SIMILAR PATTERNS OF AMINO ACIDS FOR 3BWM_A_SAMA301

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.
1gv0 MALATE DEHYDROGENASE

(Chlorobaculum
tepidum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASN A  94
VAL A  98
GLY A   7
ILE A  37
GLN A  39
 NAD  A1306 (-4.1A)
None
NAD  A1306 ( 4.1A)
None
None
 1.01A 3bwmA-1gv0A:
6.9		 3bwmA-1gv0A:
24.09
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.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ASN A 437
VAL A 164
TYR A 612
ILE A 555
ASN A 618
 None
 1.40A 3bwmA-1h17A:
undetectable		 3bwmA-1h17A:
15.87
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.
1hr7 MITOCHONDRIAL
PROCESSING PEPTIDASE
BETA SUBUNIT

(Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ASN B  62
VAL B  63
GLY B 182
ILE B 147
SER B 151
 None
 1.21A 3bwmA-1hr7B:
undetectable		 3bwmA-1hr7B:
20.61
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.
1m1j FIBRINOGEN BETA
CHAIN

(Gallus gallus) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		5 MET B 451
GLY B 446
TYR B 449
TYR B 421
SER B 362
 None
 1.32A 3bwmA-1m1jB:
undetectable		 3bwmA-1m1jB:
16.77
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.
1su3 INTERSTITIAL
COLLAGENASE

(Homo sapiens) 		PF00045
(Hemopexin)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		5 VAL A 215
GLY A  93
TYR A 240
SER A 172
HIS A 183
 None
None
None
None
ZN  A 915 (-3.3A)
 1.35A 3bwmA-1su3A:
undetectable		 3bwmA-1su3A:
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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		6 MET A  61
GLY A  87
TYR A  89
TYR A  92
ILE A 112
ASN A 113
 SPF  A 401 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
SAH  A 301 (-4.0A)
None
 0.74A 3bwmA-1susA:
21.0		 3bwmA-1susA:
24.70
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.
1usw FERULOYL ESTERASE A

(Aspergillus
niger) 		PF01764
(Lipase_3) 		5 VAL A  96
GLY A 103
TYR A 100
ASN A  73
GLN A  45
 None
 1.39A 3bwmA-1uswA:
undetectable		 3bwmA-1uswA:
20.62
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.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLY A 699
ILE A 697
SER A 710
HIS A 698
TRP A 623
 None
 1.50A 3bwmA-1z68A:
undetectable		 3bwmA-1z68A:
15.76
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.
2j4g HYALURONOGLUCOSAMINI
DASE

(Bacteroides
thetaiotaomicron) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		5 ASN A 250
GLY A 209
ILE A 206
SER A 172
HIS A 207
 None
 1.24A 3bwmA-2j4gA:
undetectable		 3bwmA-2j4gA:
14.62
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.
2rau PUTATIVE ESTERASE

(Sulfolobus
solfataricus) 		PF12146
(Hydrolase_4) 		5 VAL A  52
GLY A 149
TYR A 146
ILE A 155
SER A 151
 None
None
None
None
PEG  A 360 (-3.2A)
 1.35A 3bwmA-2rauA:
2.6		 3bwmA-2rauA:
23.97
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.
2rfz CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Melanocarpus
albomyces) 		PF00840
(Glyco_hydro_7) 		5 VAL A 183
GLY A 168
TYR A 171
ILE A  34
TRP A  38
 None
None
None
None
CTR  A 432 (-3.8A)
 1.49A 3bwmA-2rfzA:
undetectable		 3bwmA-2rfzA:
19.68
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.
2vsk HEMAGGLUTININ-NEURAM
INIDASE

(Hendra
henipavirus) 		PF00423
(HN) 		5 ASN A 306
ILE A 438
SER A 411
GLN A 455
TRP A 504
 None
 1.42A 3bwmA-2vskA:
undetectable		 3bwmA-2vskA:
20.19
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.
2zyg 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING

(Klebsiella
pneumoniae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 ASN A 187
VAL A 185
GLY A 179
ILE A 123
GLN A 145
 None
 1.49A 3bwmA-2zygA:
6.9		 3bwmA-2zygA:
18.11
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.
3aag GENERAL
GLYCOSYLATION
PATHWAY PROTEIN

(Campylobacter
jejuni) 		PF02516
(STT3) 		5 ASN A 691
TYR A 645
ASN A 638
SER A 664
GLN A 670
 None
MLY  A 646 ( 4.1A)
None
None
None
 1.28A 3bwmA-3aagA:
undetectable		 3bwmA-3aagA:
18.89
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.
3bvh FIBRINOGEN BETA
CHAIN

(Homo sapiens) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		5 MET B 447
GLY B 442
TYR B 445
TYR B 417
SER B 358
 None
 1.26A 3bwmA-3bvhB:
undetectable		 3bwmA-3bvhB:
18.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		12 MET A  40
ASN A  41
VAL A  42
GLY A  66
TYR A  68
TYR A  71
ILE A  91
ASN A  92
SER A 119
GLN A 120
HIS A 142
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
SAM  A 301 (-3.9A)
None
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
 0.00A 3bwmA-3bwmA:
43.7		 3bwmA-3bwmA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fsg ALPHA/BETA
SUPERFAMILY
HYDROLASE

(Oenococcus oeni) 		PF12697
(Abhydrolase_6) 		5 VAL A 219
GLY A 243
TYR A 221
ASN A 240
HIS A 133
 None
 1.36A 3bwmA-3fsgA:
2.9		 3bwmA-3fsgA:
21.20
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.
3gqc DNA REPAIR PROTEIN
REV1

(Homo sapiens) 		PF00817
(IMS)
PF11799
(IMS_C) 		5 MET A 803
GLY A 818
ILE A 739
SER A 713
HIS A 820
 None
 1.47A 3bwmA-3gqcA:
undetectable		 3bwmA-3gqcA:
19.68
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.
3hdx SUSD SUPERFAMILY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ASN A 284
GLY A 225
ILE A 264
ASN A 265
SER A 232
 None
EDO  A 608 (-3.4A)
None
None
EDO  A 608 ( 4.1A)
 1.29A 3bwmA-3hdxA:
undetectable		 3bwmA-3hdxA:
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.
3hoi FMN-DEPENDENT
NITROREDUCTASE
BF3017

(Bacteroides
fragilis) 		PF00881
(Nitroreductase) 		5 VAL A  94
ASN A  68
SER A 168
GLN A 165
HIS A 205
 None
 1.49A 3bwmA-3hoiA:
undetectable		 3bwmA-3hoiA:
24.23
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.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		5 VAL A 158
GLY A 259
ILE A 191
ASN A 192
SER A 181
 None
 1.09A 3bwmA-3lvvA:
undetectable		 3bwmA-3lvvA:
14.83
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.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		5 VAL A  55
GLY A  79
TYR A  84
ASN A 104
GLN A 154
 SO4  A 233 (-4.2A)
None
SO4  A 233 (-4.9A)
None
None
 1.17A 3bwmA-3ntvA:
20.9		 3bwmA-3ntvA:
22.67
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.
3pg1 MITOGEN-ACTIVATED
PROTEIN KINASE,
PUTATIVE (MAP
KINASE-LIKE PROTEIN)

(Leishmania
major) 		PF00069
(Pkinase) 		5 MET A 115
VAL A  48
GLY A  92
ILE A  90
ASN A  89
 None
 1.33A 3bwmA-3pg1A:
undetectable		 3bwmA-3pg1A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ss6 ACETYL-COA
ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 VAL A 325
TYR A 322
ILE A 349
SER A  90
GLN A  85
 None
None
CSO  A  88 ( 4.4A)
CSO  A  88 ( 4.7A)
None
 1.38A 3bwmA-3ss6A:
undetectable		 3bwmA-3ss6A:
20.31
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.
3v9e LACCASE

(Botrytis aclada) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 101
TYR A  99
ILE A  86
SER A 132
GLN A 137
 None
 1.45A 3bwmA-3v9eA:
undetectable		 3bwmA-3v9eA:
14.46
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.
3x1b LACCASE

(Lentinus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 VAL A 373
GLY A 100
ILE A  84
SER A 131
GLN A 136
 None
 1.49A 3bwmA-3x1bA:
undetectable		 3bwmA-3x1bA:
21.41
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 ASN A  98
GLY A 150
TYR A  99
GLN A 281
HIS A 142
 None
GOL  A 800 ( 3.5A)
B3N  A 700 ( 3.8A)
None
B3N  A 700 (-3.7A)
 1.45A 3bwmA-4bz7A:
4.3		 3bwmA-4bz7A:
19.05
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.
4ic6 PROTEASE DO-LIKE 8,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ASN A 132
VAL A 131
GLY A 293
ILE A 287
ASN A 288
 None
 1.30A 3bwmA-4ic6A:
undetectable		 3bwmA-4ic6A:
20.75
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.
4ig7 UBIQUITIN C-TERMINAL
HYDROLASE 37

(Trichinella
spiralis) 		PF01088
(Peptidase_C12) 		5 VAL A 168
GLY A  48
TYR A 173
GLN A 225
HIS A  47
 None
 1.25A 3bwmA-4ig7A:
undetectable		 3bwmA-4ig7A:
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.
4n03 ABC-TYPE
BRANCHED-CHAIN AMINO
ACID TRANSPORT
SYSTEMS PERIPLASMIC
COMPONENT-LIKE
PROTEIN

(Thermomonospora
curvata) 		PF13458
(Peripla_BP_6) 		5 GLY A 332
TYR A  78
ILE A 145
SER A 147
HIS A 123
 None
 1.34A 3bwmA-4n03A:
5.3		 3bwmA-4n03A:
20.05
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.
4oe6 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00171
(Aldedh) 		5 VAL A 155
GLY A 152
TYR A 156
ILE A 403
ASN A 212
 None
 1.50A 3bwmA-4oe6A:
4.3		 3bwmA-4oe6A:
15.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		7 GLY A 109
TYR A 114
ILE A 134
ASN A 135
SER A 162
GLN A 163
HIS A 185
 2F6  A 301 (-3.6A)
None
2F6  A 301 (-3.7A)
None
2F6  A 301 (-3.2A)
2F6  A 301 (-3.8A)
None
 0.46A 3bwmA-4p58A:
33.6		 3bwmA-4p58A:
81.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		5 GLY A 109
TYR A 138
SER A 162
GLN A 163
HIS A 185
 2F6  A 301 (-3.6A)
None
2F6  A 301 (-3.2A)
2F6  A 301 (-3.8A)
None
 1.11A 3bwmA-4p58A:
33.6		 3bwmA-4p58A:
81.60
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.
4pxq D-GLUCURONYL C5
EPIMERASE B

(Danio rerio) 		PF06662
(C5-epim_C) 		5 ASN A 552
GLY A 558
TYR A 131
ILE A 565
SER A 563
 None
 1.38A 3bwmA-4pxqA:
undetectable		 3bwmA-4pxqA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zgv FERREDOXIN RECEPTOR

(Pectobacterium
atrosepticum) 		PF07715
(Plug) 		5 MET A 660
TYR A 574
ILE A 139
ASN A 140
SER A 450
 None
 1.10A 3bwmA-4zgvA:
undetectable		 3bwmA-4zgvA:
13.34
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.
5amq RNA POLYMERASE L

(California
encephalitis
orthobunyavirus) 		PF04196
(Bunya_RdRp)
PF15518
(L_protein_N) 		5 ASN A 469
GLY A 310
ILE A 308
SER A 589
HIS A 565
 None
 1.39A 3bwmA-5amqA:
undetectable		 3bwmA-5amqA:
7.26
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.
5awm STRESS-ACTIVATED
PROTEIN KINASE JNK

(Drosophila
melanogaster) 		PF00069
(Pkinase) 		5 MET A 109
VAL A  50
GLY A  85
ILE A  83
ASN A  82
 None
 1.47A 3bwmA-5awmA:
undetectable		 3bwmA-5awmA:
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.
5cd2 ENDO-1,4-D-GLUCANASE

(Aliivibrio
fischeri) 		PF01270
(Glyco_hydro_8) 		5 ASN A 154
GLY A 161
TYR A 156
SER A 166
HIS A 162
 None
 1.35A 3bwmA-5cd2A:
undetectable		 3bwmA-5cd2A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dzt CYLM

(Enterococcus
faecalis) 		PF05147
(LANC_like)
PF13575
(DUF4135) 		5 ASN A  11
GLY A  60
TYR A  53
GLN A  31
TRP A  33
 None
 1.50A 3bwmA-5dztA:
undetectable		 3bwmA-5dztA:
11.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fnu KELCH-LIKE
ECH-ASSOCIATED
PROTEIN 1

(Mus musculus) 		PF01344
(Kelch_1) 		5 VAL A 453
GLY A 429
TYR A 490
ILE A 461
HIS A 437
 None
 1.26A 3bwmA-5fnuA:
undetectable		 3bwmA-5fnuA:
22.54
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.
5gjv VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S

(Oryctolagus
cuniculus) 		PF00520
(Ion_trans)
PF08763
(Ca_chan_IQ)
PF16905
(GPHH) 		5 ASN A 654
VAL A 655
GLY A 648
TYR A 650
ILE A 643
 None
None
None
PC1  A1906 ( 4.8A)
PC1  A1903 ( 4.5A)
 1.35A 3bwmA-5gjvA:
undetectable		 3bwmA-5gjvA:
7.62
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		5 GLY A1054
TYR A1167
ASN A1074
SER A1399
GLN A1400
 None
 1.43A 3bwmA-5gzuA:
undetectable		 3bwmA-5gzuA:
12.63
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.
5i8o HMM5 ANTIBODY HEAVY
CHAIN
HMM5 ANTIBODY LIGHT
CHAIN

(Homo sapiens;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 VAL L 100
GLY H  48
TYR L  94
ILE H  33
ASN H  32
 None
None
None
None
FUC  H 301 (-3.2A)
 1.38A 3bwmA-5i8oL:
undetectable		 3bwmA-5i8oL:
25.31
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.
5i8o HMM5 ANTIBODY HEAVY
CHAIN
HMM5 ANTIBODY LIGHT
CHAIN

(Homo sapiens;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 VAL L 100
GLY H  48
TYR L  94
ILE H  50
ASN H  32
 None
None
None
None
FUC  H 301 (-3.2A)
 1.37A 3bwmA-5i8oL:
undetectable		 3bwmA-5i8oL:
25.31
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.
5iy7 GENERAL
TRANSCRIPTION FACTOR
IIE SUBUNIT 1

(Homo sapiens) 		PF02002
(TFIIE_alpha)
PF08271
(TF_Zn_Ribbon) 		5 VAL Q  21
GLY Q  27
TYR Q  20
GLN Q  58
HIS Q  30
 None
 1.48A 3bwmA-5iy7Q:
undetectable		 3bwmA-5iy7Q:
18.56
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 GLY A 101
TYR A 103
TYR A 106
ILE A 126
ASN A 127
 SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
SAM  A 301 (-4.2A)
None
 0.64A 3bwmA-5kvaA:
21.3		 3bwmA-5kvaA:
23.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 MET A  75
GLY A 101
TYR A 103
ILE A 126
ASN A 127
 SAM  A 301 (-3.8A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
SAM  A 301 (-4.2A)
None
 0.76A 3bwmA-5kvaA:
21.3		 3bwmA-5kvaA:
23.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqo NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE

(Bacteroides
thetaiotaomicron) 		PF07944
(Glyco_hydro_127) 		5 ASN A 301
GLY A 306
TYR A 304
ILE A 268
SER A 264
 None
 1.49A 3bwmA-5mqoA:
undetectable		 3bwmA-5mqoA:
16.45
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.
5o0y SERINE/THREONINE-PRO
TEIN KINASE
TOUSLED-LIKE 2

(Homo sapiens) 		no annotation 5 ASN A 576
ILE A 589
ASN A 660
SER A 617
HIS A 590
 None
 1.13A 3bwmA-5o0yA:
undetectable		 3bwmA-5o0yA:
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.
6byo VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S

(Oryctolagus
cuniculus) 		no annotation 5 ASN A 654
VAL A 655
GLY A 648
TYR A 650
ILE A 643
 None
 1.36A 3bwmA-6byoA:
undetectable		 3bwmA-6byoA:
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.
6ccz SERINE
HYDROXYMETHYLTRANSFE
RASE

(Medicago
truncatula) 		no annotation 5 GLY A 208
TYR A 266
ILE A 260
SER A 211
HIS A 209
 None
None
None
LLP  A 318 ( 3.8A)
LLP  A 318 (-3.5A)
 1.14A 3bwmA-6cczA:
3.8		 3bwmA-6cczA:
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 5 ASN A 730
VAL A 731
GLY A 689
GLN A 664
HIS A 688
 None
 1.44A 3bwmA-6fikA:
undetectable		 3bwmA-6fikA:
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.
6fmq -

(-) 		no annotation 5 VAL A 453
GLY A 429
TYR A 490
ILE A 461
HIS A 437
 None
None
None
None
ACT  A 703 (-4.3A)
 1.29A 3bwmA-6fmqA:
undetectable		 3bwmA-6fmqA:
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.
6grw -

(-) 		no annotation 5 VAL A 238
GLY A 202
ILE A 160
SER A 156
TRP A 159
 None
 1.46A 3bwmA-6grwA:
undetectable		 3bwmA-6grwA:
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.
1bl5 ISOCITRATE
DEHYDROGENASE

(Escherichia
coli) 		PF00180
(Iso_dh) 		3 SER A 310
GLU A 336
ASP A 307
 None
AKG  A   1 ( 4.6A)
MG  A 418 (-3.1A)
 0.69A 3bwmA-1bl5A:
undetectable		 3bwmA-1bl5A:
19.67
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.
1c8m HUMAN RHINOVIRUS 16
COAT PROTEIN

(Rhinovirus A) 		PF00073
(Rhv) 		3 SER 2  60
GLU 2 250
ASP 2  57
 None
 0.82A 3bwmA-1c8m2:
undetectable		 3bwmA-1c8m2:
19.08
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.
1i8d RIBOFLAVIN SYNTHASE

(Escherichia
coli) 		PF00677
(Lum_binding) 		3 SER A  14
GLU A  53
ASP A  16
 None
 0.72A 3bwmA-1i8dA:
undetectable		 3bwmA-1i8dA:
22.13
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.
1jpu GLYCEROL
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00465
(Fe-ADH) 		3 SER A 243
GLU A 180
ASP A 173
 None
None
ZN  A 371 (-2.1A)
 0.81A 3bwmA-1jpuA:
3.7		 3bwmA-1jpuA:
20.50
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.
1kq3 GLYCEROL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		3 SER A 239
GLU A 176
ASP A 169
 CL  A 501 (-3.6A)
None
ZN  A 401 (-2.4A)
 0.69A 3bwmA-1kq3A:
undetectable		 3bwmA-1kq3A:
20.48
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.
1lvg GUANYLATE KINASE

(Mus musculus) 		PF00625
(Guanylate_kin) 		3 SER A  10
GLU A 157
ASP A 103
 None
None
5GP  A1202 (-3.8A)
 0.80A 3bwmA-1lvgA:
undetectable		 3bwmA-1lvgA:
23.01
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.
1lwd ISOCITRATE
DEHYDROGENASE

(Sus scrofa) 		PF00180
(Iso_dh) 		3 SER A 278
GLU A 306
ASP A 275
 None
ICT  A 701 ( 4.2A)
MN  A 501 (-2.8A)
 0.66A 3bwmA-1lwdA:
2.2		 3bwmA-1lwdA:
20.90
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.
1r03 MITOCHONDRIAL
FERRITIN

(Homo sapiens) 		PF00210
(Ferritin) 		3 SER A  36
GLU A  89
ASP A  91
 None
 0.77A 3bwmA-1r03A:
undetectable		 3bwmA-1r03A:
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.
1tll NITRIC-OXIDE
SYNTHASE, BRAIN

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		3 SER A1412
GLU A1136
ASP A 918
 None
 0.78A 3bwmA-1tllA:
5.6		 3bwmA-1tllA:
15.49
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.
1tvc METHANE
MONOOXYGENASE
COMPONENT C

(Methylococcus
capsulatus) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		3 SER A 248
GLU A 160
ASP A 189
 None
FDA  A 252 (-3.2A)
FDA  A 252 ( 4.2A)
 0.76A 3bwmA-1tvcA:
4.1		 3bwmA-1tvcA:
21.34
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		3 SER A 327
GLU A 266
ASP A 283
 None
 0.79A 3bwmA-1ua7A:
undetectable		 3bwmA-1ua7A:
19.86
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.
1vlu GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE

(Saccharomyces
cerevisiae) 		PF00171
(Aldedh) 		3 SER A   2
GLU A 197
ASP A 191
 None
 0.86A 3bwmA-1vluA:
3.9		 3bwmA-1vluA:
18.48
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.
1xkn PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE

(Chlorobaculum
tepidum) 		PF04371
(PAD_porph) 		3 SER A  48
GLU A  81
ASP A  74
 None
 0.85A 3bwmA-1xknA:
2.3		 3bwmA-1xknA:
20.39
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.
1z3i SIMILAR TO
RAD54-LIKE

(Danio rerio) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		3 SER X 144
GLU X 108
ASP X 140
 None
 0.85A 3bwmA-1z3iX:
2.3		 3bwmA-1z3iX:
15.79
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.
1zxq INTERCELLULAR
ADHESION MOLECULE-2

(Homo sapiens) 		PF03921
(ICAM_N) 		3 SER A 153
GLU A 130
ASP A 156
 None
 0.82A 3bwmA-1zxqA:
undetectable		 3bwmA-1zxqA:
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.
2a3n PUTATIVE
GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF01380
(SIS) 		3 SER A  98
GLU A 105
ASP A 102
 None
 0.71A 3bwmA-2a3nA:
2.0		 3bwmA-2a3nA:
21.79
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.
2avd CATECHOL-O-METHYLTRA
NSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		3 SER A 116
GLU A 134
ASP A 185
 SAM  A 501 (-3.0A)
SAM  A 501 (-2.9A)
SAM  A 501 (-3.4A)
 0.19A 3bwmA-2avdA:
21.0		 3bwmA-2avdA:
22.98
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.
2cgj L-RHAMNULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		3 SER A 256
GLU A 427
ASP A 237
 None
None
LFR  A1481 (-3.0A)
 0.72A 3bwmA-2cgjA:
undetectable		 3bwmA-2cgjA:
16.53
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.
2d1c ISOCITRATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00180
(Iso_dh) 		3 SER A 251
GLU A 277
ASP A 248
 None
NAP  A1002 (-3.5A)
CIT  A1585 (-3.2A)
 0.83A 3bwmA-2d1cA:
undetectable		 3bwmA-2d1cA:
19.08
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.
2e80 CYTOCHROME C-552

(Wolinella
succinogenes) 		PF02335
(Cytochrom_C552) 		3 SER A 181
GLU A 147
ASP A 187
 None
 0.86A 3bwmA-2e80A:
undetectable		 3bwmA-2e80A:
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.
2o2v DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 5
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 3

(Homo sapiens;
Homo sapiens) 		PF00564
(PB1)
PF00564
(PB1) 		3 SER B 115
GLU B  50
ASP A  66
 None
 0.75A 3bwmA-2o2vB:
undetectable		 3bwmA-2o2vB:
19.16
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.
2ojh UNCHARACTERIZED
PROTEIN
ATU1656/AGR_C_3050

(Agrobacterium
fabrum) 		PF07676
(PD40) 		3 SER A 274
GLU A  43
ASP A  87
 None
 0.79A 3bwmA-2ojhA:
undetectable		 3bwmA-2ojhA:
21.33
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.
2oo3 PROTEIN INVOLVED IN
CATABOLISM OF
EXTERNAL DNA

(Legionella
pneumophila) 		PF04378
(RsmJ) 		3 SER A 101
GLU A 119
ASP A 165
 None
 0.18A 3bwmA-2oo3A:
11.5		 3bwmA-2oo3A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pqf POLY [ADP-RIBOSE]
POLYMERASE 12

(Homo sapiens) 		PF00644
(PARP) 		3 SER A 595
GLU A 665
ASP A 580
 CIT  A 801 ( 4.9A)
None
None
 0.85A 3bwmA-2pqfA:
undetectable		 3bwmA-2pqfA:
21.83
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.
2qa2 POLYKETIDE OXYGENASE
CABE

(Streptomyces) 		PF01494
(FAD_binding_3) 		3 SER A 291
GLU A 100
ASP A 275
 FAD  A 500 ( 3.8A)
FAD  A 500 ( 4.9A)
FAD  A 500 (-3.1A)
 0.79A 3bwmA-2qa2A:
2.8		 3bwmA-2qa2A:
20.44
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.
2wnp FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		3 SER F 100
GLU F 291
ASP F 120
 None
 0.80A 3bwmA-2wnpF:
undetectable		 3bwmA-2wnpF:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		3 SER A 723
GLU A 667
ASP A 398
 None
 0.79A 3bwmA-2yd0A:
undetectable		 3bwmA-2yd0A:
13.86
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.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688

(Pyrococcus
horikoshii) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		3 SER A 210
GLU A 222
ASP A 115
 None
 0.84A 3bwmA-3abiA:
6.9		 3bwmA-3abiA:
20.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		3 SER A  72
GLU A  90
ASP A 141
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
MG  A 300 (-2.4A)
 0.00A 3bwmA-3bwmA:
43.7		 3bwmA-3bwmA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cvo METHYLTRANSFERASE-LI
KE PROTEIN OF
UNKNOWN FUNCTION

(Ruegeria
pomeroyi) 		no annotation 3 SER A  41
GLU A  57
ASP A 128
 None
 0.22A 3bwmA-3cvoA:
13.3		 3bwmA-3cvoA:
22.22
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.
3d45 POLY(A)-SPECIFIC
RIBONUCLEASE PARN

(Mus musculus) 		PF01424
(R3H)
PF04857
(CAF1)
PF08675
(RNA_bind) 		3 SER A 385
GLU A 345
ASP A 349
 None
 0.85A 3bwmA-3d45A:
undetectable		 3bwmA-3d45A:
17.09
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.
3dms ISOCITRATE
DEHYDROGENASE [NADP]

(Burkholderia
pseudomallei) 		PF00180
(Iso_dh) 		3 SER A 312
GLU A 338
ASP A 309
 None
 0.87A 3bwmA-3dmsA:
undetectable		 3bwmA-3dmsA:
20.42
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.
3eeq PUTATIVE COBALAMIN
BIOSYNTHESIS PROTEIN
G HOMOLOG

(Sulfolobus
solfataricus) 		PF01890
(CbiG_C)
PF11760
(CbiG_N) 		3 SER A 222
GLU A 229
ASP A 225
 None
 0.79A 3bwmA-3eeqA:
3.7		 3bwmA-3eeqA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egc PUTATIVE RIBOSE
OPERON REPRESSOR

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		3 SER A 279
GLU A 258
ASP A 281
 None
 0.83A 3bwmA-3egcA:
4.9		 3bwmA-3egcA:
23.08
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.
3h2x TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 22

(Homo sapiens) 		PF00102
(Y_phosphatase) 		3 SER A 201
GLU A 280
ASP A 197
 None
 0.68A 3bwmA-3h2xA:
undetectable		 3bwmA-3h2xA:
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.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		3 SER A 211
GLU A 289
ASP A 284
 None
 0.77A 3bwmA-3iv0A:
undetectable		 3bwmA-3iv0A:
16.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3le1 PHOSPHOTRANSFERASE
SYSTEM, HPR-RELATED
PROTEINS

(Caldanaerobacter
subterraneus) 		PF00381
(PTS-HPr) 		3 SER A  31
GLU A  72
ASP A  68
 None
 0.66A 3bwmA-3le1A:
undetectable		 3bwmA-3le1A:
15.94
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.
3lqz HLA CLASS II
HISTOCOMPATIBILITY
ANTIGEN, DP ALPHA 1
CHAIN

(Homo sapiens) 		PF00993
(MHC_II_alpha)
PF07654
(C1-set) 		3 SER A 144
GLU A  88
ASP A  85
 None
 0.84A 3bwmA-3lqzA:
undetectable		 3bwmA-3lqzA:
21.27
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.
3mc2 INHIBITOR OF
CARBONIC ANHYDRASE

(Mus musculus) 		PF00405
(Transferrin) 		3 SER A 626
GLU A 551
ASP A 630
 None
 0.85A 3bwmA-3mc2A:
undetectable		 3bwmA-3mc2A:
16.49
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.
3oa2 WBPB

(Pseudomonas
aeruginosa) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		3 SER A 178
GLU A 210
ASP A 174
 None
 0.83A 3bwmA-3oa2A:
5.0		 3bwmA-3oa2A:
22.15
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.
3p9u TETX2 PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01494
(FAD_binding_3) 		3 SER A  15
GLU A 347
ASP A 162
 None
 0.81A 3bwmA-3p9uA:
3.3		 3bwmA-3p9uA:
21.95
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.
3pgb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aspergillus
nidulans) 		PF01179
(Cu_amine_oxid)
PF09248
(DUF1965) 		3 SER A 270
GLU A 334
ASP A 265
 None
 0.73A 3bwmA-3pgbA:
undetectable		 3bwmA-3pgbA:
14.30
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.
3rst SIGNAL PEPTIDE
PEPTIDASE SPPA

(Bacillus
subtilis) 		PF01343
(Peptidase_S49) 		3 SER A 205
GLU A 191
ASP A 200
 None
 0.82A 3bwmA-3rstA:
undetectable		 3bwmA-3rstA:
20.62
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.
3tmg GLYCINE BETAINE,
L-PROLINE ABC
TRANSPORTER,
GLYCINE/BETAINE/L-PR
OLINE-BINDING
PROTEIN (PROX)

(Borreliella
burgdorferi) 		PF04069
(OpuAC) 		3 SER A  81
GLU A  92
ASP A 100
 None
 0.80A 3bwmA-3tmgA:
undetectable		 3bwmA-3tmgA:
24.21
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.
3us8 ISOCITRATE
DEHYDROGENASE [NADP]

(Sinorhizobium
meliloti) 		PF00180
(Iso_dh) 		3 SER A 276
GLU A 304
ASP A 273
 None
 0.73A 3bwmA-3us8A:
undetectable		 3bwmA-3us8A:
19.29
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.
3w5f BETA-GALACTOSIDASE

(Solanum
lycopersicum) 		PF01301
(Glyco_hydro_35) 		3 SER A 542
GLU A 456
ASP A 463
 None
 0.87A 3bwmA-3w5fA:
undetectable		 3bwmA-3w5fA:
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.
3wcy INTERFERON
ALPHA/BETA RECEPTOR
1

(Mus musculus) 		PF01108
(Tissue_fac)
PF09294
(Interfer-bind) 		3 SER A 245
GLU A 106
ASP A 126
 None
 0.87A 3bwmA-3wcyA:
undetectable		 3bwmA-3wcyA:
19.70
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.
3x1l CMR4

(Archaeoglobus
fulgidus) 		PF03787
(RAMPs) 		3 SER C  15
GLU C 260
ASP C 288
 None
 0.73A 3bwmA-3x1lC:
undetectable		 3bwmA-3x1lC:
20.39
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.
3zxn ANTI-SIGMA-FACTOR
ANTAGONIST (STAS)
DOMAIN PROTEIN

(Moorella
thermoacetica) 		PF01740
(STAS) 		3 SER A  26
GLU A  20
ASP A  24
 None
 0.86A 3bwmA-3zxnA:
2.2		 3bwmA-3zxnA:
22.71
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.
4a0l CULLIN-4B

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		3 SER E 282
GLU E 355
ASP E 348
 None
 0.87A 3bwmA-4a0lE:
undetectable		 3bwmA-4a0lE:
15.56
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.
4ag4 EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		3 SER A  54
GLU A 113
ASP A  70
 None
 0.82A 3bwmA-4ag4A:
undetectable		 3bwmA-4ag4A:
21.05
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.
4aov ISOCITRATE
DEHYDROGENASE [NADP]

(Desulfotalea
psychrophila) 		PF00180
(Iso_dh) 		3 SER A 275
GLU A 302
ASP A 272
 None
ICT  A1404 ( 4.3A)
MG  A1405 ( 2.8A)
 0.75A 3bwmA-4aovA:
undetectable		 3bwmA-4aovA:
20.30
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.
4bl3 PENICILLIN BINDING
PROTEIN 2 PRIME

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF05223
(MecA_N) 		3 SER A 476
GLU A 523
ASP A 509
 None
 0.80A 3bwmA-4bl3A:
undetectable		 3bwmA-4bl3A:
15.70
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.
4blu RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Escherichia
coli) 		PF04378
(RsmJ) 		3 SER A 100
GLU A 118
ASP A 164
 None
None
TRS  A1281 ( 3.0A)
 0.79A 3bwmA-4bluA:
11.9		 3bwmA-4bluA:
22.60
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.
4ds2 UBIQUITIN-CONJUGATIN
G ENZYME E2,
PUTATIVE

(Trypanosoma
cruzi) 		PF00179
(UQ_con) 		3 SER A 117
GLU A  18
ASP A  12
 None
 0.78A 3bwmA-4ds2A:
undetectable		 3bwmA-4ds2A:
25.21
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.
4eys MCCC FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF02016
(Peptidase_S66) 		3 SER A 212
GLU A 252
ASP A 110
 ACT  A 402 (-3.2A)
AMP  A 401 (-3.1A)
ACT  A 402 (-4.9A)
 0.87A 3bwmA-4eysA:
undetectable		 3bwmA-4eysA:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fx5 VON WILLEBRAND
FACTOR TYPE A

(Catenulispora
acidiphila) 		PF13768
(VWA_3) 		3 SER A  65
GLU A 168
ASP A 196
 NA  A 501 (-2.2A)
None
None
 0.73A 3bwmA-4fx5A:
undetectable		 3bwmA-4fx5A:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h0p ACETATE KINASE

(Cryptococcus
neoformans) 		PF00871
(Acetate_kinase) 		3 SER A 198
GLU A 364
ASP A 415
 None
 0.84A 3bwmA-4h0pA:
undetectable		 3bwmA-4h0pA:
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.
4hum PROTEIN B

(Escherichia
coli) 		PF00041
(fn3) 		3 SER B  55
GLU B   9
ASP B  23
 None
 0.69A 3bwmA-4humB:
undetectable		 3bwmA-4humB:
17.77
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.
4idi ORYZA SATIVA
RURM1-RELATED

(Plasmodium
yoelii) 		PF09138
(Urm1) 		3 SER A  55
GLU A  37
ASP A  58
 None
 0.87A 3bwmA-4idiA:
undetectable		 3bwmA-4idiA:
18.70
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.
4ihc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Dickeya
paradisiaca) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 SER A 272
GLU A 352
ASP A 250
 None
FMT  A 503 (-3.2A)
MG  A 501 ( 4.8A)
 0.72A 3bwmA-4ihcA:
undetectable		 3bwmA-4ihcA:
20.55
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.
4j0k TANNASE

(Lactobacillus
plantarum) 		no annotation 3 SER A 163
GLU A 357
ASP A 421
 EGR  A 501 (-2.6A)
EGR  A 501 (-2.9A)
EGR  A 501 (-3.5A)
 0.86A 3bwmA-4j0kA:
2.5		 3bwmA-4j0kA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4je5 AROMATIC/AMINOADIPAT
E AMINOTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		3 SER A 169
GLU A 162
ASP A 248
 None
None
PLP  A 601 (-2.8A)
 0.87A 3bwmA-4je5A:
4.9		 3bwmA-4je5A:
16.87
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.
4kr8 OUTER MEMBRANE
PROTEIN F

(Salmonella
enterica) 		PF00267
(Porin_1) 		3 SER A  73
GLU A  69
ASP A  64
 None
 0.87A 3bwmA-4kr8A:
undetectable		 3bwmA-4kr8A:
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.
4kwb SIGNAL PEPTIDE
PEPTIDASE SPPA

(Bacillus
subtilis) 		PF01343
(Peptidase_S49) 		3 SER A 205
GLU A 191
ASP A 200
 None
 0.84A 3bwmA-4kwbA:
undetectable		 3bwmA-4kwbA:
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.
4n4r LPS-ASSEMBLY PROTEIN
LPTD

(Salmonella
enterica) 		PF04453
(OstA_C) 		3 SER A 692
GLU A 773
ASP A 651
 None
 0.60A 3bwmA-4n4rA:
undetectable		 3bwmA-4n4rA:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oh1 L-IDITOL
2-DEHYDROGENASE

([Clostridium]
scindens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 SER A 224
GLU A 246
ASP A 204
 None
 0.87A 3bwmA-4oh1A:
3.9		 3bwmA-4oh1A:
18.72
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.
4p47 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ochrobactrum
anthropi) 		PF03480
(DctP) 		3 SER A 177
GLU A 212
ASP A 109
 None
 0.77A 3bwmA-4p47A:
undetectable		 3bwmA-4p47A:
19.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		3 SER A 115
GLU A 133
ASP A 184
 None
2F6  A 301 (-2.7A)
None
 0.83A 3bwmA-4p58A:
33.6		 3bwmA-4p58A:
81.60
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.
4pav GLYOXALASE FAMILY
PROTEIN

(Staphylococcus
aureus) 		PF00903
(Glyoxalase) 		3 SER A  17
GLU A  52
ASP A 116
 None
 0.87A 3bwmA-4pavA:
undetectable		 3bwmA-4pavA:
19.63
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.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		3 SER A  70
GLU A  88
ASP A 136
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.6A)
MN  A 303 ( 2.7A)
 0.13A 3bwmA-4pclA:
22.8		 3bwmA-4pclA:
24.05
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.
4qnl TAIL FIBER PROTEIN

(Escherichia
virus G7C) 		no annotation 3 SER A 569
GLU A 704
ASP A 669
 None
 0.72A 3bwmA-4qnlA:
2.8		 3bwmA-4qnlA:
13.03
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.
4uek GALACTITOL-1-PHOSPHA
TE 5-DEHYDROGENASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 SER A 212
GLU A 235
ASP A 192
 None
 0.86A 3bwmA-4uekA:
6.6		 3bwmA-4uekA:
19.71
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.
4xeq TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Desulfovibrio
vulgaris) 		PF03480
(DctP) 		3 SER A 185
GLU A 219
ASP A 117
 None
 0.72A 3bwmA-4xeqA:
2.1		 3bwmA-4xeqA:
20.66
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.
4xk8 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pisum sativum) 		PF02605
(PsaL) 		3 SER L 109
GLU L 122
ASP L 124
 None
 0.84A 3bwmA-4xk8L:
undetectable		 3bwmA-4xk8L:
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.
4y1p 3-ISOPROPYLMALATE
DEHYDROGENASE

(Sulfolobus
acidocaldarius) 		PF00180
(Iso_dh) 		3 SER A 228
GLU A 254
ASP A 225
 None
IPM  A 402 ( 4.5A)
MG  A 401 ( 2.7A)
 0.61A 3bwmA-4y1pA:
undetectable		 3bwmA-4y1pA:
20.30
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.
4yj1 UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09818
(ABC_ATPase) 		3 SER A 320
GLU A 556
ASP A 411
 ADP  A 701 ( 2.4A)
None
MG  A 702 ( 4.2A)
 0.79A 3bwmA-4yj1A:
undetectable		 3bwmA-4yj1A:
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.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		3 SER A  79
GLU A  98
ASP A 144
 SAM  A1001 (-2.7A)
SAM  A1001 (-2.7A)
SAM  A1001 (-3.6A)
 0.14A 3bwmA-4ymgA:
20.9		 3bwmA-4ymgA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zht BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE

(Homo sapiens) 		PF02350
(Epimerase_2) 		3 SER A 229
GLU A  81
ASP A 225
 None
 0.75A 3bwmA-4zhtA:
2.5		 3bwmA-4zhtA:
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		3 SER A1323
GLU A 995
ASP A 987
 None
 0.67A 3bwmA-5a22A:
11.1		 3bwmA-5a22A:
7.99
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.
5aoy ENDONUCLEASE V

(Mus musculus) 		PF04493
(Endonuclease_5) 		3 SER A 243
GLU A 100
ASP A 126
 None
 0.80A 3bwmA-5aoyA:
undetectable		 3bwmA-5aoyA:
23.28
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.
5emw TRANSCRIPTIONAL
ENHANCER FACTOR
TEF-5

(Homo sapiens) 		no annotation 3 SER A 326
GLU A 410
ASP A 328
 None
 0.85A 3bwmA-5emwA:
undetectable		 3bwmA-5emwA:
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.
5ft1 GP37

(Pseudomonas
virus phiKZ) 		no annotation 3 SER A 212
GLU A 222
ASP A 137
 None
 0.84A 3bwmA-5ft1A:
undetectable		 3bwmA-5ft1A:
19.50
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.
5gt5 PECTATE LYASE

(Paenibacillus
sp. 0602) 		no annotation 3 SER A 122
GLU A 157
ASP A  97
 None
 0.80A 3bwmA-5gt5A:
undetectable		 3bwmA-5gt5A:
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		3 SER b 389
GLU b  87
ASP b  90
 None
 0.87A 3bwmA-5gw5b:
undetectable		 3bwmA-5gw5b:
17.08
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.
5hn4 HOMOISOCITRATE
DEHYDROGENASE

(Thermococcus
kodakarensis) 		PF00180
(Iso_dh) 		3 SER A 221
GLU A 247
ASP A 218
 None
48Y  A 401 ( 4.6A)
MN  A 402 ( 2.5A)
 0.60A 3bwmA-5hn4A:
undetectable		 3bwmA-5hn4A:
21.71
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.
5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		3 SER A 561
GLU A 550
ASP A 638
 None
 0.84A 3bwmA-5ikpA:
undetectable		 3bwmA-5ikpA:
12.63
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.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		3 SER A 684
GLU A  58
ASP A 688
 None
NAG  A 901 (-4.9A)
None
 0.81A 3bwmA-5ju6A:
3.2		 3bwmA-5ju6A:
13.54
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.
5k5t EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR

(Homo sapiens) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		3 SER A 591
GLU A 567
ASP A 570
 None
 0.78A 3bwmA-5k5tA:
4.5		 3bwmA-5k5tA:
16.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		3 SER A  71
GLU A  89
ASP A 139
 SAM  A 306 (-2.2A)
SAM  A 306 (-2.4A)
SAM  A 306 (-2.3A)
 0.19A 3bwmA-5n5dA:
22.8		 3bwmA-5n5dA:
30.67
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.
5oar BETA-HEXOSAMINIDASE

(Aspergillus
oryzae) 		no annotation 3 SER B 274
GLU B 307
ASP B 345
 None
NGT  B 707 (-3.7A)
NGT  B 707 (-3.9A)
 0.81A 3bwmA-5oarB:
undetectable		 3bwmA-5oarB:
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.
5uq6 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Sus scrofa) 		PF00149
(Metallophos) 		3 SER A  76
GLU A  28
ASP A  73
 None
 0.85A 3bwmA-5uq6A:
undetectable		 3bwmA-5uq6A:
24.04
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.
5wpn FERRITIN

(Chaetopterus
variopedatus) 		no annotation 3 SER A  33
GLU A  86
ASP A  88
 None
 0.82A 3bwmA-5wpnA:
undetectable		 3bwmA-5wpnA:
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.
5xhm FERRITIN, MIDDLE
SUBUNIT

(Rana
catesbeiana) 		PF00210
(Ferritin) 		3 SER A  32
GLU A  85
ASP A  87
 None
None
CL  A 213 (-4.9A)
 0.86A 3bwmA-5xhmA:
undetectable		 3bwmA-5xhmA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xwy A TYPE VI-A
CRISPR-CAS
RNA-GUIDED RNA
RIBONUCLEASE, CAS13A

(Leptotrichia
buccalis) 		no annotation 3 SER A 265
GLU A 297
ASP A 236
 None
A  B  12 ( 2.6A)
U  B  16 ( 3.8A)
 0.67A 3bwmA-5xwyA:
undetectable		 3bwmA-5xwyA:
9.76
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 3 SER A 587
GLU A 610
ASP A 602
 None
 0.80A 3bwmA-5ydjA:
undetectable		 3bwmA-5ydjA:
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 3 SER A  68
GLU A  85
ASP A 133
 SAM  A 302 (-2.7A)
SAM  A 302 (-2.7A)
SAM  A 302 (-3.6A)
 0.19A 3bwmA-5zw4A:
22.7		 3bwmA-5zw4A:
29.88
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.
6bk8 PRE-MRNA-SPLICING
FACTOR SYF1

(Saccharomyces
cerevisiae) 		no annotation 3 SER U 783
GLU U 743
ASP U 750
 None
 0.61A 3bwmA-6bk8U:
undetectable		 3bwmA-6bk8U:
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.
6c0e ISOCITRATE
DEHYDROGENASE

(Legionella
pneumophila) 		no annotation 3 SER A 316
GLU A 342
ASP A 313
 None
EE1  A 501 (-3.4A)
EE1  A 501 (-3.4A)
 0.84A 3bwmA-6c0eA:
2.5		 3bwmA-6c0eA:
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.
6em0 2-HYDROXYBIPHENYL-3-
MONOOXYGENASE

(Pseudomonas
nitroreducens) 		no annotation 3 SER A 329
GLU A 124
ASP A 313
 FAD  A 601 ( 3.8A)
FAD  A 601 ( 4.8A)
FAD  A 601 (-3.1A)
 0.74A 3bwmA-6em0A:
3.8		 3bwmA-6em0A:
undetectable