SIMILAR PATTERNS OF AMINO ACIDS FOR 4XUD_A_SAMA303_0

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