SIMILAR PATTERNS OF AMINO ACIDS FOR 4UAC_A_ACRA501

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.
1elj MALTODEXTRIN-BINDING
PROTEIN

(Pyrococcus
furiosus) 		PF13416
(SBP_bac_8) 		5 ALA A  66
ASP A  68
ASN A 159
TRP A 230
LYS A 266
 GLC  A1002 (-3.2A)
GLC  A1003 (-2.8A)
GLC  A1002 ( 3.3A)
GLC  A1001 ( 3.8A)
GLC  A1001 ( 2.6A)
 0.87A 4uacA-1eljA:
33.9		 4uacA-1eljA:
27.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f3o PYRUVATE
FORMATE-LYASE 2

(Archaeoglobus
fulgidus) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 GLU A 451
ALA A 447
ASP A 547
ASN A 445
LYS A 448
 None
 1.36A 4uacA-2f3oA:
0.0		 4uacA-2f3oA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fnc MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13416
(SBP_bac_8) 		5 LYS A  45
ALA A  64
ASP A  66
ASN A 156
TRP A 233
 None
MLR  A2913 (-3.1A)
MLR  A2913 (-2.8A)
MLR  A2913 (-2.7A)
MLR  A2913 (-4.0A)
 0.83A 4uacA-2fncA:
37.3		 4uacA-2fncA:
24.83
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.
2xd3 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		5 ASP A  82
ASP A 102
ASN A 195
TRP A 273
LYS A 306
 GLC  A1421 (-2.8A)
GLC  A1419 (-2.8A)
GLC  A1419 (-2.9A)
GLC  A1418 (-3.7A)
GLC  A1417 (-2.6A)
 0.68A 4uacA-2xd3A:
36.6		 4uacA-2xd3A:
27.03
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.
3v9f TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE
REGULATOR, HYBRID
(ONE-COMPONENT
SYSTEM)

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		5 SER A 433
GLU A 434
LYS A 479
ASP A 475
ALA A 494
 None
 1.40A 4uacA-3v9fA:
0.0		 4uacA-3v9fA:
19.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5m28 MALE1

(Lactobacillus
casei) 		PF13416
(SBP_bac_8) 		5 ALA A  78
ASP A  80
GLN A  81
ASN A 162
TRP A 234
 MLR  A 401 (-3.0A)
MLR  A 401 (-2.1A)
MLR  A 401 (-3.9A)
MLR  A 401 (-3.3A)
MLR  A 401 (-2.8A)
 0.55A 4uacA-5m28A:
46.2		 4uacA-5m28A:
33.08
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.
1bev BOVINE ENTEROVIRUS
COAT PROTEINS VP1 TO
VP4

(Enterovirus E) 		PF00073
(Rhv) 		4 GLU 2 159
TRP 2  80
ASP 2  84
THR 2 205
 None
 1.24A 4uacA-1bev2:
0.0		 4uacA-1bev2:
19.41
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.
1cjl PROCATHEPSIN L

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 GLU A  48
SER A 142
GLU A 153
ASP A 162
 None
 1.23A 4uacA-1cjlA:
0.0		 4uacA-1cjlA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dkg MOLECULAR CHAPERONE
DNAK

(Escherichia
coli) 		PF00012
(HSP70) 		4 PRO D  53
GLU D  31
SER D  38
THR D 141
 None
 1.24A 4uacA-1dkgD:
0.0		 4uacA-1dkgD:
22.92
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.
1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(SMALLER SUBUNIT))

(Desulfovibrio
vulgaris) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C)
PF13237
(Fer4_10) 		4 PRO L 180
GLU L 240
ASP S  54
THR L 290
 SF4  L 424 (-4.3A)
None
None
None
 1.12A 4uacA-1hfeL:
0.1		 4uacA-1hfeL:
21.88
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.
1hsj FUSION PROTEIN
CONSISTING OF
STAPHYLOCOCCUS
ACCESSORY REGULATOR
PROTEIN R AND
MALTOSE BINDING
PROTEIN

(Escherichia
coli;
Staphylococcus
aureus) 		PF01547
(SBP_bac_1) 		4 GLU A 371
GLU A 425
ASP A 458
THR A 461
 None
 1.24A 4uacA-1hsjA:
34.6		 4uacA-1hsjA:
25.15
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.
1i51 CASPASE-7 SUBUNIT
P11
CASPASE-7 SUBUNIT
P20

(Homo sapiens) 		PF00656
(Peptidase_C14) 		4 PRO B 227
GLU A 147
SER B 224
THR A  90
 None
 1.28A 4uacA-1i51B:
0.0		 4uacA-1i51B:
13.28
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.
1irx LYSYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01921
(tRNA-synt_1f) 		4 GLU A  92
SER A 211
TRP A 193
ASP A 190
 None
 1.21A 4uacA-1irxA:
1.4		 4uacA-1irxA:
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.
1kl7 THREONINE SYNTHASE

(Saccharomyces
cerevisiae) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		4 GLU A 402
SER A 410
GLU A 431
ASP A 106
 None
 1.27A 4uacA-1kl7A:
0.0		 4uacA-1kl7A:
22.91
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.
1lq2 BETA-D-GLUCAN
GLUCOHYDROLASE
ISOENZYME EXO1

(Hordeum vulgare) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		4 GLU A 134
GLU A 549
ASP A 560
THR A 554
 None
 1.15A 4uacA-1lq2A:
undetectable		 4uacA-1lq2A:
23.23
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.
1mqt POLYPROTEIN
POLYPROTEIN CAPSID
PROTEIN

(Enterovirus B) 		PF00073
(Rhv) 		4 PRO C  37
SER B 207
GLU B 129
THR A 211
 None
 1.30A 4uacA-1mqtC:
undetectable		 4uacA-1mqtC:
20.76
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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox)
PF02964
(MeMO_Hyd_G) 		4 PRO G 124
GLU B  89
GLU G  61
ASP G  38
 None
 1.21A 4uacA-1mtyG:
undetectable		 4uacA-1mtyG:
18.93
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.
1qge PROTEIN
(TRIACYLGLYCEROL
HYDROLASE)

(Burkholderia
glumae) 		PF00561
(Abhydrolase_1)
no annotation 		4 PRO D 216
SER E 267
GLU D 118
THR D 172
 None
 1.11A 4uacA-1qgeD:
undetectable		 4uacA-1qgeD:
19.45
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.
1rw0 CONSERVED
HYPOTHETICAL PROTEIN

(Salmonella
enterica) 		PF02578
(Cu-oxidase_4) 		4 PRO A   7
SER A  20
ASP A  32
THR A 233
 None
 1.25A 4uacA-1rw0A:
undetectable		 4uacA-1rw0A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t47 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Streptomyces
avermitilis) 		PF00903
(Glyoxalase) 		4 PRO A  54
SER A  63
ASP A  24
THR A 152
 None
 1.04A 4uacA-1t47A:
undetectable		 4uacA-1t47A:
22.40
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.
1tah LIPASE

(Burkholderia
glumae) 		no annotation 4 PRO B 216
SER B 267
GLU B 118
THR B 172
 None
 1.14A 4uacA-1tahB:
undetectable		 4uacA-1tahB:
22.93
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.
1u05 ORF, CONSERVED
HYPOTHETICAL PROTEIN

(Shigella
flexneri) 		PF02578
(Cu-oxidase_4) 		4 PRO A   7
SER A  20
ASP A  32
THR A 233
 None
 1.30A 4uacA-1u05A:
undetectable		 4uacA-1u05A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vyt CALCIUM CHANNEL
BETA-3 SUBUNIT
VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL ALPHA-1C
SUBUNIT

(Rattus
norvegicus) 		PF00625
(Guanylate_kin)
PF12052
(VGCC_beta4Aa_N)
no annotation 		4 GLU A 354
GLU A 347
TRP E 440
ASP E 439
 None
 0.91A 4uacA-1vytA:
undetectable		 4uacA-1vytA:
21.69
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.
1y79 PEPTIDYL-DIPEPTIDASE
DCP

(Escherichia
coli) 		PF01432
(Peptidase_M3) 		4 PRO 1 671
TRP 1 461
ASP 1 462
THR 1 466
 None
None
None
GLY  1 703 ( 4.6A)
 1.18A 4uacA-1y791:
undetectable		 4uacA-1y791:
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.
1yt8 THIOSULFATE
SULFURTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00581
(Rhodanese) 		4 PRO A 369
SER A 302
GLU A 362
ASP A 330
 None
 1.31A 4uacA-1yt8A:
undetectable		 4uacA-1yt8A:
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.
2cxx PROBABLE GTP-BINDING
PROTEIN ENGB

(Pyrococcus
horikoshii) 		PF01926
(MMR_HSR1) 		4 PRO A 109
GLU A 103
GLU A 150
ASP A 122
 None
 1.26A 4uacA-2cxxA:
undetectable		 4uacA-2cxxA:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gy7 ANGIOPOIETIN-2

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		4 SER A 361
GLU A 358
TRP A 446
ASP A 422
 None
 1.21A 4uacA-2gy7A:
undetectable		 4uacA-2gy7A:
18.77
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.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 PRO X 529
SER X 541
ASP X 165
THR X 167
 None
 1.23A 4uacA-2iv2X:
undetectable		 4uacA-2iv2X:
20.98
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 PRO A 414
SER A 311
ASP A 330
THR A 231
 None
 1.10A 4uacA-2ivfA:
undetectable		 4uacA-2ivfA:
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.
2jf4 PERIPLASMIC
TREHALASE

(Escherichia
coli) 		PF01204
(Trehalase) 		4 SER A 309
TRP A 447
ASP A 448
THR A 402
 None
VDM  A1548 (-4.1A)
None
None
 1.12A 4uacA-2jf4A:
undetectable		 4uacA-2jf4A:
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.
2uut RNA-DIRECTED RNA
POLYMERASE

(Sapporo virus) 		PF00680
(RdRP_1) 		4 PRO A 172
GLU A 174
GLU A  35
TRP A  32
 None
 1.13A 4uacA-2uutA:
undetectable		 4uacA-2uutA:
20.65
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.
2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE

(Schistosoma
mansoni) 		PF00462
(Glutaredoxin)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 PRO A 507
GLU A 509
ASP A 565
THR A 567
 None
 1.31A 4uacA-2v6oA:
undetectable		 4uacA-2v6oA:
21.63
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 GLU A 886
SER A1033
GLU A 940
ASP A 651
 AKG  A2475 (-4.2A)
None
None
None
 1.32A 4uacA-2vdcA:
undetectable		 4uacA-2vdcA:
15.00
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.
2vga PROTEIN A41

(Vaccinia virus) 		PF02250
(Orthopox_35kD) 		4 SER A  80
GLU A  17
ASP A 164
THR A 176
 None
 1.04A 4uacA-2vgaA:
undetectable		 4uacA-2vgaA:
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.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 PRO B   8
SER B  11
GLU B 487
ASP B  25
 None
 1.19A 4uacA-2w55B:
undetectable		 4uacA-2w55B:
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.
2wf7 BETA-PHOSPHOGLUCOMUT
ASE

(Lactococcus
lactis) 		PF13419
(HAD_2) 		4 PRO A 138
SER A  48
GLU A  50
ASP A  58
 None
 1.30A 4uacA-2wf7A:
undetectable		 4uacA-2wf7A:
21.78
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.
3abg BILIRUBIN OXIDASE

(Albifimbria
verrucaria) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLU A 143
SER A 180
ASP A 313
THR A 305
 None
 1.06A 4uacA-3abgA:
undetectable		 4uacA-3abgA:
22.73
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.
3cji POLYPROTEIN

(Senecavirus A) 		PF00073
(Rhv)
no annotation 		4 PRO A 192
GLU C 138
SER A 189
THR D  37
 None
 1.21A 4uacA-3cjiA:
undetectable		 4uacA-3cjiA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iu0 PROTEIN-GLUTAMINE
GAMMA-GLUTAMYLTRANSF
ERASE

(Streptomyces
mobaraensis) 		PF09017
(Transglut_prok) 		4 PRO A 224
GLU A 228
GLU A 101
THR A  53
 None
 1.24A 4uacA-3iu0A:
undetectable		 4uacA-3iu0A:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3koy D-ORNITHINE
AMINOMUTASE E
COMPONENT

(Acetoanaerobium
sticklandii) 		PF02310
(B12-binding)
PF09043
(Lys-AminoMut_A)
PF16554
(OAM_dimer) 		4 PRO A 336
GLU A 350
GLU A 569
THR A 566
 None
 1.26A 4uacA-3koyA:
undetectable		 4uacA-3koyA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l8d METHYLTRANSFERASE

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		4 PRO A 132
SER A 125
ASP A  64
THR A  68
 None
 1.32A 4uacA-3l8dA:
undetectable		 4uacA-3l8dA:
21.39
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.
3lib HYPOTHETICAL SENSORY
TRANSDUCTION
HISTIDINE KINASE

(Methanosarcina
mazei) 		PF02743
(dCache_1) 		4 PRO A 170
GLU A 169
ASP A 270
THR A 268
 None
 1.15A 4uacA-3libA:
undetectable		 4uacA-3libA:
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.
3m1h LYSINE SPECIFIC
CYSTEINE PROTEASE

(Porphyromonas
gingivalis) 		PF07675
(Cleaved_Adhesin) 		4 GLU A1428
GLU A1432
TRP A1454
THR A1456
 None
NA  A2003 ( 4.7A)
None
None
 1.32A 4uacA-3m1hA:
undetectable		 4uacA-3m1hA:
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.
3n2o BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Vibrio
vulnificus) 		PF02784
(Orn_Arg_deC_N) 		4 PRO A 540
GLU A 539
SER A  51
GLU A  35
 None
 1.31A 4uacA-3n2oA:
undetectable		 4uacA-3n2oA:
20.74
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.
3pqy ALPHA CHAIN OF THE
6218-TCR

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF09291
(DUF1968) 		4 PRO D  22
SER D  10
GLU D  12
THR D 157
 None
 1.31A 4uacA-3pqyD:
undetectable		 4uacA-3pqyD:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sto SERINE PROTEASE
INHIBITOR

(Schistosoma
haematobium) 		PF00079
(Serpin) 		4 PRO A 371
GLU A 372
TRP A 198
THR A 251
 None
 1.30A 4uacA-3stoA:
undetectable		 4uacA-3stoA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli) 		PF01450
(IlvC)
PF07991
(IlvN) 		4 SER A 414
GLU A 221
TRP A 320
ASP A 319
 SER  A 414 ( 0.0A)
GLU  A 221 (-0.6A)
TRP  A 320 ( 0.5A)
ASP  A 319 ( 0.6A)
 1.18A 4uacA-3ulkA:
undetectable		 4uacA-3ulkA:
23.20
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.
3v11 TRANSLATION
INITIATION FACTOR 2
SUBUNIT ALPHA

(Sulfolobus
solfataricus) 		PF00575
(S1)
PF07541
(EIF_2_alpha) 		4 PRO B 136
GLU B 130
GLU B  33
THR B  18
 None
 1.15A 4uacA-3v11B:
undetectable		 4uacA-3v11B:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 PRO A 458
GLU A 500
GLU A 587
THR A 584
 None
 1.24A 4uacA-3viuA:
undetectable		 4uacA-3viuA:
19.36
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.
3w36 NAPH1

(Streptomyces
sp. CNQ525) 		no annotation 4 PRO A 231
SER A 288
ASP A 500
THR A 502
 None
 1.13A 4uacA-3w36A:
undetectable		 4uacA-3w36A:
23.93
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.
4e5k PHOSPHITE
DEHYDROGENASE
(THERMOSTABLE
VARIANT)

(Pseudomonas
stutzeri) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 PRO A 235
GLU A 266
ASP A  31
THR A  33
 None
 1.11A 4uacA-4e5kA:
undetectable		 4uacA-4e5kA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gr4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		4 PRO A 232
GLU A 211
SER A 361
ASP A 449
 None
 1.24A 4uacA-4gr4A:
undetectable		 4uacA-4gr4A:
23.03
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.
4id9 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		4 PRO A  33
GLU A  40
ASP A 170
THR A 166
 None
 1.28A 4uacA-4id9A:
undetectable		 4uacA-4id9A:
20.53
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.
4jc8 HOPS COMPONENT VPS33

(Chaetomium
thermophilum) 		PF00995
(Sec1) 		4 GLU A 381
SER A 405
GLU A 388
ASP A 398
 None
 1.08A 4uacA-4jc8A:
undetectable		 4uacA-4jc8A:
20.32
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.
4jkm BETA-GLUCURONIDASE

(Clostridium
perfringens) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		4 PRO A 112
SER A 336
GLU A 338
ASP A 316
 None
 1.24A 4uacA-4jkmA:
undetectable		 4uacA-4jkmA:
21.35
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.
4ka8 OLIGOPEPTIDASE A

(Arabidopsis
thaliana) 		PF01432
(Peptidase_M3) 		4 GLU A 448
SER A 559
GLU A 565
ASP A 508
 None
 1.15A 4uacA-4ka8A:
undetectable		 4uacA-4ka8A:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l5f LIGHT CHAIN OF E106
ANTIBODY (KAPPA)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 PRO L   8
SER L  12
GLU L 105
ASP L 110
 None
 1.06A 4uacA-4l5fL:
undetectable		 4uacA-4l5fL:
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.
4ldy AUXIN RESPONSE
FACTOR 1

(Arabidopsis
thaliana) 		PF02362
(B3)
PF06507
(Auxin_resp) 		4 PRO A 338
GLU A 337
SER A 340
THR A 127
 None
 1.23A 4uacA-4ldyA:
undetectable		 4uacA-4ldyA:
18.12
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.
4mij TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		4 PRO A 113
GLU A 235
TRP A 276
ASP A 277
 None
 1.15A 4uacA-4mijA:
6.3		 4uacA-4mijA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mwt LYSOSOMAL PROTECTIVE
PROTEIN

(Homo sapiens) 		PF00450
(Peptidase_S10) 		4 PRO A 432
GLU A 149
ASP A  78
THR A 311
 PRO  A 432 ( 1.1A)
GLU  A 149 ( 0.5A)
ASP  A  78 ( 0.6A)
THR  A 311 ( 0.8A)
 1.26A 4uacA-4mwtA:
undetectable		 4uacA-4mwtA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n8y PUTATIVE TRAP-TYPE
C4-DICARBOXYLATE
TRANSPORT SYSTEM,
BINDING PERIPLASMIC
PROTEIN (DCTP
SUBUNIT)

(Bradyrhizobium
sp. BTAi1) 		PF03480
(DctP) 		4 PRO A 104
GLU A 227
TRP A 268
ASP A 269
 None
 1.17A 4uacA-4n8yA:
5.7		 4uacA-4n8yA:
23.36
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.
4nme PROLINE
DEHYDROGENASE AND
DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Geobacter
sulfurreducens) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		4 PRO A 204
GLU A 246
SER A 219
ASP A 827
 None
 0.93A 4uacA-4nmeA:
undetectable		 4uacA-4nmeA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nme PROLINE
DEHYDROGENASE AND
DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Geobacter
sulfurreducens) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		4 PRO A 657
SER A 684
ASP A 523
THR A 521
 None
 1.10A 4uacA-4nmeA:
undetectable		 4uacA-4nmeA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nnd TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 18

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 PRO A 107
SER A 229
TRP A 195
THR A 277
 None
 1.02A 4uacA-4nndA:
undetectable		 4uacA-4nndA:
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.
4nsc CALCIUM UPTAKE
PROTEIN 1,
MITOCHONDRIAL

(Homo sapiens) 		PF13202
(EF-hand_5)
PF13833
(EF-hand_8) 		4 GLU A 365
GLU A 298
ASP A 235
THR A 292
 None
 1.11A 4uacA-4nscA:
undetectable		 4uacA-4nscA:
22.35
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.
4oec GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Thermococcus
kodakarensis) 		PF03009
(GDPD) 		4 PRO A 178
GLU A 180
TRP A  43
THR A  61
 None
 1.17A 4uacA-4oecA:
undetectable		 4uacA-4oecA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ovr TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Xanthobacter
autotrophicus) 		PF03480
(DctP) 		4 PRO A 107
GLU A 229
TRP A 270
ASP A 271
 None
 1.12A 4uacA-4ovrA:
5.7		 4uacA-4ovrA:
24.69
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.
4pe5 GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		4 PRO B  78
GLU B 106
ASP B 206
THR B 174
 None
 1.27A 4uacA-4pe5B:
2.2		 4uacA-4pe5B:
18.47
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.
4ps0 CASPASE-3

(Homo sapiens) 		PF00656
(Peptidase_C14) 		4 PRO A 201
GLU A 124
SER A 198
THR A  67
 None
 1.22A 4uacA-4ps0A:
undetectable		 4uacA-4ps0A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4puf E3 UBIQUITIN-PROTEIN
LIGASE SLRP

(Salmonella
enterica) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		4 PRO A 383
GLU A 363
ASP A 505
THR A 509
 None
 1.31A 4uacA-4pufA:
undetectable		 4uacA-4pufA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pxq D-GLUCURONYL C5
EPIMERASE B

(Danio rerio) 		PF06662
(C5-epim_C) 		4 SER A 124
TRP A 544
ASP A 545
THR A 548
 None
None
UAP  A 801 (-3.6A)
None
 1.27A 4uacA-4pxqA:
undetectable		 4uacA-4pxqA:
22.35
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.
4qc8 VP2

(Ungulate
bocaparvovirus
1) 		PF00740
(Parvo_coat) 		4 PRO A 415
GLU A 374
TRP A 250
ASP A 247
 None
 1.19A 4uacA-4qc8A:
undetectable		 4uacA-4qc8A:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqt D-HYDANTOINASE

(Brucella suis) 		PF01979
(Amidohydro_1) 		4 GLU A 420
GLU A 344
ASP A 440
THR A 431
 None
 1.17A 4uacA-4tqtA:
undetectable		 4uacA-4tqtA:
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.
4tx1 ESTERASE

(Sinorhizobium
meliloti) 		PF13472
(Lipase_GDSL_2) 		4 PRO A 161
SER A 156
ASP A 187
THR A 140
 None
 1.29A 4uacA-4tx1A:
1.5		 4uacA-4tx1A:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 PRO L 376
GLU L 337
SER L 502
THR S  18
 None
MG  L 602 ( 3.9A)
NWN  L 601 (-2.7A)
None
 1.27A 4uacA-4u9iL:
undetectable		 4uacA-4u9iL:
23.06
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.
4x36 AUTOLYSIN

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1)
PF01510
(Amidase_2) 		4 PRO A 152
GLU A 134
SER A 160
GLU A 162
 None
 1.31A 4uacA-4x36A:
undetectable		 4uacA-4x36A:
20.98
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.
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli) 		PF06007
(PhnJ) 		4 PRO D 240
GLU D 239
ASP D  74
THR D  76
 None
 1.12A 4uacA-4xb6D:
undetectable		 4uacA-4xb6D:
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.
4ys6 PUTATIVE
SOLUTE-BINDING
COMPONENT OF ABC
TRANSPORTER

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		4 PRO A 309
SER A 300
ASP A 167
THR A 125
 None
 1.32A 4uacA-4ys6A:
undetectable		 4uacA-4ys6A:
24.88
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.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 4 PRO A 742
GLU A 741
SER A 821
THR A 456
 None
 1.09A 4uacA-5b7iA:
undetectable		 4uacA-5b7iA:
16.14
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.
5bob TRANSLATION
INITIATION FACTOR 2
(IF-2 GTPASE)

(Streptococcus
suis) 		no annotation 4 SER A 154
TRP A 188
ASP A 184
THR A 163
 None
 1.07A 4uacA-5bobA:
undetectable		 4uacA-5bobA:
19.85
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.
5ds0 PEPTIDASE M42

(Thaumarchaeota
archaeon SCGC
AB-539-E09) 		PF05343
(Peptidase_M42) 		4 GLU A 146
SER A  78
GLU A  80
ASP A 135
 None
 1.29A 4uacA-5ds0A:
undetectable		 4uacA-5ds0A:
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.
5dxf TREHALOSE-6-PHOSPHAT
E PHOSPHATASE

(Candida
albicans) 		PF00982
(Glyco_transf_20) 		4 SER A  66
GLU A 443
ASP A 435
THR A 463
 None
 1.32A 4uacA-5dxfA:
undetectable		 4uacA-5dxfA:
22.04
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.
5ec0 ALP7A

(Bacillus
subtilis) 		no annotation 4 GLU A  73
SER A  13
GLU A 267
ASP A 218
 None
ADP  A 403 (-4.1A)
ADP  A 403 (-3.6A)
None
 1.27A 4uacA-5ec0A:
undetectable		 4uacA-5ec0A:
22.73
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.
5fn4 NICASTRIN

(Homo sapiens) 		PF05450
(Nicastrin) 		4 PRO A 208
SER A 665
GLU A 667
THR A 674
 None
 1.15A 4uacA-5fn4A:
2.4		 4uacA-5fn4A:
20.17
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.
5gnm VITAMIN D(3)
25-HYDROXYLASE

(Pseudonocardia
autotrophica) 		PF00067
(p450) 		4 SER A 222
GLU A 224
ASP A  94
THR A  82
 None
 1.19A 4uacA-5gnmA:
undetectable		 4uacA-5gnmA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jy7 MALTOKINASE

(Mycolicibacterium
smegmatis) 		PF01636
(APH) 		4 GLU I 232
TRP I 379
ASP I 213
THR I 209
 None
 1.24A 4uacA-5jy7I:
undetectable		 4uacA-5jy7I:
23.55
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.
5kte FAB HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 PRO H 120
GLU H 149
ASP H  88
THR H  90
 None
 1.27A 4uacA-5kteH:
undetectable		 4uacA-5kteH:
19.15
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.
5lkm DNA REPAIR PROTEIN
RADA

(Streptococcus
pneumoniae) 		PF13481
(AAA_25)
PF13541
(ChlI) 		4 PRO A 433
GLU A 435
GLU A 259
THR A 232
 None
 1.04A 4uacA-5lkmA:
1.7		 4uacA-5lkmA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m59 PUTATIVE PRE-MRNA
SPLICING FACTOR

(Chaetomium
thermophilum) 		PF08084
(PROCT) 		4 SER B2198
GLU B2158
TRP B2202
ASP B2166
 None
 1.23A 4uacA-5m59B:
undetectable		 4uacA-5m59B:
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.
5mgy FAD:PROTEIN FMN
TRANSFERASE

(Pseudomonas
stutzeri) 		no annotation 4 SER H  46
GLU H 208
ASP H 255
THR H 252
 None
 1.26A 4uacA-5mgyH:
undetectable		 4uacA-5mgyH:
23.72
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.
5mm2 CAPSID PROTEIN VP4A
CAPSID PROTEIN VP4C

(Nora virus) 		no annotation 4 PRO A  93
GLU A 273
TRP C 174
ASP C 125
 None
 1.23A 4uacA-5mm2A:
undetectable		 4uacA-5mm2A:
11.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n9j MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 17
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 20

(Schizosaccharomyces
pombe) 		PF08612
(Med20)
PF10156
(Med17) 		4 PRO Y   2
GLU Y 134
ASP W 505
THR W 498
 None
 1.22A 4uacA-5n9jY:
undetectable		 4uacA-5n9jY:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nth PUTATIVE
AMINOPEPTIDASE

(Leishmania
major) 		PF00883
(Peptidase_M17) 		4 GLU A 465
SER A 438
GLU A 498
THR A 404
 None
 1.24A 4uacA-5nthA:
undetectable		 4uacA-5nthA:
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.
5t4y SUSC HOMOLOG

(Bacteroides
thetaiotaomicron) 		no annotation 4 PRO D 998
SER D1001
GLU D 379
ASP D 294
 None
 1.22A 4uacA-5t4yD:
undetectable		 4uacA-5t4yD:
18.17
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.
5t7c HIPPOCALCIN-LIKE
PROTEIN 1

(Homo sapiens) 		PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		4 PRO A 145
GLU A 146
GLU A 123
THR A  40
 None
 1.22A 4uacA-5t7cA:
undetectable		 4uacA-5t7cA:
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.
5u7w APYRASE

(Trifolium
repens) 		PF01150
(GDA1_CD39) 		4 PRO A 305
SER A 299
ASP A  12
THR A  88
 None
None
None
PO4  A 503 ( 4.4A)
 1.03A 4uacA-5u7wA:
undetectable		 4uacA-5u7wA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5viy 8ANC195 G52K5 FAB
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU K  10
SER K  79
ASP K  73
THR K  75
 None
 1.30A 4uacA-5viyK:
undetectable		 4uacA-5viyK:
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.
5vvo PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 GLU A 117
GLU A  76
TRP A  73
ASP A 639
 None
 1.15A 4uacA-5vvoA:
undetectable		 4uacA-5vvoA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wh8 PUTATIVE
CARBOHYDRATE-ACTIVE
ENZYME

(uncultured
organism) 		no annotation 4 GLU A 325
SER A  82
GLU A 284
THR A 254
 EDO  A 412 (-2.7A)
None
EDO  A 411 (-3.3A)
None
 1.30A 4uacA-5wh8A:
undetectable		 4uacA-5wh8A:
11.63
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.
5wka BETA-GLUCOSIDASE

(metagenome) 		no annotation 4 PRO A 177
GLU A 125
SER A 165
THR A 157
 None
 1.30A 4uacA-5wkaA:
undetectable		 4uacA-5wkaA:
14.85
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 4 PRO A 592
SER A 585
ASP A 380
THR A 377
 None
 1.30A 4uacA-5xmjA:
undetectable		 4uacA-5xmjA:
13.37
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.
5znn SORTILIN

(Mus musculus) 		no annotation 4 PRO A 574
GLU A 175
SER A 113
THR A 127
 None
 1.09A 4uacA-5znnA:
undetectable		 4uacA-5znnA:
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.
5zzn -

(-) 		no annotation 4 GLU V 109
TRP V 130
ASP V  53
THR V  46
 None
None
None
HEM  V 201 (-4.1A)
 0.88A 4uacA-5zznV:
undetectable		 4uacA-5zznV:
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.
6bq1 PHOSPHATIDYLINOSITOL
4-KINASE III ALPHA
(PI4KA)

(Homo sapiens) 		no annotation 4 PRO A1289
GLU A1291
ASP A1518
THR A1119
 None
 1.22A 4uacA-6bq1A:
undetectable		 4uacA-6bq1A:
0.00
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.
6fj4 ENDO-1,4-BETA-XYLANA
SE Y

(Ruminiclostridium
thermocellum) 		no annotation 4 GLU A 916
GLU A 870
TRP A1060
ASP A 877
 None
 1.15A 4uacA-6fj4A:
undetectable		 4uacA-6fj4A:
11.56