SIMILAR PATTERNS OF AMINO ACIDS FOR 3MNP_A_DEXA784

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.
1e33 ARYLSULFATASE A

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		5 GLY P 119
VAL P 107
LEU P 340
THR P 274
PHE P 219
 None
 1.28A 3mnpA-1e33P:
undetectable		 3mnpA-1e33P:
20.77
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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
GAMMA

(Methanosarcina
barkeri) 		PF02240
(MCR_gamma) 		5 GLY C3150
VAL C3040
LEU C3037
THR C3141
ILE C3143
 None
 1.33A 3mnpA-1e6yC:
undetectable		 3mnpA-1e6yC:
20.82
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.
1gvh FLAVOHEMOPROTEIN

(Escherichia
coli) 		PF00042
(Globin)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ASN A 142
GLY A 148
LEU A 189
THR A  86
ILE A 138
 None
 1.08A 3mnpA-1gvhA:
undetectable		 3mnpA-1gvhA:
19.55
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.
1jcm INDOLE-3-GLYCEROL-PH
OSPHATE SYNTHASE

(Escherichia
coli) 		PF00218
(IGPS) 		5 VAL P 249
ARG P 251
LEU P  52
CYH P  54
PHE P  68
 None
 1.23A 3mnpA-1jcmP:
undetectable		 3mnpA-1jcmP:
22.53
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.
1jpl ADP-RIBOSYLATION
FACTOR BINDING
PROTEIN GGA3

(Homo sapiens) 		PF00790
(VHS) 		5 ASN A  75
GLY A  77
VAL A  84
LEU A  69
ILE A  30
 None
 1.32A 3mnpA-1jplA:
undetectable		 3mnpA-1jplA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1llp LIGNIN PEROXIDASE

(Phanerochaete
chrysosporium) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 GLY A 256
VAL A 326
LEU A 328
THR A 196
ILE A 199
 None
None
None
CA  A 352 (-3.6A)
None
 1.37A 3mnpA-1llpA:
undetectable		 3mnpA-1llpA:
21.10
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.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 GLY A 539
GLN A 540
ARG A 364
LEU A 466
ILE A 638
 None
 1.35A 3mnpA-1loxA:
undetectable		 3mnpA-1loxA:
18.07
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.
1ndf CARNITINE
ACETYLTRANSFERASE

(Mus musculus) 		PF00755
(Carn_acyltransf) 		5 GLY A 121
VAL A 352
THR A 553
ILE A 576
PHE A 566
 None
None
None
None
152  A5001 (-3.3A)
 1.31A 3mnpA-1ndfA:
undetectable		 3mnpA-1ndfA:
18.23
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.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 GLY A 515
GLN A 656
VAL A 486
LEU A 396
ILE A 529
 None
 1.36A 3mnpA-1rw9A:
undetectable		 3mnpA-1rw9A:
15.41
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		5 GLY A 596
GLN A 659
ARG A 662
THR A 551
ILE A 555
 None
 1.32A 3mnpA-1ulvA:
undetectable		 3mnpA-1ulvA:
12.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ASN A 705
GLN A 711
MET A 742
ARG A 752
LEU A 873
 BHM  A   1 (-3.6A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
BHM  A   1 (-4.4A)
 0.83A 3mnpA-2ax9A:
32.1		 3mnpA-2ax9A:
50.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ASN A 705
GLN A 711
MET A 742
LEU A 873
PHE A 891
 BHM  A   1 (-3.6A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-4.4A)
None
 1.01A 3mnpA-2ax9A:
32.1		 3mnpA-2ax9A:
50.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ASN A 705
GLY A 708
GLN A 711
MET A 742
ARG A 752
 BHM  A   1 (-3.6A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
 0.78A 3mnpA-2ax9A:
32.1		 3mnpA-2ax9A:
50.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ASN A 705
GLY A 708
GLN A 711
MET A 742
PHE A 891
 BHM  A   1 (-3.6A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
None
 0.93A 3mnpA-2ax9A:
32.1		 3mnpA-2ax9A:
50.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLN A 711
MET A 742
VAL A 746
ARG A 752
LEU A 873
 BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.6A)
BHM  A   1 (-3.8A)
BHM  A   1 (-4.4A)
 0.73A 3mnpA-2ax9A:
32.1		 3mnpA-2ax9A:
50.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLY A 708
GLN A 711
MET A 742
VAL A 746
ARG A 752
 BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.6A)
BHM  A   1 (-3.8A)
 0.59A 3mnpA-2ax9A:
32.1		 3mnpA-2ax9A:
50.19
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.
2cit ENDOGLUCANASE H

(Ruminiclostridium
thermocellum) 		PF02156
(Glyco_hydro_26) 		5 GLY A 184
VAL A 156
LEU A 211
ILE A 243
PHE A 200
 None
 0.99A 3mnpA-2citA:
undetectable		 3mnpA-2citA:
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.
2d5a HYPOTHETICAL PROTEIN
PH1109

(Pyrococcus
horikoshii) 		PF13380
(CoA_binding_2) 		5 GLY A  29
VAL A  41
MET A 133
LEU A  45
ILE A  78
 COA  A 200 (-3.4A)
None
None
None
None
 1.27A 3mnpA-2d5aA:
undetectable		 3mnpA-2d5aA:
17.29
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.
2ixf ANTIGEN PEPTIDE
TRANSPORTER 1

(Rattus
norvegicus) 		PF00005
(ABC_tran) 		5 VAL A 658
ARG A 660
LEU A 630
ILE A 602
PHE A 601
 None
 1.20A 3mnpA-2ixfA:
undetectable		 3mnpA-2ixfA:
23.95
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.
2jjd RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE EPSILON

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ASN A 451
GLY A 446
VAL A 468
ARG A 669
LEU A 470
 None
 1.25A 3mnpA-2jjdA:
undetectable		 3mnpA-2jjdA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ksb SUBSTANCE-P RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		5 VAL A 252
MET A 249
LEU A 308
CYH A 306
ILE A  56
 None
 1.38A 3mnpA-2ksbA:
undetectable		 3mnpA-2ksbA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nxx ULTRASPIRACLE (USP,
NR2B4)

(Tribolium
castaneum) 		PF00104
(Hormone_recep) 		5 GLY A 250
VAL A 226
ARG A 317
LEU A 401
ILE A 329
 None
 1.31A 3mnpA-2nxxA:
17.1		 3mnpA-2nxxA:
24.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		8 ASN A  33
GLN A  39
MET A  70
ARG A  80
LEU A 201
CYH A 205
THR A 208
PHE A 219
 1CA  A 247 (-2.9A)
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.8A)
1CA  A 247 ( 4.2A)
1CA  A 247 (-4.0A)
1CA  A 247 (-3.4A)
1CA  A 247 (-4.5A)
 0.52A 3mnpA-2q3yA:
36.9		 3mnpA-2q3yA:
61.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		6 ASN A  33
GLY A  37
MET A  70
CYH A 205
THR A 208
PHE A 219
 1CA  A 247 (-2.9A)
None
1CA  A 247 ( 3.8A)
1CA  A 247 (-4.0A)
1CA  A 247 (-3.4A)
1CA  A 247 (-4.5A)
 0.97A 3mnpA-2q3yA:
36.9		 3mnpA-2q3yA:
61.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		5 GLN A  39
MET A  70
ARG A  80
MET A 115
LEU A 201
 1CA  A 247 (-3.1A)
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.8A)
1CA  A 247 ( 3.7A)
1CA  A 247 ( 4.2A)
 1.00A 3mnpA-2q3yA:
36.9		 3mnpA-2q3yA:
61.83
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.
2r44 UNCHARACTERIZED
PROTEIN

(Cytophaga
hutchinsonii) 		PF07726
(AAA_3) 		5 GLY A  46
ARG A 300
LEU A 129
ILE A 112
PHE A 150
 None
 1.27A 3mnpA-2r44A:
undetectable		 3mnpA-2r44A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 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 GLN A 623
VAL A 773
ARG A 626
LEU A 832
ILE A 856
 BR  A1894 ( 4.8A)
None
BR  A1894 (-4.2A)
None
None
 1.06A 3mnpA-2vmfA:
undetectable		 3mnpA-2vmfA:
15.64
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.
2vrk ALPHA-L-ARABINOFURAN
OSIDASE

(Thermobacillus
xylanilyticus) 		PF06964
(Alpha-L-AF_C) 		5 GLY A 327
VAL A 402
ARG A 335
LEU A 483
THR A 445
 None
 1.37A 3mnpA-2vrkA:
undetectable		 3mnpA-2vrkA:
18.13
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.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		5 GLY A 555
VAL A 551
LEU A 563
CYH A 561
ILE A 576
 GTP  A1724 (-3.6A)
None
None
GTP  A1724 (-3.4A)
None
 1.36A 3mnpA-2wkpA:
undetectable		 3mnpA-2wkpA:
22.39
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.
3a98 ENGULFMENT AND CELL
MOTILITY PROTEIN 1

(Homo sapiens) 		PF16457
(PH_12) 		5 VAL B 610
LEU B 579
CYH B 577
THR B 560
PHE B 562
 None
 1.39A 3mnpA-3a98B:
undetectable		 3mnpA-3a98B:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b6u KINESIN-LIKE PROTEIN
KIF3B

(Homo sapiens) 		PF00225
(Kinesin) 		5 ASN A 242
GLY A  90
VAL A  10
LEU A 305
ILE A 218
 None
 1.37A 3mnpA-3b6uA:
undetectable		 3mnpA-3b6uA:
20.47
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.
3c6g CYTOCHROME P450 2R1

(Homo sapiens) 		PF00067
(p450) 		5 GLY A  42
LEU A  81
THR A 398
ILE A 394
PHE A  39
 None
 1.00A 3mnpA-3c6gA:
2.2		 3mnpA-3c6gA:
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.
3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Azotobacter
vinelandii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  19
GLN A 358
MET A 344
LEU A 342
ILE A  55
 None
None
None
TLA  A 501 (-4.1A)
None
 1.36A 3mnpA-3ekgA:
undetectable		 3mnpA-3ekgA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f70 LETHAL(3)MALIGNANT
BRAIN TUMOR-LIKE 2
PROTEIN

(Homo sapiens) 		PF02820
(MBT) 		5 GLY A 572
LEU A 601
CYH A 554
ILE A 568
PHE A 570
 None
None
MLZ  A  20 ( 4.1A)
None
MLZ  A  20 (-4.0A)
 1.33A 3mnpA-3f70A:
undetectable		 3mnpA-3f70A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3feo MBT
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF02820
(MBT) 		5 GLY A 399
LEU A 428
CYH A 381
ILE A 395
PHE A 397
 None
 1.24A 3mnpA-3feoA:
undetectable		 3mnpA-3feoA:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 GLY A 298
GLN A 297
LEU A 239
CYH A 243
PHE A 254
 None
 1.24A 3mnpA-3g5iA:
undetectable		 3mnpA-3g5iA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ga7 ACETYL ESTERASE

(Salmonella
enterica) 		PF07859
(Abhydrolase_3) 		5 GLY A 115
GLN A  80
LEU A 154
ILE A 189
PHE A 315
 None
 1.37A 3mnpA-3ga7A:
undetectable		 3mnpA-3ga7A:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hn0 NITRATE TRANSPORT
PROTEIN

(Parabacteroides
distasonis) 		no annotation 5 VAL A 206
LEU A  79
THR A 126
ILE A 280
PHE A 276
 None
 1.11A 3mnpA-3hn0A:
undetectable		 3mnpA-3hn0A:
20.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 ASN A 719
GLY A 722
MET A 756
ARG A 766
LEU A 887
CYH A 891
THR A 894
PHE A 905
 WOW  A   1 (-3.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.0A)
WOW  A   1 (-3.5A)
WOW  A   1 (-3.9A)
WOW  A   1 (-4.6A)
 0.66A 3mnpA-3kbaA:
35.0		 3mnpA-3kbaA:
54.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 GLY A 722
GLN A 725
MET A 756
VAL A 760
ARG A 766
MET A 801
LEU A 887
CYH A 891
 WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.2A)
WOW  A   1 (-4.0A)
WOW  A   1 (-3.5A)
 1.04A 3mnpA-3kbaA:
35.0		 3mnpA-3kbaA:
54.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 GLY A 722
MET A 756
VAL A 760
ARG A 766
MET A 801
LEU A 887
CYH A 891
THR A 894
 WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.2A)
WOW  A   1 (-4.0A)
WOW  A   1 (-3.5A)
WOW  A   1 (-3.9A)
 0.88A 3mnpA-3kbaA:
35.0		 3mnpA-3kbaA:
54.55
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.
3lxu TRIPEPTIDYL-PEPTIDAS
E 2

(Drosophila
melanogaster) 		PF00082
(Peptidase_S8)
PF12580
(TPPII)
PF12583
(TPPII_N) 		5 GLY X  75
VAL X 256
ARG X 838
LEU X 209
CYH X 207
 None
 1.12A 3mnpA-3lxuX:
undetectable		 3mnpA-3lxuX:
11.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lxu TRIPEPTIDYL-PEPTIDAS
E 2

(Drosophila
melanogaster) 		PF00082
(Peptidase_S8)
PF12580
(TPPII)
PF12583
(TPPII_N) 		5 GLY X  75
VAL X 256
LEU X 209
CYH X 207
ILE X 135
 None
 1.04A 3mnpA-3lxuX:
undetectable		 3mnpA-3lxuX:
11.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m6m RPFF PROTEIN

(Xanthomonas
campestris) 		PF00378
(ECH_1) 		5 VAL A 219
ARG A  24
LEU A 130
ILE A  52
PHE A 117
 None
 1.30A 3mnpA-3m6mA:
undetectable		 3mnpA-3m6mA:
24.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n7k BOTULINUM NEUROTOXIN
TYPE C1

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 GLY A 967
MET A 934
VAL A 930
ILE A 970
PHE A 979
 None
 1.33A 3mnpA-3n7kA:
undetectable		 3mnpA-3n7kA:
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.
3npe 9-CIS-EPOXYCAROTENOI
D DIOXYGENASE 1,
CHLOROPLASTIC

(Zea mays) 		PF03055
(RPE65) 		5 ASN A 156
GLY A 591
VAL A 152
ARG A 483
THR A 195
 None
 1.15A 3mnpA-3npeA:
undetectable		 3mnpA-3npeA:
16.36
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.
3nwy URIDYLATE KINASE

(Mycobacterium
tuberculosis) 		PF00696
(AA_kinase) 		5 ASN A  79
GLY A  43
VAL A  57
LEU A 111
PHE A  80
 None
 1.30A 3mnpA-3nwyA:
undetectable		 3mnpA-3nwyA:
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.
3pp8 GLYOXYLATE/HYDROXYPY
RUVATE REDUCTASE A

(Salmonella
enterica) 		PF02826
(2-Hacid_dh_C) 		5 GLY A 143
VAL A 151
LEU A 155
THR A 191
PHE A 187
 None
 1.37A 3mnpA-3pp8A:
undetectable		 3mnpA-3pp8A:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Sus scrofa) 		PF00305
(Lipoxygenase) 		5 GLY A 539
GLN A 540
ARG A 364
LEU A 466
ILE A 638
 None
 1.33A 3mnpA-3rdeA:
undetectable		 3mnpA-3rdeA:
18.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		9 ASN A  33
GLY A  36
GLN A  39
MET A  70
ARG A  80
LEU A 201
CYH A 205
THR A 208
PHE A 219
 1CA  A 249 (-3.0A)
1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.5A)
1CA  A 249 ( 4.2A)
1CA  A 249 (-4.0A)
1CA  A 249 (-3.2A)
1CA  A 249 (-4.3A)
 0.46A 3mnpA-3ry9A:
35.5		 3mnpA-3ry9A:
69.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		6 ASN A  33
GLY A  37
MET A  70
CYH A 205
THR A 208
PHE A 219
 1CA  A 249 (-3.0A)
None
1CA  A 249 ( 3.8A)
1CA  A 249 (-4.0A)
1CA  A 249 (-3.2A)
1CA  A 249 (-4.3A)
 0.90A 3mnpA-3ry9A:
35.5		 3mnpA-3ry9A:
69.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		6 GLY A  36
GLN A  39
MET A  70
ARG A  80
MET A 115
LEU A 201
 1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.5A)
1CA  A 249 (-3.6A)
1CA  A 249 ( 4.2A)
 1.00A 3mnpA-3ry9A:
35.5		 3mnpA-3ry9A:
69.92
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.
3tqr PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Coxiella
burnetii) 		PF00551
(Formyl_trans_N) 		5 VAL A 143
MET A 108
LEU A  89
ILE A  60
PHE A  71
 None
 1.28A 3mnpA-3tqrA:
undetectable		 3mnpA-3tqrA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vf1 11R-LIPOXYGENASE

(Gersemia
fruticosa) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 ASN A 413
GLY A 416
VAL A 439
MET A 442
LEU A 158
 None
 1.34A 3mnpA-3vf1A:
undetectable		 3mnpA-3vf1A:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w0k BIFUNCTIONAL
ENDOMANNANASE/ENDOGL
UCANASE

(Caldanaerobius
polysaccharolyticus) 		PF00150
(Cellulase) 		5 GLN A   9
VAL A  43
LEU A  81
CYH A  80
PHE A  38
 None
 1.39A 3mnpA-3w0kA:
undetectable		 3mnpA-3w0kA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 GLY A  53
GLN A 348
MET A 124
CYH A 152
ILE A1234
 FES  A3002 (-3.9A)
None
None
FES  A3001 (-2.2A)
None
 1.36A 3mnpA-3zyvA:
undetectable		 3mnpA-3zyvA:
11.21
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.
4ayr MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E

(Caulobacter sp.
K31) 		PF01532
(Glyco_hydro_47) 		5 GLY A 194
MET A 213
LEU A 255
THR A 451
ILE A 124
 None
None
None
IFL  A 503 ( 3.0A)
None
 1.30A 3mnpA-4ayrA:
undetectable		 3mnpA-4ayrA:
19.69
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.
4eyc CATHELICIDIN
ANTIMICROBIAL
PEPTIDE

(Homo sapiens) 		PF00666
(Cathelicidins) 		5 ASN A  47
GLY A  45
VAL A  39
LEU A  58
THR A  84
 None
 1.16A 3mnpA-4eycA:
undetectable		 3mnpA-4eycA:
19.69
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.
4g97 RESPONSE REGULATOR
RECEIVER

(Brucella
abortus) 		PF00072
(Response_reg) 		5 MET A 245
VAL A 104
ARG A  53
LEU A 249
ILE A 192
 None
 1.12A 3mnpA-4g97A:
undetectable		 3mnpA-4g97A:
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.
4jlv C-TERMINAL FRAGMENT
OF MEMBRANE PROTEIN
CAPA1, PUTATIVE
UNCHARACTERIZED
PROTEIN CAPB1

(Staphylococcus
aureus) 		PF13614
(AAA_31) 		5 GLY A1027
VAL A 214
LEU A1210
ILE A1021
PHE A1025
 None
 1.23A 3mnpA-4jlvA:
undetectable		 3mnpA-4jlvA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jre NITRITE EXTRUSION
PROTEIN 1

(Escherichia
coli) 		PF07690
(MFS_1) 		5 ASN A 175
GLY A 172
MET A 151
LEU A 407
PHE A  49
 NO2  A 501 ( 4.4A)
None
None
None
NO2  A 501 (-4.8A)
 1.38A 3mnpA-4jreA:
undetectable		 3mnpA-4jreA:
19.96
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.
4mit RHO FAMILY GTPASE

(Entamoeba
histolytica) 		PF00071
(Ras) 		5 GLY A  19
VAL A  15
LEU A  27
CYH A  25
ILE A  40
 GTP  A 201 (-3.5A)
None
None
GTP  A 201 (-3.2A)
None
 1.37A 3mnpA-4mitA:
undetectable		 3mnpA-4mitA:
20.91
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.
4mnr PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Eggerthella
lenta) 		PF00905
(Transpeptidase) 		5 GLY A 175
MET A 142
VAL A  59
LEU A 339
ILE A 267
 None
 1.23A 3mnpA-4mnrA:
undetectable		 3mnpA-4mnrA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n3n EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN,
EIF5B(517-C)

(Chaetomium
thermophilum) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		5 GLN A 558
ARG A 544
LEU A 753
THR A 764
ILE A 758
 None
 1.27A 3mnpA-4n3nA:
undetectable		 3mnpA-4n3nA:
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.
4n81 INOSITOL
MONOPHOSPHATASE

(Zymomonas
mobilis) 		PF00459
(Inositol_P) 		5 GLY A 245
MET A 225
LEU A 214
THR A 135
ILE A 142
 None
 1.12A 3mnpA-4n81A:
undetectable		 3mnpA-4n81A:
20.56
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.
4n8g TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Chromohalobacter
salexigens) 		PF03480
(DctP) 		5 GLY A 311
LEU A 156
THR A 234
ILE A 165
PHE A 307
 None
DAL  A 402 ( 4.7A)
None
None
None
 1.30A 3mnpA-4n8gA:
undetectable		 3mnpA-4n8gA:
21.47
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.
4nnd TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 18

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ASN A  56
GLY A  51
VAL A  73
ARG A 271
LEU A  75
 None
 1.32A 3mnpA-4nndA:
undetectable		 3mnpA-4nndA:
20.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 ASN A 564
GLY A 567
GLN A 570
MET A 601
ARG A 611
MET A 646
LEU A 732
CYH A 736
THR A 739
ILE A 747
PHE A 749
 MOF  A 801 (-3.0A)
MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
MOF  A 801 (-3.7A)
MOF  A 801 (-4.2A)
MOF  A 801 (-4.4A)
MOF  A 801 ( 4.2A)
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
MOF  A 801 ( 4.4A)
MOF  A 801 (-4.4A)
 0.63A 3mnpA-4p6wA:
37.7		 3mnpA-4p6wA:
91.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 ASN A 564
GLY A 568
MET A 601
CYH A 736
THR A 739
ILE A 747
PHE A 749
 MOF  A 801 (-3.0A)
None
MOF  A 801 (-3.7A)
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
MOF  A 801 ( 4.4A)
MOF  A 801 (-4.4A)
 0.91A 3mnpA-4p6wA:
37.7		 3mnpA-4p6wA:
91.67
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.
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 GLY A  31
MET A  28
VAL A 223
LEU A 553
PHE A 518
 None
 1.18A 3mnpA-4pfwA:
undetectable		 3mnpA-4pfwA:
20.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 ASN A 770
GLN A 776
MET A 807
ARG A 817
LEU A 938
CYH A 942
THR A 945
PHE A 956
 CV7  A1987 (-3.1A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-4.0A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
 0.33A 3mnpA-4udbA:
35.1		 3mnpA-4udbA:
53.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ASN A 770
GLY A 774
MET A 807
THR A 945
PHE A 956
 CV7  A1987 (-3.1A)
None
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
 1.12A 3mnpA-4udbA:
35.1		 3mnpA-4udbA:
53.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLN A 776
MET A 807
ARG A 817
MET A 852
LEU A 938
 CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.7A)
CV7  A1987 ( 3.9A)
 0.96A 3mnpA-4udbA:
35.1		 3mnpA-4udbA:
53.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a8z NEUTROPHIL ELASTASE

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLN A 233
VAL A 181
LEU A 199
THR A  45
ILE A  47
 None
 1.38A 3mnpA-5a8zA:
undetectable		 3mnpA-5a8zA:
19.77
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.
5ayh CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Mus musculus) 		PF12777
(MT) 		5 MET A3365
LEU A3324
CYH A3323
ILE A3349
PHE A3345
 None
 1.37A 3mnpA-5ayhA:
undetectable		 3mnpA-5ayhA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 MET A 587
LEU A 615
CYH A 641
ILE A 674
PHE A 698
 None
 1.38A 3mnpA-5bs5A:
undetectable		 3mnpA-5bs5A:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 VAL A 863
ARG A 611
LEU A 861
THR A 766
ILE A 763
 None
 1.34A 3mnpA-5dkxA:
undetectable		 3mnpA-5dkxA:
14.72
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.
5dlm HEAVY CHAIN OF
MONOCLONAL ANTIBODY

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H 106
GLN H   6
MET H  34
VAL H  78
LEU H  29
 None
 1.37A 3mnpA-5dlmH:
undetectable		 3mnpA-5dlmH:
17.94
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 ASN A  98
GLY A  76
GLN A 318
LEU A 672
ILE A 100
 None
 1.32A 3mnpA-5dotA:
undetectable		 3mnpA-5dotA:
10.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 GLY A  50
GLN A 348
MET A 121
CYH A 149
ILE A1238
 FES  A3002 (-3.4A)
None
None
FES  A3001 (-2.1A)
None
 1.39A 3mnpA-5epgA:
undetectable		 3mnpA-5epgA:
12.07
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.
5f4z EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		5 GLY A  98
VAL A 197
LEU A 182
ILE A 307
PHE A 303
 None
 1.25A 3mnpA-5f4zA:
undetectable		 3mnpA-5f4zA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis) 		PF14592
(Chondroitinas_B) 		5 GLY A 665
VAL A 605
LEU A 608
ILE A 682
PHE A 684
 None
 1.24A 3mnpA-5gkqA:
undetectable		 3mnpA-5gkqA:
16.26
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.
5hde TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 12

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ASN A  58
GLY A  53
VAL A  75
ARG A 273
LEU A  77
 None
 1.36A 3mnpA-5hdeA:
undetectable		 3mnpA-5hdeA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzh RAS-RELATED C3
BOTULINUM TOXIN
SUBSTRATE
1,NPH1-1,RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		5 GLY A  12
VAL A   8
LEU A  20
CYH A  18
ILE A  33
 GTP  A 401 (-3.5A)
None
None
GTP  A 401 (-3.4A)
None
 1.32A 3mnpA-5hzhA:
undetectable		 3mnpA-5hzhA:
21.62
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.
5i6v TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 11

(Homo sapiens) 		PF00017
(SH2)
PF00102
(Y_phosphatase) 		5 ASN A 273
GLY A 268
VAL A 290
ARG A 501
LEU A 292
 None
 1.34A 3mnpA-5i6vA:
undetectable		 3mnpA-5i6vA:
18.75
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.
5kha GLUTAMINE-DEPENDENT
NAD+ SYNTHETASE

(Acinetobacter
baumannii) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 ASN A 433
MET A 334
VAL A 301
LEU A 297
ILE A 446
 None
 1.27A 3mnpA-5khaA:
undetectable		 3mnpA-5khaA:
18.69
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.
5l35 GENE 5 PROTEIN

(Shigella virus
Sf6) 		PF11651
(P22_CoatProtein) 		5 ASN A 352
VAL A  26
LEU A 211
ILE A 143
PHE A 419
 None
 1.36A 3mnpA-5l35A:
undetectable		 3mnpA-5l35A:
20.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 8 ASN A 770
GLN A 776
MET A 807
ARG A 817
LEU A 938
CYH A 942
THR A 945
PHE A 956
 ECV  A1101 (-3.1A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
ECV  A1101 ( 4.3A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
 0.49A 3mnpA-5mwpA:
35.1		 3mnpA-5mwpA:
47.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 6 ASN A 770
GLY A 774
GLN A 776
MET A 807
THR A 945
PHE A 956
 ECV  A1101 (-3.1A)
None
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
 1.22A 3mnpA-5mwpA:
35.1		 3mnpA-5mwpA:
47.50
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.
5u6s UDP-GLYCOSYLTRANSFER
ASE 74F2

(Arabidopsis
thaliana) 		PF00201
(UDPGT) 		5 ASN A 346
GLY A 344
GLN A 367
VAL A 138
THR A 225
 UDP  A 503 (-3.7A)
UDP  A 503 (-3.6A)
None
None
None
 1.38A 3mnpA-5u6sA:
undetectable		 3mnpA-5u6sA:
21.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 5 ASN A 560
GLY A 563
GLN A 566
MET A 597
ARG A 607
 486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
 0.78A 3mnpA-5uc1A:
25.4		 3mnpA-5uc1A:
90.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 5 GLY A 563
GLN A 566
MET A 597
ARG A 607
MET A 642
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.71A 3mnpA-5uc1A:
25.4		 3mnpA-5uc1A:
90.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		9 ASN A  33
GLY A  36
GLN A  39
MET A  70
ARG A  80
LEU A 201
CYH A 205
THR A 208
PHE A 218
 1TA  A 301 (-3.0A)
1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 3.8A)
1TA  A 301 (-3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 0.32A 3mnpA-5ufsA:
38.6		 3mnpA-5ufsA:
75.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		6 ASN A  33
GLY A  37
MET A  70
CYH A 205
THR A 208
PHE A 218
 1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 0.87A 3mnpA-5ufsA:
38.6		 3mnpA-5ufsA:
75.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		8 GLY A  36
GLN A  39
MET A  70
ARG A  80
MET A 115
LEU A 201
CYH A 205
THR A 208
 1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 2.8A)
1TA  A 301 ( 3.8A)
1TA  A 301 (-3.6A)
1TA  A 301 (-3.0A)
 0.72A 3mnpA-5ufsA:
38.6		 3mnpA-5ufsA:
75.20
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.
5uxv SENSORY TRANSDUCTION
REGULATORY PROTEIN

(Bartonella
quintana) 		no annotation 5 MET A 245
VAL A 104
ARG A  53
LEU A 249
ILE A 192
 None
 1.23A 3mnpA-5uxvA:
undetectable		 3mnpA-5uxvA:
14.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vyo THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Burkholderia
pseudomallei) 		no annotation 5 GLY A 166
GLN A 165
VAL A 189
LEU A 185
ILE A 156
 None
 1.33A 3mnpA-5vyoA:
undetectable		 3mnpA-5vyoA:
12.36
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.
6e85 -

(-) 		no annotation 5 GLY A 288
ARG A 182
THR A 107
ILE A 118
PHE A 291
 None
 1.07A 3mnpA-6e85A:
undetectable		 3mnpA-6e85A:
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.
6f36 MITOCHONDRIAL ATP
SYNTHASE SUBUNIT 6
MITOCHONDRIAL ATP
SYNTHASE SUBUNIT
ASA6

(Polytomella sp.
Pringsheim
198.80) 		no annotation 5 ASN M 163
GLY M 166
ARG N  89
LEU M 245
ILE M 159
 None
 1.28A 3mnpA-6f36M:
undetectable		 3mnpA-6f36M:
18.15
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.
7fab IGG1-LAMBDA NEW FAB
(HEAVY CHAIN)

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 MET H  69
VAL H  67
ARG H  64
LEU H  80
ILE H 104
 None
 1.39A 3mnpA-7fabH:
undetectable		 3mnpA-7fabH:
20.97
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.
1iug PUTATIVE ASPARTATE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00266
(Aminotran_5) 		4 LEU A 263
TRP A   3
MET A 340
TYR A 332
 None
 1.31A 3mnpA-1iugA:
0.0		 3mnpA-1iugA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1obh LEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2)
PF14795
(Leucyl-specific) 		4 LEU A 736
MET A  58
GLN A  69
TYR A  71
 None
 1.40A 3mnpA-1obhA:
0.1		 3mnpA-1obhA:
14.34
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.
1yfo RECEPTOR PROTEIN
TYROSINE PHOSPHATASE
ALPHA

(Mus musculus) 		PF00102
(Y_phosphatase) 		4 MET A 449
LEU A 450
MET A 411
TYR A 486
 None
 1.49A 3mnpA-1yfoA:
0.0		 3mnpA-1yfoA:
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.
2ane ATP-DEPENDENT
PROTEASE LA

(Escherichia
coli) 		PF02190
(LON_substr_bdg) 		4 MET A  51
LEU A  52
MET A  25
TYR A 116
 None
 1.42A 3mnpA-2aneA:
undetectable		 3mnpA-2aneA:
19.46
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.
2b4v RNA EDITING COMPLEX
PROTEIN MP57

(Trypanosoma
brucei) 		PF01909
(NTP_transf_2)
PF03828
(PAP_assoc) 		4 LEU A  98
MET A  56
GLN A  64
TYR A 352
 None
 1.29A 3mnpA-2b4vA:
0.2		 3mnpA-2b4vA:
18.46
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.
2qym PHOSPHODIESTERASE 4C

(Homo sapiens) 		PF00233
(PDEase_I) 		4 MET A 408
LEU A 405
MET A 399
GLN A 430
 None
 1.21A 3mnpA-2qymA:
3.4		 3mnpA-2qymA:
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.
3cnu PREDICTED CODING
REGION AF_1534

(Archaeoglobus
fulgidus) 		PF02036
(SCP2) 		4 TRP A  28
MET A  98
GLN A  33
TYR A  42
 None
 1.38A 3mnpA-3cnuA:
undetectable		 3mnpA-3cnuA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		4 MET A 452
LEU A 449
MET A 443
GLN A 474
 None
 1.47A 3mnpA-3g4gA:
undetectable		 3mnpA-3g4gA:
20.43
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.
3ius UNCHARACTERIZED
CONSERVED PROTEIN

(Ruegeria
pomeroyi) 		no annotation 4 LEU A  64
TRP A  26
MET A 193
GLN A  91
 None
 1.17A 3mnpA-3iusA:
0.0		 3mnpA-3iusA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjk NMB1025 PROTEIN

(Neisseria
meningitidis) 		PF01042
(Ribonuc_L-PSP) 		4 MET A  27
TRP A  80
MET A  76
GLN A  45
 None
 1.31A 3mnpA-3kjkA:
undetectable		 3mnpA-3kjkA:
16.67
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.
4arc LEUCINE--TRNA LIGASE

(Escherichia
coli) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		4 MET A 114
LEU A 115
TRP A  79
GLN A 631
 None
 0.80A 3mnpA-4arcA:
undetectable		 3mnpA-4arcA:
15.20
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.
4arv PHYTASE

(Yersinia
kristensenii) 		PF00328
(His_Phos_2) 		4 MET A 360
LEU A 363
TRP A  41
GLN A 326
 None
 1.23A 3mnpA-4arvA:
undetectable		 3mnpA-4arvA:
23.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 LEU A 563
TRP A 600
MET A 604
TYR A 735
 MOF  A 801 (-3.9A)
None
None
MOF  A 801 (-4.8A)
 0.74A 3mnpA-4p6wA:
37.7		 3mnpA-4p6wA:
91.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 MET A 560
LEU A 563
TRP A 600
MET A 604
 MOF  A 801 (-3.9A)
MOF  A 801 (-3.9A)
None
None
 0.21A 3mnpA-4p6wA:
37.7		 3mnpA-4p6wA:
91.67
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.
4pot VP1

(Human
polyomavirus 9) 		PF00718
(Polyoma_coat) 		4 MET A 123
LEU A 286
MET A  56
TYR A  51
 None
 1.08A 3mnpA-4potA:
undetectable		 3mnpA-4potA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ry8 PERIPLASMIC BINDING
PROTEIN

(Pseudothermotoga
lettingae) 		PF13407
(Peripla_BP_4) 		4 LEU A 143
MET A 175
GLN A 147
TYR A 247
 None
 1.46A 3mnpA-4ry8A:
undetectable		 3mnpA-4ry8A:
20.82
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.
4uug AMINE TRANSAMINASE

(Aspergillus
fumigatus) 		PF01063
(Aminotran_4) 		4 LEU A 210
MET A 271
GLN A 262
TYR A 227
 None
 1.37A 3mnpA-4uugA:
undetectable		 3mnpA-4uugA:
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.
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER

(Homo sapiens) 		PF00209
(SNF) 		4 MET A 528
LEU A 529
TRP A 541
GLN A 141
 None
 1.35A 3mnpA-5i6zA:
undetectable		 3mnpA-5i6zA:
18.00
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.
5l3x NEGATIVE ELONGATION
FACTOR A
NEGATIVE ELONGATION
FACTOR C/D

(Homo sapiens) 		PF04858
(TH1)
no annotation 		4 MET B 245
TRP A  89
GLN B 242
TYR B 238
 None
 1.42A 3mnpA-5l3xB:
undetectable		 3mnpA-5l3xB:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l3x NEGATIVE ELONGATION
FACTOR A
NEGATIVE ELONGATION
FACTOR C/D

(Homo sapiens) 		PF04858
(TH1)
no annotation 		4 MET B 245
TRP A  89
MET A  92
GLN B 242
 None
 1.48A 3mnpA-5l3xB:
undetectable		 3mnpA-5l3xB:
23.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 4 MET A 556
LEU A 559
MET A 600
GLN A 638
 None
486  A 801 (-4.7A)
None
486  A 801 (-4.6A)
 1.23A 3mnpA-5uc1A:
25.4		 3mnpA-5uc1A:
90.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		4 MET A  29
LEU A  32
TRP A  69
MET A  73
 1TA  A 301 ( 2.9A)
1TA  A 301 (-3.5A)
None
1TA  A 301 (-4.2A)
 0.18A 3mnpA-5ufsA:
38.6		 3mnpA-5ufsA:
75.20