SIMILAR PATTERNS OF AMINO ACIDS FOR 4XUD_A_SAMA303

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.
1azw PROLINE
IMINOPEPTIDASE

(Xanthomonas
citri) 		PF00561
(Abhydrolase_1) 		5 VAL A 268
GLU A 230
GLY A  43
ILE A 229
SER A  71
 None
 1.44A 4xudA-1azwA:
2.9		 4xudA-1azwA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d3y DNA TOPOISOMERASE VI
A SUBUNIT

(Methanocaldococcus
jannaschii) 		PF04406
(TP6A_N) 		5 VAL A 286
GLU A 197
TYR A 259
TYR A 255
SER A 146
 None
MG  A 371 (-2.5A)
None
None
None
 1.31A 4xudA-1d3yA:
undetectable		 4xudA-1d3yA:
22.55
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.
1dxl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pisum sativum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLU A  36
GLY A  13
TYR A  19
ILE A  12
ILE A 144
 FAD  A 480 (-3.6A)
FAD  A 480 ( 3.8A)
None
None
None
 1.48A 4xudA-1dxlA:
4.1		 4xudA-1dxlA:
18.53
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.
1f0x D-LACTATE
DEHYDROGENASE

(Escherichia
coli) 		PF01565
(FAD_binding_4)
PF09330
(Lact-deh-memb) 		5 VAL A 494
GLU A 308
GLY A 307
TYR A 309
ILE A 281
 None
 1.34A 4xudA-1f0xA:
undetectable		 4xudA-1f0xA:
18.67
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.
1hkw DIAMINOPIMELATE
DECARBOXYLASE

(Mycobacterium
tuberculosis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 VAL A  67
GLY A 256
ILE A 214
GLN A 181
HIS A 213
 None
 1.25A 4xudA-1hkwA:
undetectable		 4xudA-1hkwA:
18.02
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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		5 VAL A 340
TYR A 337
ILE A 304
ILE A 634
SER A 301
 None
ACR  A 700 (-4.3A)
None
None
None
 1.22A 4xudA-1lf9A:
undetectable		 4xudA-1lf9A:
15.69
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.
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
 1.37A 4xudA-1m1jB:
undetectable		 4xudA-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.
1spp MAJOR SEMINAL PLASMA
GLYCOPROTEIN PSP-II

(Sus scrofa) 		PF00431
(CUB) 		5 GLY B   5
TYR B  92
ILE B   3
ILE B 105
SER B  19
 None
 1.41A 4xudA-1sppB:
undetectable		 4xudA-1sppB:
20.36
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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		5 GLU A  85
GLY A  87
TYR A  89
TYR A  92
ILE A  86
 SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
None
 1.38A 4xudA-1susA:
20.8		 4xudA-1susA:
24.51
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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		6 MET A  61
GLU A  85
GLY A  87
TYR A  89
TYR A  92
ILE A 112
 SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
SAH  A 301 (-4.0A)
 0.78A 4xudA-1susA:
20.8		 4xudA-1susA:
24.51
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.
1ti8 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 MET A 266
GLU A 278
GLY A 279
ILE A 289
ILE A 288
 None
 1.26A 4xudA-1ti8A:
undetectable		 4xudA-1ti8A:
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		5 MET A 481
GLY A 527
TYR A 494
TYR A 493
GLN A 336
 None
 1.19A 4xudA-1ulvA:
undetectable		 4xudA-1ulvA:
11.82
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.
1urx BETA-AGARASE A

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		5 VAL A 283
GLU A 123
GLY A 206
TYR A 208
ILE A 219
 None
 1.25A 4xudA-1urxA:
undetectable		 4xudA-1urxA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vbf 231AA LONG
HYPOTHETICAL
PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF01135
(PCMT) 		5 GLU A  76
GLY A  78
TYR A  83
ILE A  77
ILE A 100
 None
 1.45A 4xudA-1vbfA:
8.9		 4xudA-1vbfA:
22.43
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.
1w6s METHANOL
DEHYDROGENASE
SUBUNIT 1

(Methylobacterium
extorquens) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 VAL A  15
TYR A 113
ILE A 170
ILE A 160
TRP A 245
 None
 1.41A 4xudA-1w6sA:
undetectable		 4xudA-1w6sA:
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.
1xfk FORMIMIDOYLGLUTAMASE

(Vibrio cholerae) 		PF00491
(Arginase) 		5 GLY A 152
TYR A 248
ILE A 154
ILE A 243
HIS A 195
 None
 1.18A 4xudA-1xfkA:
4.1		 4xudA-1xfkA:
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.
1zbm HYPOTHETICAL PROTEIN
AF1704

(Archaeoglobus
fulgidus) 		PF02621
(VitK2_biosynth) 		5 GLY A 175
TYR A 232
TYR A 236
ILE A  55
ILE A  38
 None
 1.26A 4xudA-1zbmA:
undetectable		 4xudA-1zbmA:
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.
1zrt CYTOCHROME B

(Rhodobacter
capsulatus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 GLY C 115
TYR C 117
ILE C 112
ILE C 110
HIS C 111
 None
None
HEM  C 502 (-3.5A)
None
HEM  C 502 (-3.1A)
 1.39A 4xudA-1zrtC:
undetectable		 4xudA-1zrtC:
20.27
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.
2dbo D-TYROSYL-TRNA(TYR)
DEACYLASE

(Aquifex
aeolicus) 		PF02580
(Tyr_Deacylase) 		5 GLU A  25
GLY A  26
TYR A  64
ILE A  23
SER A  11
 None
 1.45A 4xudA-2dboA:
undetectable		 4xudA-2dboA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h1y MALONYL COENZYME
A-ACYL CARRIER
PROTEIN TRANSACYLASE

(Helicobacter
pylori) 		PF00698
(Acyl_transf_1) 		5 VAL A  96
GLY A   9
TYR A  65
GLN A 163
HIS A  91
 None
 1.21A 4xudA-2h1yA:
undetectable		 4xudA-2h1yA:
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.
2iyo 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING

(Lactococcus
lactis) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 GLU A 191
GLY A 189
ILE A 190
SER A 334
GLN A 337
 6PG  A1471 (-2.7A)
None
None
None
None
 1.33A 4xudA-2iyoA:
6.8		 4xudA-2iyoA:
19.11
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.
2lm3 TRIPARTITE
MOTIF-CONTAINING
PROTEIN 5

(Macaca mulatta) 		PF00622
(SPRY) 		5 VAL A 352
GLY A 378
ILE A 406
GLN A 418
TRP A 404
 None
 1.45A 4xudA-2lm3A:
undetectable		 4xudA-2lm3A:
21.29
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.
2ozo TYROSINE-PROTEIN
KINASE ZAP-70

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		5 VAL A 604
GLU A  82
GLY A  79
ILE A  61
HIS A  77
 None
 1.42A 4xudA-2ozoA:
undetectable		 4xudA-2ozoA:
16.37
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.
2rhp THROMBOSPONDIN-2

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3) 		5 GLU A 795
GLY A 796
TYR A 781
ILE A 803
ILE A 788
 None
CA  A  16 ( 4.7A)
None
None
None
 1.48A 4xudA-2rhpA:
undetectable		 4xudA-2rhpA:
16.75
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.
2w01 ADENYLATE CYCLASE

(Synechocystis
sp. PCC 6803) 		PF00211
(Guanylate_cyc) 		5 MET A 518
GLU A 575
GLY A 542
ILE A 574
ILE A 585
 None
 1.49A 4xudA-2w01A:
undetectable		 4xudA-2w01A:
22.18
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.
2xyb LACCASE

(Trametes
cinnabarina) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 MET A 311
GLU A 440
ILE A 380
ILE A 437
HIS A 402
 None
None
None
None
ZN  A 710 ( 3.2A)
 1.49A 4xudA-2xybA:
undetectable		 4xudA-2xybA:
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.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 VAL A 423
GLU A 431
GLY A 867
ILE A 871
SER A 870
 None
K  A1947 (-4.5A)
None
None
None
 1.46A 4xudA-2yd0A:
undetectable		 4xudA-2yd0A:
13.87
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.
2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Bifidobacterium
longum) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 GLY A 525
TYR A 514
ILE A 517
SER A 518
TRP A 610
 None
 1.36A 4xudA-2zxqA:
undetectable		 4xudA-2zxqA:
11.30
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.
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
 1.29A 4xudA-3bvhB:
undetectable		 4xudA-3bvhB:
19.73
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
VAL A  42
GLU A  64
GLY A  66
TYR A  68
TYR A  71
ILE A  89
ILE A  91
SER A 119
GLN A 120
HIS A 142
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
 0.32A 4xudA-3bwmA:
40.6		 4xudA-3bwmA:
100.00
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) 		5 VAL A  50
GLU A  64
ILE A  89
SER A 119
GLN A 120
 None
SAM  A 301 ( 4.1A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
 1.38A 4xudA-3bwmA:
40.6		 4xudA-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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		5 MET A  52
GLU A  76
GLY A  78
TYR A  83
ILE A 101
 SAH  A 464 (-3.9A)
SAH  A 464 ( 4.2A)
SAH  A 464 (-3.7A)
None
None
 0.60A 4xudA-3c3yA:
21.6		 4xudA-3c3yA:
23.40
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.
3c4a PROBABLE TRYPTOPHAN
HYDROXYLASE VIOD

(Chromobacterium
violaceum) 		no annotation 5 VAL A 141
GLY A 274
ILE A 278
SER A 327
HIS A 275
 None
 1.34A 4xudA-3c4aA:
2.9		 4xudA-3c4aA:
21.02
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.
3cih PUTATIVE
ALPHA-RHAMNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		5 GLU A 687
GLY A 688
ILE A 719
SER A 721
TRP A 718
 None
 1.30A 4xudA-3cihA:
undetectable		 4xudA-3cihA:
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.
3doh ESTERASE

(Thermotoga
maritima) 		PF02230
(Abhydrolase_2) 		5 VAL A 192
GLY A 284
TYR A 281
SER A 286
TRP A 242
 None
None
None
SO4  A 400 (-2.5A)
None
 1.50A 4xudA-3dohA:
3.0		 4xudA-3dohA:
19.53
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.
3dty OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Pseudomonas
syringae group
genomosp. 3) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLY A 146
ILE A 150
GLN A 271
HIS A 147
TRP A 333
 None
 1.47A 4xudA-3dtyA:
4.7		 4xudA-3dtyA:
20.60
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.
3dzb PREPHENATE
DEHYDROGENASE

(Streptococcus
thermophilus) 		PF02153
(PDH) 		5 VAL A 105
GLY A  98
ILE A  14
SER A 296
HIS A 123
 None
 1.46A 4xudA-3dzbA:
5.8		 4xudA-3dzbA:
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.
3h0u PUTATIVE ENOYL-COA
HYDRATASE

(Streptomyces
avermitilis) 		PF00378
(ECH_1) 		5 VAL A 173
GLU A 124
GLY A 155
GLN A 105
HIS A 159
 None
 1.40A 4xudA-3h0uA:
undetectable		 4xudA-3h0uA:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ht4 ALUMINUM RESISTANCE
PROTEIN

(Bacillus cereus) 		PF06838
(Met_gamma_lyase) 		5 VAL A  85
GLY A  66
ILE A  55
SER A  52
HIS A  53
 None
 1.27A 4xudA-3ht4A:
3.7		 4xudA-3ht4A:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ju7 PUTATIVE
PLP-DEPENDENT
AMINOTRANSFERASE

(Bacillus cereus) 		PF01041
(DegT_DnrJ_EryC1) 		5 MET A 234
GLY A 195
TYR A 237
GLN A 288
HIS A 187
 None
None
None
PEG  A 384 (-3.5A)
LLP  A 190 (-4.2A)
 1.38A 4xudA-3ju7A:
2.8		 4xudA-3ju7A:
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.
3juj UDP-GLUCOSE
PYROPHOSPHORYLASE
(GALU)

(Helicobacter
pylori) 		PF00483
(NTP_transferase) 		5 GLU A 227
GLY A 107
ILE A 228
ILE A 112
HIS A 110
 None
 1.10A 4xudA-3jujA:
undetectable		 4xudA-3jujA:
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.
3mbr GLUTAMINE
CYCLOTRANSFERASE

(Xanthomonas
campestris) 		PF05096
(Glu_cyclase_2) 		5 VAL X 179
TYR X 139
ILE X  91
ILE X  99
TRP X  94
 None
 1.03A 4xudA-3mbrX:
undetectable		 4xudA-3mbrX:
21.07
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.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		5 VAL A  55
GLU A  77
GLY A  79
TYR A  84
GLN A 154
 SO4  A 233 (-4.2A)
SO4  A 233 (-4.0A)
None
SO4  A 233 (-4.9A)
None
 1.17A 4xudA-3ntvA:
21.0		 4xudA-3ntvA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		5 VAL A  55
GLU A  77
GLY A  79
TYR A  84
ILE A 101
 SO4  A 233 (-4.2A)
SO4  A 233 (-4.0A)
None
SO4  A 233 (-4.9A)
None
 0.28A 4xudA-3ntvA:
21.0		 4xudA-3ntvA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oyz MALATE SYNTHASE

(Haloferax
volcanii) 		PF03328
(HpcH_HpaI) 		5 GLU A 190
GLY A 189
TYR A 232
ILE A 157
SER A 159
 None
PYR  A 435 (-3.2A)
None
None
None
 1.45A 4xudA-3oyzA:
undetectable		 4xudA-3oyzA:
19.72
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
 1.39A 4xudA-3ss6A:
undetectable		 4xudA-3ss6A:
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.
3th6 TRIOSEPHOSPHATE
ISOMERASE

(Rhipicephalus
microplus) 		PF00121
(TIM) 		5 GLU A 111
GLY A 110
ILE A 109
ILE A 150
HIS A 149
 None
 1.33A 4xudA-3th6A:
undetectable		 4xudA-3th6A:
23.62
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.
3tqs RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Coxiella
burnetii) 		PF00398
(RrnaAD) 		5 VAL A  25
GLU A  38
GLY A 105
TYR A  49
ILE A  39
 None
 1.36A 4xudA-3tqsA:
13.4		 4xudA-3tqsA:
22.76
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.
3uxf FIMBRIAL SUBUNIT
TYPE 1

(Actinomyces
oris) 		no annotation 5 GLY A 322
TYR A 206
ILE A 347
ILE A 324
TRP A 333
 None
 1.31A 4xudA-3uxfA:
undetectable		 4xudA-3uxfA:
19.91
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.
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 4xudA-3v9eA:
undetectable		 4xudA-3v9eA:
14.63
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		5 GLU A  65
GLY A  64
TYR A 198
ILE A  59
HIS A  60
 None
 1.29A 4xudA-3vywA:
11.6		 4xudA-3vywA:
25.24
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.
3zhe PROTEIN SMG-7

(Caenorhabditis
elegans) 		PF10373
(EST1_DNA_bind) 		5 VAL B 244
GLU B 251
GLY B 250
ILE B 260
SER B 256
 None
 1.37A 4xudA-3zheB:
undetectable		 4xudA-3zheB:
20.51
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.
3zx1 OXIDOREDUCTASE,
PUTATIVE

(Campylobacter
jejuni) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 MET A 335
VAL A 337
GLU A 242
GLY A 240
SER A 188
 None
 1.08A 4xudA-3zx1A:
undetectable		 4xudA-3zx1A:
18.14
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.
4aov ISOCITRATE
DEHYDROGENASE [NADP]

(Desulfotalea
psychrophila) 		PF00180
(Iso_dh) 		5 MET A 255
GLU A 242
ILE A 241
ILE A 202
SER A 197
 None
 1.31A 4xudA-4aovA:
undetectable		 4xudA-4aovA:
20.15
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 VAL A 369
GLU A 336
GLY A 585
TYR A 361
GLN A 588
 None
 1.32A 4xudA-4c30A:
3.0		 4xudA-4c30A:
17.74
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.
4cxo ENDONUCLEASE 2

(Arabidopsis
thaliana) 		PF02265
(S1-P1_nuclease) 		5 GLY A 213
TYR A 209
ILE A 214
ILE A  60
SER A 132
 None
 1.09A 4xudA-4cxoA:
undetectable		 4xudA-4cxoA:
21.74
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.
4f4o HAPTOGLOBIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 GLY C 314
TYR C 213
ILE C 315
SER C 298
GLN C 117
 None
 1.46A 4xudA-4f4oC:
undetectable		 4xudA-4f4oC:
21.23
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.
4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE

(Cupriavidus
pinatubonensis) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		5 GLY A 366
TYR A 370
ILE A 362
ILE A 341
SER A 344
 None
 1.38A 4xudA-4g5eA:
undetectable		 4xudA-4g5eA:
17.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i6n UBIQUITIN
CARBOXYL-HYDROLASE

(Trichinella
spiralis) 		PF01088
(Peptidase_C12) 		5 VAL A 168
GLY A  48
TYR A 173
GLN A 225
HIS A  47
 None
 1.33A 4xudA-4i6nA:
undetectable		 4xudA-4i6nA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.27A 4xudA-4ig7A:
undetectable		 4xudA-4ig7A:
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.
4lkr PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		5 MET A  45
VAL A  42
GLU A  75
ILE A  77
ILE A  85
 None
 1.49A 4xudA-4lkrA:
undetectable		 4xudA-4lkrA:
22.47
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.
4o1s V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Thermoplasma
volcanium) 		PF14890
(Intein_splicing) 		5 VAL A 122
TYR A  55
TYR A  57
ILE A  22
ILE A  20
 None
None
SO4  A 203 (-4.3A)
None
None
 1.43A 4xudA-4o1sA:
undetectable		 4xudA-4o1sA:
21.08
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.
4o29 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrobaculum
aerophilum) 		PF01135
(PCMT) 		5 GLU A  78
GLY A  80
TYR A  85
ILE A 103
ILE A 105
 SAH  A 500 (-4.3A)
SAH  A 500 (-3.1A)
None
None
SAH  A 500 (-3.7A)
 0.60A 4xudA-4o29A:
11.3		 4xudA-4o29A:
21.10
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 GLU A 107
GLY A 109
TYR A 114
ILE A 134
SER A 162
GLN A 163
HIS A 185
 None
2F6  A 301 (-3.6A)
None
2F6  A 301 (-3.7A)
2F6  A 301 (-3.2A)
2F6  A 301 (-3.8A)
None
 0.35A 4xudA-4p58A:
33.2		 4xudA-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 GLU A 107
GLY A 109
TYR A 138
SER A 162
HIS A 185
 None
2F6  A 301 (-3.6A)
None
2F6  A 301 (-3.2A)
None
 1.10A 4xudA-4p58A:
33.2		 4xudA-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.
4pka PATATIN-17

(Solanum
cardiophyllum) 		PF01734
(Patatin) 		5 GLY X  80
TYR X 185
ILE X  34
ILE X  73
SER X  33
 MIS  X  77 ( 3.2A)
None
None
None
None
 1.30A 4xudA-4pkaX:
undetectable		 4xudA-4pkaX:
19.73
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.
4qiq D-XYLOSE-PROTON
SYMPORTER

(Escherichia
coli) 		PF00083
(Sugar_tr) 		5 VAL A  30
GLY A 137
ILE A 138
ILE A  69
TRP A 416
 None
 1.28A 4xudA-4qiqA:
undetectable		 4xudA-4qiqA:
17.86
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.
4rxe FARNESYL
PYROPHOSPHATE
SYNTHASE

(Trypanosoma
brucei) 		PF00348
(polyprenyl_synt) 		5 VAL A 126
GLU A 102
GLY A 133
TYR A 119
SER A 138
 None
 1.31A 4xudA-4rxeA:
undetectable		 4xudA-4rxeA:
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.
4wgx MOLINATE HYDROLASE

(Gulosibacter
molinativorax) 		PF01979
(Amidohydro_1) 		5 VAL A  94
GLY A 344
ILE A  73
GLN A 298
HIS A  68
 None
None
MPD  A 502 (-4.4A)
None
MPD  A 502 (-3.7A)
 1.39A 4xudA-4wgxA:
undetectable		 4xudA-4wgxA:
19.11
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.
5a62 PUTATIVE ALPHA/BETA
HYDROLASE FOLD
PROTEIN

(Candidatus
Nitrososphaera
gargensis) 		PF00561
(Abhydrolase_1) 		5 VAL A 250
GLY A  97
ILE A 119
ILE A 104
SER A 106
 None
 1.20A 4xudA-5a62A:
3.1		 4xudA-5a62A:
23.02
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.
5ahm INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00478
(IMPDH) 		5 VAL A 223
GLY A 275
ILE A 277
ILE A 298
GLN A 316
 None
 1.42A 4xudA-5ahmA:
undetectable		 4xudA-5ahmA:
18.92
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.
5ahn INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 VAL A 223
GLY A 275
ILE A 277
ILE A 298
GLN A 316
 None
 1.38A 4xudA-5ahnA:
undetectable		 4xudA-5ahnA:
18.74
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.
5awn LIGHT CHAIN OF
3BC176 FAB

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL L  21
GLY L  99
TYR L  86
ILE L  97
SER L   2
 None
 1.47A 4xudA-5awnL:
undetectable		 4xudA-5awnL:
21.28
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.
5b48 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
ALPHA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01558
(POR)
PF01855
(POR_N) 		5 GLY A 317
TYR A 253
ILE A 343
SER A 358
GLN A 576
 None
TDN  B 402 (-4.5A)
None
None
None
 1.05A 4xudA-5b48A:
undetectable		 4xudA-5b48A:
17.04
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.
5e4r KETOL-ACID
REDUCTOISOMERASE

(Ignisphaera
aggregans) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 MET A 394
GLU A 205
GLY A 201
ILE A 413
ILE A 198
 None
 1.27A 4xudA-5e4rA:
4.1		 4xudA-5e4rA:
20.09
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.
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
 1.22A 4xudA-5fnuA:
undetectable		 4xudA-5fnuA:
23.17
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.
5fzp DISPASE
AUTOLYSIS-INDUCING
PROTEIN

(Streptomyces
mobaraensis) 		no annotation 5 GLU A 342
GLY A 323
TYR A 296
ILE A 324
HIS A 321
 None
 1.46A 4xudA-5fzpA:
undetectable		 4xudA-5fzpA:
18.66
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.
5fzp DISPASE
AUTOLYSIS-INDUCING
PROTEIN

(Streptomyces
mobaraensis) 		no annotation 5 VAL A  41
GLU A 342
GLY A 323
ILE A 324
HIS A 321
 None
 1.37A 4xudA-5fzpA:
undetectable		 4xudA-5fzpA:
18.66
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.
5gqf LACTO-N-BIOSIDASE

(Bifidobacterium
longum) 		no annotation 5 VAL A 380
GLY A 339
ILE A 186
HIS A 364
TRP A 189
 NAG  A 704 (-3.6A)
None
None
None
None
 1.24A 4xudA-5gqfA:
undetectable		 4xudA-5gqfA:
16.27
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.
5ict GLUTAMATE RECEPTOR 1

(Drosophila
melanogaster) 		PF10613
(Lig_chan-Glu_bd) 		5 GLU A  57
TYR A   9
ILE A  58
ILE A  93
SER A  13
 None
 1.49A 4xudA-5ictA:
undetectable		 4xudA-5ictA:
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.
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
 1.47A 4xudA-5iy7Q:
undetectable		 4xudA-5iy7Q:
18.45
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 GLU A  99
GLY A 101
TYR A 103
TYR A 106
ILE A 100
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
None
 1.36A 4xudA-5kvaA:
20.9		 4xudA-5kvaA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 GLU A  99
GLY A 101
TYR A 103
TYR A 106
ILE A 126
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
SAM  A 301 (-4.2A)
 0.52A 4xudA-5kvaA:
20.9		 4xudA-5kvaA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 MET A  75
GLU A  99
GLY A 101
TYR A 103
ILE A 126
 SAM  A 301 (-3.8A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
SAM  A 301 (-4.2A)
 0.73A 4xudA-5kvaA:
20.9		 4xudA-5kvaA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT

(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B)
PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 VAL B 178
ILE B 106
SER A 463
GLN A 483
HIS B 100
 None
 1.38A 4xudA-5l9wB:
undetectable		 4xudA-5l9wB:
16.08
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.
5lm8 'MULTICOPPER OXIDASE

(Aspergillus
niger) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 VAL A 511
GLY A 122
ILE A 107
SER A 153
GLN A 158
 None
 1.47A 4xudA-5lm8A:
undetectable		 4xudA-5lm8A:
16.18
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.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		5 VAL A  41
GLU A  63
GLY A  65
TYR A  70
ILE A  88
 SAM  A 306 (-3.4A)
SAM  A 306 ( 3.6A)
SAM  A 306 (-3.2A)
None
SAM  A 306 ( 4.2A)
 0.41A 4xudA-5n5dA:
22.6		 4xudA-5n5dA:
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.
5o3z SORBITOL-6-PHOSPHATE
DEHYDROGENASE

(Erwinia
amylovora) 		no annotation 5 VAL A 146
TYR A 154
ILE A  97
GLN A  99
HIS A 150
 None
 1.41A 4xudA-5o3zA:
7.5		 4xudA-5o3zA:
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.
5u1s SEPARIN

(Saccharomyces
cerevisiae) 		PF03568
(Peptidase_C50) 		5 GLU A1543
GLY A 841
TYR A1539
TYR A1538
ILE A 840
 None
 1.48A 4xudA-5u1sA:
undetectable		 4xudA-5u1sA:
9.34
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.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 GLU A 340
GLY A 459
ILE A 460
ILE A 451
GLN A 446
 None
 1.42A 4xudA-5u47A:
undetectable		 4xudA-5u47A:
15.89
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.
5uze INOSINE-5'-MONOPHOSP
HATE
DEHYDROGENASE,INOSIN
E-5'-MONOPHOSPHATE
DEHYDROGENASE

(Clostridium
perfringens) 		PF00478
(IMPDH) 		5 VAL A 232
GLY A 258
TYR A 266
ILE A 256
SER A 252
 None
None
None
None
8L1  A 501 (-3.6A)
 1.29A 4xudA-5uzeA:
undetectable		 4xudA-5uzeA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 VAL A 430
GLU A 451
GLY A 423
ILE A 384
HIS A 421
 None
MN  A 601 ( 2.5A)
DMS  A 607 ( 4.4A)
None
None
 1.45A 4xudA-5x49A:
undetectable		 4xudA-5x49A:
18.34
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.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		5 VAL A  42
GLU A  64
GLY A  66
ILE A  89
ILE A  91
 SAM  A 301 (-3.5A)
SAM  A 301 ( 4.7A)
SAM  A 301 (-3.5A)
None
SAM  A 301 (-3.9A)
 0.43A 4xudA-5x7fA:
20.5		 4xudA-5x7fA:
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 VAL A 598
GLU A 486
GLY A 487
TYR A 489
ILE A 446
 None
 1.32A 4xudA-5ydjA:
undetectable		 4xudA-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.
5yhp COLD ACTIVE PROLINE
IMINOPEPTIDASE

(Glaciozyma
antarctica) 		no annotation 5 VAL A 271
GLU A 232
GLY A  43
ILE A 231
SER A  71
 None
None
FLC  A 402 (-3.4A)
None
None
 1.43A 4xudA-5yhpA:
2.7		 4xudA-5yhpA:
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 VAL A 598
GLU A 486
GLY A 487
TYR A 489
ILE A 446
 None
 1.36A 4xudA-6arxA:
2.8		 4xudA-6arxA:
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.
6b2q SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		no annotation 5 MET A  67
GLU A  61
ILE A 162
GLN A 188
HIS A 139
 None
 1.47A 4xudA-6b2qA:
undetectable		 4xudA-6b2qA:
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)
 1.13A 4xudA-6cczA:
4.3		 4xudA-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.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 5 GLU A1946
TYR A1944
TYR A1926
SER A 991
GLN A2471
 None
 1.47A 4xudA-6fayA:
undetectable		 4xudA-6fayA:
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)
 1.26A 4xudA-6fmqA:
undetectable		 4xudA-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.
1bg7 FERRITIN

(Rana
catesbeiana) 		PF00210
(Ferritin) 		3 SER A  32
GLU A  85
ASP A  87
 None
 0.86A 4xudA-1bg7A:
undetectable		 4xudA-1bg7A:
21.46
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.
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)
 0.68A 4xudA-1bl5A:
undetectable		 4xudA-1bl5A:
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.
1c8m HUMAN RHINOVIRUS 16
COAT PROTEIN

(Rhinovirus A) 		PF00073
(Rhv) 		3 SER 2  60
GLU 2 250
ASP 2  57
 None
 0.84A 4xudA-1c8m2:
undetectable		 4xudA-1c8m2:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i8d RIBOFLAVIN SYNTHASE

(Escherichia
coli) 		PF00677
(Lum_binding) 		3 SER A  14
GLU A  53
ASP A  16
 None
 0.72A 4xudA-1i8dA:
undetectable		 4xudA-1i8dA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.70A 4xudA-1kq3A:
2.8		 4xudA-1kq3A:
20.26
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.
1lvg GUANYLATE KINASE

(Mus musculus) 		PF00625
(Guanylate_kin) 		3 SER A  10
GLU A 157
ASP A 103
 None
None
5GP  A1202 (-3.8A)
 0.77A 4xudA-1lvgA:
undetectable		 4xudA-1lvgA:
23.46
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.
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 4xudA-1lwdA:
2.2		 4xudA-1lwdA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r03 MITOCHONDRIAL
FERRITIN

(Homo sapiens) 		PF00210
(Ferritin) 		3 SER A  36
GLU A  89
ASP A  91
 None
 0.73A 4xudA-1r03A:
undetectable		 4xudA-1r03A:
21.97
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.
1si8 CATALASE

(Enterococcus
faecalis) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		3 SER A 166
GLU A 450
ASP A 163
 None
 0.86A 4xudA-1si8A:
undetectable		 4xudA-1si8A:
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.
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
 0.74A 4xudA-1tllA:
5.5		 4xudA-1tllA:
15.54
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.
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)
 0.78A 4xudA-1tvcA:
4.0		 4xudA-1tvcA:
20.93
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		3 SER A 327
GLU A 266
ASP A 283
 None
 0.78A 4xudA-1ua7A:
undetectable		 4xudA-1ua7A:
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.
1vlu GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE

(Saccharomyces
cerevisiae) 		PF00171
(Aldedh) 		3 SER A   2
GLU A 197
ASP A 191
 None
 0.85A 4xudA-1vluA:
4.2		 4xudA-1vluA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xkn PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE

(Chlorobaculum
tepidum) 		PF04371
(PAD_porph) 		3 SER A  48
GLU A  81
ASP A  74
 None
 0.82A 4xudA-1xknA:
2.1		 4xudA-1xknA:
20.67
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.
1zxq INTERCELLULAR
ADHESION MOLECULE-2

(Homo sapiens) 		PF03921
(ICAM_N) 		3 SER A 153
GLU A 130
ASP A 156
 None
 0.84A 4xudA-1zxqA:
undetectable		 4xudA-1zxqA:
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.
2a3n PUTATIVE
GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF01380
(SIS) 		3 SER A  98
GLU A 105
ASP A 102
 None
 0.67A 4xudA-2a3nA:
2.0		 4xudA-2a3nA:
21.86
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.
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 4xudA-2avdA:
20.7		 4xudA-2avdA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		3 SER A 797
GLU A 767
ASP A 597
 None
 0.85A 4xudA-2b39A:
undetectable		 4xudA-2b39A:
8.92
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.
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)
 0.70A 4xudA-2cgjA:
undetectable		 4xudA-2cgjA:
17.28
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.
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)
 0.80A 4xudA-2d1cA:
2.5		 4xudA-2d1cA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		3 SER A   2
GLU A 371
ASP A 345
 None
 0.84A 4xudA-2gahA:
undetectable		 4xudA-2gahA:
13.74
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.
2hak SERINE/THREONINE-PRO
TEIN KINASE MARK1

(Homo sapiens) 		PF00069
(Pkinase)
PF00627
(UBA) 		3 SER A 235
GLU A 230
ASP A 175
 None
 0.84A 4xudA-2hakA:
undetectable		 4xudA-2hakA:
23.05
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.
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
 0.76A 4xudA-2o2vB:
undetectable		 4xudA-2o2vB:
19.27
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.
2ojh UNCHARACTERIZED
PROTEIN
ATU1656/AGR_C_3050

(Agrobacterium
fabrum) 		PF07676
(PD40) 		3 SER A 274
GLU A  43
ASP A  87
 None
 0.81A 4xudA-2ojhA:
undetectable		 4xudA-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
 0.25A 4xudA-2oo3A:
9.4		 4xudA-2oo3A:
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.
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
 0.83A 4xudA-2pqfA:
undetectable		 4xudA-2pqfA:
22.88
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.
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)
 0.70A 4xudA-2qa2A:
2.5		 4xudA-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.
2ral SERINE-ASPARTATE
REPEAT-CONTAINING
PROTEIN G

(Staphylococcus
epidermidis) 		PF10425
(SdrG_C_C) 		3 SER A 535
GLU A 510
ASP A 493
 None
 0.85A 4xudA-2ralA:
undetectable		 4xudA-2ralA:
18.26
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.
2wnp FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		3 SER F 100
GLU F 291
ASP F 120
 None
 0.83A 4xudA-2wnpF:
undetectable		 4xudA-2wnpF:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		3 SER A 723
GLU A 667
ASP A 398
 None
 0.74A 4xudA-2yd0A:
undetectable		 4xudA-2yd0A:
13.87
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.
2zii VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 74

(Saccharomyces
cerevisiae) 		PF05719
(GPP34) 		3 SER A 282
GLU A 266
ASP A 278
 None
 0.86A 4xudA-2ziiA:
undetectable		 4xudA-2ziiA:
19.39
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.
3a45 FORMAMIDOPYRIMIDINE-
DNA GLYCOSYLASE

(Acanthamoeba
polyphaga
mimivirus) 		PF01149
(Fapy_DNA_glyco)
PF06831
(H2TH) 		3 SER A 101
GLU A  92
ASP A  27
 None
 0.83A 4xudA-3a45A:
undetectable		 4xudA-3a45A:
20.33
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.
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
 0.83A 4xudA-3abiA:
undetectable		 4xudA-3abiA:
20.43
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)
 0.11A 4xudA-3bwmA:
40.6		 4xudA-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
 0.28A 4xudA-3cvoA:
13.5		 4xudA-3cvoA:
22.89
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.
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 4xudA-3d45A:
undetectable		 4xudA-3d45A:
17.30
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.
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
 0.80A 4xudA-3eeqA:
3.6		 4xudA-3eeqA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egc PUTATIVE RIBOSE
OPERON REPRESSOR

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		3 SER A 279
GLU A 258
ASP A 281
 None
 0.84A 4xudA-3egcA:
5.0		 4xudA-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.
3eo7 PUTATIVE
NITROREDUCTASE

(Trichormus
variabilis) 		PF00881
(Nitroreductase) 		3 SER A 366
GLU A 327
ASP A 203
 ACT  A 707 (-3.6A)
None
ACT  A 707 (-3.2A)
 0.82A 4xudA-3eo7A:
undetectable		 4xudA-3eo7A:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h2x TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 22

(Homo sapiens) 		PF00102
(Y_phosphatase) 		3 SER A 201
GLU A 280
ASP A 197
 None
 0.74A 4xudA-3h2xA:
undetectable		 4xudA-3h2xA:
22.83
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.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		3 SER A 211
GLU A 289
ASP A 284
 None
 0.70A 4xudA-3iv0A:
undetectable		 4xudA-3iv0A:
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.
3ldt OUTER MEMBRANE
PROTEIN, OMPA FAMILY
PROTEIN

(Legionella
pneumophila) 		PF00691
(OmpA) 		3 SER A 182
GLU A 230
ASP A 170
 None
 0.85A 4xudA-3ldtA:
undetectable		 4xudA-3ldtA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3le1 PHOSPHOTRANSFERASE
SYSTEM, HPR-RELATED
PROTEINS

(Caldanaerobacter
subterraneus) 		PF00381
(PTS-HPr) 		3 SER A  31
GLU A  72
ASP A  68
 None
 0.72A 4xudA-3le1A:
undetectable		 4xudA-3le1A:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mc2 INHIBITOR OF
CARBONIC ANHYDRASE

(Mus musculus) 		PF00405
(Transferrin) 		3 SER A 626
GLU A 551
ASP A 630
 None
 0.83A 4xudA-3mc2A:
undetectable		 4xudA-3mc2A:
17.75
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.
3oa2 WBPB

(Pseudomonas
aeruginosa) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		3 SER A 178
GLU A 210
ASP A 174
 None
 0.86A 4xudA-3oa2A:
5.0		 4xudA-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.
3pgb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aspergillus
nidulans) 		PF01179
(Cu_amine_oxid)
PF09248
(DUF1965) 		3 SER A 270
GLU A 334
ASP A 265
 None
 0.67A 4xudA-3pgbA:
undetectable		 4xudA-3pgbA:
14.18
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.
3qml NUCLEOTIDE EXCHANGE
FACTOR SIL1

(Saccharomyces
cerevisiae) 		PF16782
(SIL1) 		3 SER C 139
GLU C 132
ASP C 147
 None
 0.85A 4xudA-3qmlC:
undetectable		 4xudA-3qmlC:
21.67
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.
3rst SIGNAL PEPTIDE
PEPTIDASE SPPA

(Bacillus
subtilis) 		PF01343
(Peptidase_S49) 		3 SER A 205
GLU A 191
ASP A 200
 None
 0.82A 4xudA-3rstA:
undetectable		 4xudA-3rstA:
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.
3se4 INTERFERON OMEGA-1

(Homo sapiens) 		PF00143
(Interferon) 		3 SER B 139
GLU B 135
ASP B  34
 None
 0.85A 4xudA-3se4B:
undetectable		 4xudA-3se4B:
21.70
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.
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
 0.76A 4xudA-3tmgA:
undetectable		 4xudA-3tmgA:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3us8 ISOCITRATE
DEHYDROGENASE [NADP]

(Sinorhizobium
meliloti) 		PF00180
(Iso_dh) 		3 SER A 276
GLU A 304
ASP A 273
 None
 0.74A 4xudA-3us8A:
undetectable		 4xudA-3us8A:
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.
3w5f BETA-GALACTOSIDASE

(Solanum
lycopersicum) 		PF01301
(Glyco_hydro_35) 		3 SER A 542
GLU A 456
ASP A 463
 None
 0.86A 4xudA-3w5fA:
undetectable		 4xudA-3w5fA:
14.75
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.
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
 0.82A 4xudA-3wcyA:
undetectable		 4xudA-3wcyA:
19.75
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.
3x1l CMR4

(Archaeoglobus
fulgidus) 		PF03787
(RAMPs) 		3 SER C  15
GLU C 260
ASP C 288
 None
 0.76A 4xudA-3x1lC:
undetectable		 4xudA-3x1lC:
23.16
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.
4a0l CULLIN-4B

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		3 SER E 282
GLU E 355
ASP E 348
 None
 0.83A 4xudA-4a0lE:
undetectable		 4xudA-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
 0.79A 4xudA-4ag4A:
undetectable		 4xudA-4ag4A:
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.
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 4xudA-4aovA:
undetectable		 4xudA-4aovA:
20.15
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.
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
 0.79A 4xudA-4bl3A:
undetectable		 4xudA-4bl3A:
15.01
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.
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)
 0.72A 4xudA-4bluA:
11.8		 4xudA-4bluA:
22.26
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.
4ds2 UBIQUITIN-CONJUGATIN
G ENZYME E2,
PUTATIVE

(Trypanosoma
cruzi) 		PF00179
(UQ_con) 		3 SER A 117
GLU A  18
ASP A  12
 None
 0.77A 4xudA-4ds2A:
undetectable		 4xudA-4ds2A:
25.00
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.
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
 0.80A 4xudA-4fx5A:
undetectable		 4xudA-4fx5A:
18.81
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.
4h0p ACETATE KINASE

(Cryptococcus
neoformans) 		PF00871
(Acetate_kinase) 		3 SER A 198
GLU A 364
ASP A 415
 None
 0.84A 4xudA-4h0pA:
undetectable		 4xudA-4h0pA:
21.14
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.
4hum PROTEIN B

(Escherichia
coli) 		PF00041
(fn3) 		3 SER B  55
GLU B   9
ASP B  23
 None
 0.69A 4xudA-4humB:
undetectable		 4xudA-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.
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)
 0.76A 4xudA-4ihcA:
undetectable		 4xudA-4ihcA:
21.13
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.
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)
 0.83A 4xudA-4j0kA:
2.0		 4xudA-4j0kA:
18.86
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.
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)
 0.84A 4xudA-4je5A:
4.8		 4xudA-4je5A:
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.
4kr8 OUTER MEMBRANE
PROTEIN F

(Salmonella
enterica) 		PF00267
(Porin_1) 		3 SER A  73
GLU A  69
ASP A  64
 None
 0.86A 4xudA-4kr8A:
undetectable		 4xudA-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 4xudA-4kwbA:
undetectable		 4xudA-4kwbA:
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.
4n4r LPS-ASSEMBLY PROTEIN
LPTD

(Salmonella
enterica) 		PF04453
(OstA_C) 		3 SER A 692
GLU A 773
ASP A 651
 None
 0.61A 4xudA-4n4rA:
undetectable		 4xudA-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
 0.82A 4xudA-4oh1A:
3.8		 4xudA-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
 0.74A 4xudA-4p47A:
undetectable		 4xudA-4p47A:
19.78
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
 0.75A 4xudA-4p58A:
33.2		 4xudA-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
 0.83A 4xudA-4pavA:
undetectable		 4xudA-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)
 0.07A 4xudA-4pclA:
22.7		 4xudA-4pclA:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qnl TAIL FIBER PROTEIN

(Escherichia
virus G7C) 		no annotation 3 SER A 569
GLU A 704
ASP A 669
 None
 0.68A 4xudA-4qnlA:
3.9		 4xudA-4qnlA:
13.05
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.
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
 0.81A 4xudA-4uekA:
6.6		 4xudA-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
 0.71A 4xudA-4xeqA:
2.2		 4xudA-4xeqA:
21.54
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.
4xk8 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pisum sativum) 		PF02605
(PsaL) 		3 SER L 109
GLU L 122
ASP L 124
 None
 0.83A 4xudA-4xk8L:
undetectable		 4xudA-4xk8L:
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.
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)
 0.60A 4xudA-4y1pA:
undetectable		 4xudA-4y1pA:
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.
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)
 0.75A 4xudA-4yj1A:
undetectable		 4xudA-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)
 0.12A 4xudA-4ymgA:
20.8		 4xudA-4ymgA:
26.88
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.
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
 0.82A 4xudA-4zhtA:
2.2		 4xudA-4zhtA:
19.80
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.
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
 0.76A 4xudA-5a22A:
11.1		 4xudA-5a22A:
7.54
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.
5aoy ENDONUCLEASE V

(Mus musculus) 		PF04493
(Endonuclease_5) 		3 SER A 243
GLU A 100
ASP A 126
 None
 0.77A 4xudA-5aoyA:
undetectable		 4xudA-5aoyA:
23.40
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.
5ft1 GP37

(Pseudomonas
virus phiKZ) 		no annotation 3 SER A 212
GLU A 222
ASP A 137
 None
 0.84A 4xudA-5ft1A:
undetectable		 4xudA-5ft1A:
19.43
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.
5gt5 PECTATE LYASE

(Paenibacillus
sp. 0602) 		no annotation 3 SER A 122
GLU A 157
ASP A  97
 None
 0.81A 4xudA-5gt5A:
undetectable		 4xudA-5gt5A:
17.53
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		3 SER b 389
GLU b  87
ASP b  90
 None
 0.84A 4xudA-5gw5b:
undetectable		 4xudA-5gw5b:
16.89
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.
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)
 0.58A 4xudA-5hn4A:
3.0		 4xudA-5hn4A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.85A 4xudA-5ju6A:
undetectable		 4xudA-5ju6A:
13.45
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.
5k5t EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR

(Homo sapiens) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		3 SER A 591
GLU A 567
ASP A 570
 None
 0.83A 4xudA-5k5tA:
3.6		 4xudA-5k5tA:
17.43
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.
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)
 0.18A 4xudA-5n5dA:
22.6		 4xudA-5n5dA:
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.
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)
 0.85A 4xudA-5oarB:
undetectable		 4xudA-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.
5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN

(Burkholderia
ambifaria) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 SER A 245
GLU A 267
ASP A 225
 EDO  A 403 (-2.8A)
None
EDO  A 403 ( 4.3A)
 0.86A 4xudA-5tnxA:
6.9		 4xudA-5tnxA:
21.66
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.
5wpn FERRITIN

(Chaetopterus
variopedatus) 		no annotation 3 SER A  33
GLU A  86
ASP A  88
 None
 0.79A 4xudA-5wpnA:
undetectable		 4xudA-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)
 0.83A 4xudA-5xhmA:
undetectable		 4xudA-5xhmA:
21.97
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.
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)
 0.70A 4xudA-5xwyA:
undetectable		 4xudA-5xwyA:
10.12
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.82A 4xudA-5ydjA:
undetectable		 4xudA-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)
 0.16A 4xudA-5zw4A:
22.3		 4xudA-5zw4A:
29.51
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.
6bk8 PRE-MRNA-SPLICING
FACTOR SYF1

(Saccharomyces
cerevisiae) 		no annotation 3 SER U 783
GLU U 743
ASP U 750
 None
 0.57A 4xudA-6bk8U:
undetectable		 4xudA-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.
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)
 0.64A 4xudA-6em0A:
3.7		 4xudA-6em0A:
undetectable