA:
11.09
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 ASP A 136
GLU A 161
LYS A 191
ASP A 195
LEU A 349
HIS A 358
 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)
ADN  A 501 ( 3.5A)
 1.42A 6f3nD-6aphA:
58.2		 6f3nD-6aphA:
56.46
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 HIS A  58
THR A  60
ASP A 136
GLU A 161
LYS A 191
ASP A 195
LEU A 349
LEU A 352
GLY A 357
HIS A 358
MET A 363
PHE A 367
 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)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
 0.52A 6f3nD-6aphA:
58.2		 6f3nD-6aphA:
56.46
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.
6b5f NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia
enterocolitica) 		no annotation 5 THR A 246
ASP A 229
LEU A   4
LEU A 151
PHE A 189
 None
 1.47A 6f3nD-6b5fA:
2.9		 6f3nD-6b5fA:
21.43
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.
6bng 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Acinetobacter
baumannii) 		no annotation 5 GLU A 171
LEU A 206
LEU A 226
MET A 185
PHE A 188
 None
 1.50A 6f3nD-6bngA:
undetectable		 6f3nD-6bngA:
10.85
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.
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)
 1.40A 6f3nD-6f3mB:
65.5		 6f3nD-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 12 HIS B  61
THR B  63
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 373
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)
NAD  B 501 ( 3.9A)
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)
 0.33A 6f3nD-6f3mB:
65.5		 6f3nD-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)
 1.43A 6f3nD-6gbnA:
57.5		 6f3nD-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 HIS A  56
THR A  58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 347
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365
 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)
NAD  A 502 (-3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
None
 0.41A 6f3nD-6gbnA:
57.5		 6f3nD-6gbnA:
undetectable