SIMILAR PATTERNS OF AMINO ACIDS FOR 4PGF_A_ADNA502_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.
1dhs DEOXYHYPUSINE
SYNTHASE

(Homo sapiens) 		PF01916
(DS) 		5 GLU A 323
ASP A 316
LEU A 295
ASN A 292
HIS A 288
 None
 1.49A 4pgfA-1dhsA:
2.9		 4pgfA-1dhsA:
23.15
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.
1dqs PROTEIN
(3-DEHYDROQUINATE
SYNTHASE)

(Aspergillus
nidulans) 		PF01761
(DHQ_synthase) 		5 LEU A 142
ASP A 146
GLU A 194
ASN A 162
HIS A 275
 NAD  A 400 (-3.7A)
CRB  A 401 ( 2.9A)
ZN  A 402 (-2.4A)
NAD  A 400 (-3.7A)
CRB  A 401 (-4.2A)
 1.36A 4pgfA-1dqsA:
3.7		 4pgfA-1dqsA:
24.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fr0 ARCB

(Escherichia
coli) 		PF01627
(Hpt) 		5 LEU A 728
HIS A 730
ASP A 764
MET A 693
PHE A 689
 None
 1.40A 4pgfA-1fr0A:
undetectable		 4pgfA-1fr0A:
15.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.26A 4pgfA-1g7rA:
3.3		 4pgfA-1g7rA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 ASP A 336
LEU A 278
GLY A 225
MET A  47
PHE A 200
 None
 1.31A 4pgfA-1ofeA:
undetectable		 4pgfA-1ofeA:
14.67
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.
1tkk SIMILAR TO
CHLOROMUCONATE
CYCLOISOMERASE

(Bacillus
subtilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 244
GLU A 219
LYS A 160
LEU A  23
GLY A 164
 MG  A1601 ( 3.2A)
MG  A1601 (-2.9A)
GLU  A2471 (-2.6A)
None
None
 1.34A 4pgfA-1tkkA:
undetectable		 4pgfA-1tkkA:
23.13
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.
1tkk SIMILAR TO
CHLOROMUCONATE
CYCLOISOMERASE

(Bacillus
subtilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 244
GLU A 219
LYS A 160
LEU A  23
GLY A 195
 MG  A1601 ( 3.2A)
MG  A1601 (-2.9A)
GLU  A2471 (-2.6A)
None
None
 1.46A 4pgfA-1tkkA:
undetectable		 4pgfA-1tkkA:
23.13
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.
1usv HEAT SHOCK PROTEIN
HSP82

(Saccharomyces
cerevisiae) 		PF00183
(HSP90) 		5 LEU A 499
LYS A 426
LEU A 479
GLY A 476
PHE A 510
 None
 1.42A 4pgfA-1usvA:
undetectable		 4pgfA-1usvA:
21.93
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 ASP A 134
GLU A 200
LYS A 230
ASP A 234
LEU A 392
ASN A 391
HIS A 398
 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)
NAD  A 501 (-3.0A)
ADN  A 502 ( 3.5A)
 1.44A 4pgfA-1v8bA:
56.7		 4pgfA-1v8bA:
51.88
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
ASP A 134
GLU A 200
LYS A 230
ASP A 234
LEU A 389
ASN A 391
GLY A 397
HIS A 398
MET A 403
PHE A 407
 None
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)
NAD  A 501 (-3.0A)
ADN  A 502 ( 3.7A)
ADN  A 502 ( 3.5A)
ADN  A 502 (-3.6A)
None
 0.45A 4pgfA-1v8bA:
56.7		 4pgfA-1v8bA:
51.88
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.
1xaj 3-DEHYDROQUINATE
SYNTHASE

(Staphylococcus
aureus) 		PF01761
(DHQ_synthase) 		5 LEU A 127
ASP A 130
GLU A 178
ASN A 146
HIS A 246
 NAD  A 400 (-3.6A)
CRB  A 500 ( 3.2A)
ZN  A 600 ( 3.1A)
NAD  A 400 ( 3.4A)
CRB  A 500 (-4.1A)
 1.33A 4pgfA-1xajA:
2.0		 4pgfA-1xajA:
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.
2hfq HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea) 		PF09630
(DUF2024) 		5 LEU A  40
LYS A  80
GLY A  15
HIS A  16
MET A  18
 None
 1.14A 4pgfA-2hfqA:
undetectable		 4pgfA-2hfqA:
12.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2okk GLUTAMATE
DECARBOXYLASE 2

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 LEU A 455
LEU A 408
GLY A 369
MET A 373
PHE A 467
 None
 1.48A 4pgfA-2okkA:
undetectable		 4pgfA-2okkA:
20.83
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.
2pw6 UNCHARACTERIZED
PROTEIN YGID

(Escherichia
coli) 		PF02900
(LigB) 		5 ASP A 120
LEU A 263
ASN A 174
GLY A  21
HIS A  22
 None
None
None
None
ZN  A 272 (-3.6A)
 1.29A 4pgfA-2pw6A:
undetectable		 4pgfA-2pw6A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qfr PURPLE ACID
PHOSPHATASE

(Phaseolus
vulgaris) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		5 HIS A 296
ASP A 369
ASP A 135
ASN A 201
HIS A 286
 SO4  A 435 (-3.9A)
None
FE  A 433 ( 2.9A)
ZN  A 434 ( 2.7A)
ZN  A 434 (-3.2A)
 1.34A 4pgfA-2qfrA:
undetectable		 4pgfA-2qfrA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rd7 COMPLEMENT COMPONENT
C8 ALPHA CHAIN

(Homo sapiens) 		PF01823
(MACPF) 		5 LEU A 129
GLY A 308
HIS A 310
MET A 431
PHE A 429
 None
 1.38A 4pgfA-2rd7A:
undetectable		 4pgfA-2rd7A:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2toh TYROSINE
3-MONOOXYGENASE

(Rattus
norvegicus) 		PF00351
(Biopterin_H) 		5 LEU A 400
GLY A 335
HIS A 252
MET A 339
PHE A 345
 None
 1.49A 4pgfA-2tohA:
undetectable		 4pgfA-2tohA:
20.00
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.
2vmf BETA-MANNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2) 		5 HIS A 511
ASP A 529
ASN A 460
GLY A 459
PHE A 508
 EDO  A1872 (-4.6A)
None
None
None
None
 1.48A 4pgfA-2vmfA:
undetectable		 4pgfA-2vmfA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y35 LD22664P

(Drosophila
melanogaster) 		PF03159
(XRN_N) 		5 LEU A 208
GLU A 177
ASP A  86
LEU A  34
GLY A  38
 None
MG  A2141 (-3.1A)
MG  A2141 (-3.5A)
None
None
 1.41A 4pgfA-2y35A:
2.1		 4pgfA-2y35A:
16.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ymv ACG NITROREDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 5 LEU A  25
ASP A  54
GLU A  59
LEU A  44
GLY A  65
 FNR  A1330 (-4.1A)
None
FNR  A1330 (-4.5A)
None
None
 1.50A 4pgfA-2ymvA:
undetectable		 4pgfA-2ymvA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a2b SERINE
PALMITOYLTRANSFERASE

(Sphingobacterium
multivorum) 		PF00155
(Aminotran_1_2) 		5 LEU A 215
ASP A 211
ASN A 232
GLY A 103
PHE A 252
 None
 1.16A 4pgfA-3a2bA:
undetectable		 4pgfA-3a2bA:
22.67
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
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
ASN A 409
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
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)
NAD  A 550 (-3.0A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.57A 4pgfA-3ce6A:
57.4		 4pgfA-3ce6A:
54.45
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
ASP A 130
GLU A 155
LEU A 343
ASN A 345
GLY A 351
HIS A 352
MET A 357
PHE A 361
 None
ADN  A 438 (-4.0A)
ADN  A 438 (-4.1A)
ADN  A 438 (-3.8A)
NAD  A 439 ( 4.0A)
NAD  A 439 (-3.1A)
ADN  A 438 ( 3.8A)
ADN  A 438 ( 3.6A)
ADN  A 438 (-3.7A)
None
 0.56A 4pgfA-3g1uA:
62.1		 4pgfA-3g1uA:
70.91
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
ASP A 139
GLU A 199
LYS A 229
ASP A 233
LEU A 385
ASN A 387
GLY A 393
HIS A 394
MET A 399
PHE A 403
 None
RAB  A 602 (-3.8A)
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 (-3.0A)
RAB  A 602 ( 3.8A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
None
 0.51A 4pgfA-3glqA:
58.9		 4pgfA-3glqA:
56.45
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
ASP A 130
GLU A 155
LYS A 185
ASP A 189
LEU A 343
ASN A 345
GLY A 351
HIS A 352
MET A 357
PHE A 361
 None
ADN  A 439 ( 4.7A)
None
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-4.0A)
NAD  A 438 (-2.9A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.3A)
ADN  A 439 ( 3.7A)
None
 0.40A 4pgfA-3h9uA:
63.7		 4pgfA-3h9uA:
71.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k9c TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY PROTEIN

(Rhodococcus
jostii) 		PF13377
(Peripla_BP_3) 		5 ASP A 280
ASP A 169
LEU A  88
GLY A 133
PHE A 251
 GOL  A 349 (-2.8A)
None
None
None
None
 1.29A 4pgfA-3k9cA:
3.9		 4pgfA-3k9cA:
19.82
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
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
ASN A 380
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
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)
NAD  A 550 (-3.0A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.35A 4pgfA-3n58A:
58.8		 4pgfA-3n58A:
58.55
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.
3oc6 6-PHOSPHOGLUCONOLACT
ONASE

(Mycolicibacterium
smegmatis) 		PF01182
(Glucosamine_iso) 		5 LEU A 155
ASN A 153
GLY A  71
HIS A 142
PHE A 132
 None
 1.22A 4pgfA-3oc6A:
undetectable		 4pgfA-3oc6A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oc6 6-PHOSPHOGLUCONOLACT
ONASE

(Mycolicibacterium
smegmatis) 		PF01182
(Glucosamine_iso) 		5 LEU A 168
LEU A 155
GLY A  71
HIS A 142
PHE A 132
 None
 1.32A 4pgfA-3oc6A:
undetectable		 4pgfA-3oc6A:
21.98
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
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
ASN A 397
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
NAD  A 501 (-3.0A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.59A 4pgfA-3oneA:
55.5		 4pgfA-3oneA:
55.94
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.
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
 0.90A 4pgfA-3pf7A:
undetectable		 4pgfA-3pf7A:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qnw CASPASE-6

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 ASP A  90
GLU A 135
ASN A 125
GLY A 124
PHE A 118
 None
 1.32A 4pgfA-3qnwA:
2.3		 4pgfA-3qnwA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qy7 TYROSINE-PROTEIN
PHOSPHATASE YWQE

(Bacillus
subtilis) 		no annotation 5 HIS A   5
ASP A 194
ASP A  13
LEU A 106
GLY A  78
 FE  A 264 (-3.3A)
FE  A 264 ( 2.6A)
None
None
None
 1.40A 4pgfA-3qy7A:
undetectable		 4pgfA-3qy7A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ved DYPB

(Rhodococcus
jostii) 		PF04261
(Dyp_perox) 		5 ASP A 288
LEU A 149
HIS A 226
MET A 278
PHE A 279
 None
HEM  A 401 ( 4.7A)
HEM  A 401 (-3.2A)
HEM  A 401 (-3.5A)
None
 1.50A 4pgfA-3vedA:
undetectable		 4pgfA-3vedA:
22.62
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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		5 GLU A 437
ASP A 549
LEU A 433
GLY A 509
HIS A 568
 None
 1.44A 4pgfA-3w5nA:
undetectable		 4pgfA-3w5nA:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  54
GLU A  50
ASP A 143
LEU A 116
PHE A  79
 None
38R  A 350 ( 4.8A)
NA  A 353 ( 2.5A)
None
38R  A 350 (-4.1A)
 1.35A 4pgfA-3zduA:
undetectable		 4pgfA-3zduA:
20.73
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.
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)
 1.21A 4pgfA-3zu0A:
undetectable		 4pgfA-3zu0A:
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.
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
 1.17A 4pgfA-4cw4A:
undetectable		 4pgfA-4cw4A:
22.50
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.
4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)

(Geobacter
metallireducens) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 LEU A  76
ASP A  73
ASP A 100
GLY A  92
HIS A 185
 None
 1.41A 4pgfA-4e21A:
9.1		 4pgfA-4e21A:
20.58
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.
4emw COENZYME A DISULFIDE
REDUCTASE

(Staphylococcus
aureus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ASP A 135
ASP A  35
ASN A 242
GLY A 114
PHE A  40
 None
FAD  A 501 (-3.8A)
FAD  A 501 (-4.2A)
FAD  A 501 (-3.5A)
None
 1.18A 4pgfA-4emwA:
3.7		 4pgfA-4emwA:
20.21
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.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 LEU A 281
LEU A 528
GLY A 105
HIS A 108
PHE A 113
 None
 1.40A 4pgfA-4iv9A:
3.6		 4pgfA-4iv9A:
22.93
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
ASP A 135
GLU A 197
LYS A 227
ASP A 231
LEU A 383
ASN A 385
GLY A 391
HIS A 392
MET A 397
PHE A 401
 None
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)
NAD  A 503 (-3.1A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.43A 4pgfA-4lvcA:
59.5		 4pgfA-4lvcA:
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.
4ojx 3',5'-CYCLIC-NUCLEOT
IDE
PHOSPHODIESTERASE 1

(Saccharomyces
cerevisiae) 		PF02112
(PDEase_II) 		5 LEU A 295
GLU A 303
ASP A 248
GLY A 214
HIS A 212
 None
 1.45A 4pgfA-4ojxA:
undetectable		 4pgfA-4ojxA:
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.
4qdh VARIABLE LYMPHOCYTE
RECEPTOR B,
TOLL-LIKE RECEPTOR 9
CHIMERA

(Eptatretus
burgeri;
Mus musculus) 		PF01462
(LRRNT)
PF11921
(DUF3439)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 LEU A 175
LEU A 215
ASN A 218
GLY A 189
PHE A 148
 None
 1.08A 4pgfA-4qdhA:
undetectable		 4pgfA-4qdhA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.29A 4pgfA-4qiwB:
undetectable		 4pgfA-4qiwB:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s1p UNCHARACTERIZED
PROTEIN

(Slackia
heliotrinireducens) 		PF13472
(Lipase_GDSL_2) 		5 HIS A 164
ASP A 161
LEU A  10
ASN A   8
GLY A  34
 UNL  A 501 ( 4.1A)
None
None
UNL  A 501 ( 3.1A)
UNL  A 501 ( 3.4A)
 1.27A 4pgfA-4s1pA:
5.3		 4pgfA-4s1pA:
19.20
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.
4yam BETA-ETHERASE

(Sphingobium sp.
SYK-6) 		PF13417
(GST_N_3) 		5 LEU A 102
ASP A 103
ASN A 185
GLY A 180
PHE A 169
 None
 1.16A 4pgfA-4yamA:
undetectable		 4pgfA-4yamA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 LEU A 525
HIS A 528
LEU A 597
GLY A 531
PHE A 625
 None
 1.24A 4pgfA-5clwA:
undetectable		 4pgfA-5clwA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ep0 PUTATIVE REPRESSOR
PROTEIN LUXO

(Photobacterium
angustum) 		PF00072
(Response_reg)
PF00158
(Sigma54_activat) 		5 GLU A 177
ASP A 241
LEU A 310
MET A 239
PHE A 194
 None
SO4  A 401 ( 4.6A)
None
None
None
 1.33A 4pgfA-5ep0A:
6.6		 4pgfA-5ep0A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ep1 PUTATIVE REPRESSOR
PROTEIN LUXO

(Photobacterium
angustum) 		PF00158
(Sigma54_activat) 		5 GLU A 177
ASP A 241
LEU A 310
MET A 239
PHE A 194
 None
 1.31A 4pgfA-5ep1A:
undetectable		 4pgfA-5ep1A:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gp9 TRANSCRIPTIONAL
REGULATOR (TETR/ACRR
FAMILY)

(Bacillus
halodurans) 		PF00440
(TetR_N)
PF08359
(TetR_C_4) 		5 LEU A 189
GLU A  81
ASP A  79
LEU A 134
GLY A 138
 None
None
None
GOL  A 202 (-4.6A)
None
 1.38A 4pgfA-5gp9A:
undetectable		 4pgfA-5gp9A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		5 LEU A 521
LEU A 492
ASN A 496
GLY A 498
PHE A 530
 None
 1.33A 4pgfA-5ikpA:
2.4		 4pgfA-5ikpA:
19.81
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.
5lnk MITOCHONDRIAL
COMPLEX I, ND5
SUBUNIT

(Ovis aries) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N)
PF06455
(NADH5_C) 		5 LEU L 247
LEU L 310
GLY L 256
MET L 128
PHE L 124
 None
 1.35A 4pgfA-5lnkL:
undetectable		 4pgfA-5lnkL:
20.16
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.
5tic ACYL-COA
THIOESTERASE I

(Escherichia
coli) 		PF13472
(Lipase_GDSL_2) 		5 HIS A 157
ASP A 154
LEU A  76
ASN A  73
GLY A  44
 None
 1.49A 4pgfA-5ticA:
2.2		 4pgfA-5ticA:
18.31
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.
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 4pgfA-5uq6A:
undetectable		 4pgfA-5uq6A:
21.54
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) 		6 ASP A 137
GLU A 211
LYS A 241
ASP A 245
LEU A 404
ASN A 403
 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)
NAD  A 501 (-2.9A)
 1.50A 4pgfA-5utuA:
53.5		 4pgfA-5utuA:
47.90
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
ASP A 137
GLU A 211
LYS A 241
ASP A 245
LEU A 401
ASN A 403
GLY A 409
HIS A 410
MET A 415
PHE A 419
 None
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)
NAD  A 501 (-2.9A)
SAH  A 502 ( 3.7A)
SAH  A 502 ( 3.5A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
 0.43A 4pgfA-5utuA:
53.5		 4pgfA-5utuA:
47.90
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
ASP A 136
GLU A 197
LYS A 227
ASP A 231
LEU A 386
ASN A 388
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 (-3.5A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
NAD  A 501 (-3.9A)
NAD  A 501 (-3.1A)
ADN  A 502 (-3.7A)
ADN  A 502 ( 3.4A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 0.44A 4pgfA-5v96A:
58.8		 4pgfA-5v96A:
56.31
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 ASP A 131
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
 1.00A 4pgfA-5w4bA:
55.9		 4pgfA-5w4bA:
99.53
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
ASP A 131
LYS A 186
ASP A 190
HIS A 353
MET A 358
PHE A 362
 None
None
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.89A 4pgfA-5w4bA:
55.9		 4pgfA-5w4bA:
99.53
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
ASP A 131
GLU A 156
LYS A 186
ASP A 190
MET A 358
PHE A 362
 None
9W4  A 502 (-3.7A)
None
None
None
NAD  A 501 (-4.1A)
9W4  A 502 (-3.6A)
None
 0.87A 4pgfA-5w4bA:
55.9		 4pgfA-5w4bA:
99.53
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
LYS A 186
ASP A 190
LEU A 347
HIS A 353
PHE A 362
 None
None
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
NAD  A 501 (-4.5A)
None
 1.44A 4pgfA-5w4bA:
55.9		 4pgfA-5w4bA:
99.53
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 LYS A 186
ASP A 190
ASN A 346
GLY A 352
HIS A 353
MET A 358
PHE A 362
 None
NAD  A 501 (-4.1A)
NAD  A 501 (-3.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 1.01A 4pgfA-5w4bA:
55.9		 4pgfA-5w4bA:
99.53
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 LYS A 186
ASP A 190
LEU A 344
ASN A 346
GLY A 352
HIS A 353
MET A 358
 None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.0A)
NAD  A 501 (-3.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
 1.06A 4pgfA-5w4bA:
55.9		 4pgfA-5w4bA:
99.53
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 347
ASN A 346
HIS A 353
PHE A 362
 None
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
NAD  A 501 (-3.1A)
NAD  A 501 (-4.5A)
None
 1.47A 4pgfA-5w4bA:
55.9		 4pgfA-5w4bA:
99.53
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.
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
 1.42A 4pgfA-5xgsA:
undetectable		 4pgfA-5xgsA:
21.49
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.
5z73 ALR0819 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 LEU A 235
HIS A 238
ASP A 174
LEU A 268
GLY A 297
 None
 1.25A 4pgfA-5z73A:
undetectable		 4pgfA-5z73A:
9.74
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) 		11 LEU A  57
HIS A  58
ASP A 136
GLU A 161
LYS A 191
ASP A 195
ASN A 351
GLY A 357
HIS A 358
MET A 363
PHE A 367
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.5A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
NAD  A 500 (-3.1A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
 0.55A 4pgfA-6aphA:
64.0		 4pgfA-6aphA:
66.82
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) 		11 LEU A  57
HIS A  58
ASP A 136
LYS A 191
ASP A 195
LEU A 349
ASN A 351
GLY A 357
HIS A 358
MET A 363
PHE A 367
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
NAD  A 500 ( 4.3A)
NAD  A 500 (-3.1A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
 0.26A 4pgfA-6aphA:
64.0		 4pgfA-6aphA:
66.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cri

() 		no annotation 5 LEU G   7
GLU S 108
LEU G  73
GLY G  88
PHE S 107
 None
 1.29A 4pgfA-6criG:
undetectable		 4pgfA-6criG:
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
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 373
ASN B 375
GLY B 381
HIS B 382
MET B 387
PHE B 391
 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)
NAD  B 501 (-3.0A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.4A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 0.46A 4pgfA-6f3mB:
57.1		 4pgfA-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 12 LEU A  55
HIS A  56
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 347
ASN A 349
GLY A 355
HIS A 356
MET A 361
PHE A 365
 None
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)
NAD  A 502 (-3.1A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
None
 0.43A 4pgfA-6gbnA:
64.1		 4pgfA-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.
6gkv COCLAURINE
N-METHYLTRANSFERASE

(Coptis japonica) 		no annotation 5 LEU A  80
LEU A  88
ASN A  92
GLY A  98
PHE A 257
 None
None
None
SAH  A 501 (-3.9A)
F2W  A 502 (-4.5A)
 1.11A 4pgfA-6gkvA:
3.2		 4pgfA-6gkvA:
12.13