SIMILAR PATTERNS OF AMINO ACIDS FOR 4R87_J_SPMJ202_1

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.
1ca0 PROTEASE INHIBITOR
DOMAIN OF
ALZHEIMER'S AMYLOID
BETA-PROTEIN
PRECURSOR

(Homo sapiens) 		PF00014
(Kunitz_BPTI) 		4 MET D  52
GLU D  48
TYR D  22
GLU D  27
 None
 1.30A 4r87J-1ca0D:
undetectable
4r87L-1ca0D:
undetectable		 4r87J-1ca0D:
15.04
4r87L-1ca0D:
15.04
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.
1e6v METHYL-COENZYME M
REDUCTASE I ALPHA
SUBUNIT
METHYL-COENZYME M
REDUCTASE I GAMMA
SUBUNIT

(Methanopyrus
kandleri) 		PF02240
(MCR_gamma)
PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 GLU C 230
TYR C 228
GLU A 386
GLU A 389
 None
 1.42A 4r87J-1e6vC:
0.0
4r87L-1e6vC:
0.0		 4r87J-1e6vC:
22.73
4r87L-1e6vC:
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.
1kfu M-CALPAIN LARGE
SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		4 MET L 622
GLU L 626
GLU L 633
GLU L 632
 None
 1.29A 4r87J-1kfuL:
0.0
4r87L-1kfuL:
0.0		 4r87J-1kfuL:
14.85
4r87L-1kfuL:
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.
1mqq ALPHA-D-GLUCURONIDAS
E

(Geobacillus
stearothermophilus) 		PF03648
(Glyco_hydro_67N)
PF07477
(Glyco_hydro_67C)
PF07488
(Glyco_hydro_67M) 		4 TRP A 483
TYR A   5
GLU A   6
ARG A 179
 None
 1.32A 4r87J-1mqqA:
0.3
4r87L-1mqqA:
0.0		 4r87J-1mqqA:
13.60
4r87L-1mqqA:
13.60
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.
1oah CYTOCHROME C NITRITE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF02335
(Cytochrom_C552) 		4 MET A 346
TYR A 360
GLU A 359
ARG A 364
 None
 1.49A 4r87J-1oahA:
undetectable
4r87L-1oahA:
undetectable		 4r87J-1oahA:
14.20
4r87L-1oahA:
14.20
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.
1qvr CLPB PROTEIN

(Thermus
thermophilus) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 GLU A 257
TYR A 150
GLU A 154
ARG A  48
 None
 1.40A 4r87J-1qvrA:
0.2
4r87L-1qvrA:
0.0		 4r87J-1qvrA:
12.43
4r87L-1qvrA:
12.43
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.
1u5s CYTOPLASMIC PROTEIN
NCK2

(Homo sapiens) 		PF00018
(SH3_1) 		4 TRP A  43
GLU A  22
GLU A  21
GLU A  20
 None
 1.44A 4r87J-1u5sA:
undetectable
4r87L-1u5sA:
undetectable		 4r87J-1u5sA:
17.78
4r87L-1u5sA:
17.78
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.
2bnx DIAPHANOUS PROTEIN
HOMOLOG 1

(Mus musculus) 		PF06367
(Drf_FH3)
PF06371
(Drf_GBD) 		4 MET A 280
GLU A 276
GLU A 230
GLU A 229
 None
 1.48A 4r87J-2bnxA:
0.0
4r87L-2bnxA:
0.0		 4r87J-2bnxA:
19.38
4r87L-2bnxA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dr1 386AA LONG
HYPOTHETICAL SERINE
AMINOTRANSFERASE

(Pyrococcus
horikoshii) 		PF00266
(Aminotran_5) 		4 MET A  56
GLU A 252
TYR A 247
GLU A 250
 None
 1.27A 4r87J-2dr1A:
0.0
4r87L-2dr1A:
0.0		 4r87J-2dr1A:
17.53
4r87L-2dr1A:
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.
2dw4 LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		4 MET A 377
GLU A 381
GLU A 420
ARG A 526
 None
 1.30A 4r87J-2dw4A:
undetectable
4r87L-2dw4A:
undetectable		 4r87J-2dw4A:
14.29
4r87L-2dw4A:
14.29
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.
2gy5 ANGIOPOIETIN-1
RECEPTOR

(Homo sapiens) 		PF10430
(Ig_Tie2_1) 		4 TRP A 216
GLU A 239
GLU A 381
GLU A 382
 None
 1.31A 4r87J-2gy5A:
undetectable
4r87L-2gy5A:
undetectable		 4r87J-2gy5A:
16.30
4r87L-2gy5A:
16.30
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.
2hyk BETA-1,3-GLUCANASE

(Nocardiopsis
sp. F96) 		PF00722
(Glyco_hydro_16) 		4 MET A 127
GLU A 128
GLU A  41
ARG A  76
 None
GOL  A 249 ( 3.1A)
None
None
 1.27A 4r87J-2hykA:
undetectable
4r87L-2hykA:
undetectable		 4r87J-2hykA:
19.18
4r87L-2hykA:
19.18
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.
2iqx PHOSPHATIDYLETHANOLA
MINE-BINDING PROTEIN
1

(Rattus
norvegicus) 		PF01161
(PBP) 		4 GLU A 128
TYR A 125
GLU A 126
ARG A 155
 None
 1.21A 4r87J-2iqxA:
undetectable
4r87L-2iqxA:
undetectable		 4r87J-2iqxA:
21.89
4r87L-2iqxA:
21.89
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.
2m0g SPLICING FACTOR U2AF
65 KDA SUBUNIT

(Homo sapiens) 		PF00076
(RRM_1) 		4 GLU B 393
TYR B 395
GLU B 396
ARG B 419
 None
 1.25A 4r87J-2m0gB:
undetectable
4r87L-2m0gB:
undetectable		 4r87J-2m0gB:
23.31
4r87L-2m0gB:
23.31
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.
2vy0 ENDO-BETA-1,3-GLUCAN
ASE

(Pyrococcus
furiosus) 		PF00722
(Glyco_hydro_16) 		4 MET A 174
GLU A 175
GLU A  83
ARG A 122
 None
MPD  A1299 (-3.4A)
MPD  A1299 (-4.2A)
MPD  A1299 (-3.7A)
 1.32A 4r87J-2vy0A:
undetectable
4r87L-2vy0A:
undetectable		 4r87J-2vy0A:
18.94
4r87L-2vy0A:
18.94
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.
3a6p EXPORTIN-5

(Homo sapiens) 		PF08389
(Xpo1) 		4 MET A 964
TYR A 886
GLU A 809
ARG A 887
 None
 1.33A 4r87J-3a6pA:
undetectable
4r87L-3a6pA:
undetectable		 4r87J-3a6pA:
9.14
4r87L-3a6pA:
9.14
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.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		4 GLU A 298
TYR A 252
GLU A 297
ARG A 182
 None
 1.24A 4r87J-3auoA:
undetectable
4r87L-3auoA:
undetectable		 4r87J-3auoA:
15.49
4r87L-3auoA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddv TRANSCRIPTIONAL
REGULATOR (GNTR
FAMILY)

(Enterococcus
faecalis) 		PF07702
(UTRA) 		4 MET A  37
GLU A  51
TYR A 129
GLU A 128
 None
 1.49A 4r87J-3ddvA:
undetectable
4r87L-3ddvA:
undetectable		 4r87J-3ddvA:
20.79
4r87L-3ddvA:
20.79
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.
3dgt ENDO-1,3-BETA-GLUCAN
ASE

(Streptomyces
sioyaensis) 		PF00722
(Glyco_hydro_16) 		4 MET A 146
GLU A 147
GLU A  49
ARG A  84
 None
 1.43A 4r87J-3dgtA:
undetectable
4r87L-3dgtA:
undetectable		 4r87J-3dgtA:
17.44
4r87L-3dgtA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dy5 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 TRP A   3
GLU A 224
GLU A 140
ARG A 213
 None
 1.36A 4r87J-3dy5A:
undetectable
4r87L-3dy5A:
undetectable		 4r87J-3dy5A:
9.66
4r87L-3dy5A:
9.66
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.
3fob BROMOPEROXIDASE

(Bacillus
anthracis) 		PF00561
(Abhydrolase_1) 		4 TYR A  72
GLU A  70
GLU A   9
ARG A  60
 None
 1.19A 4r87J-3fobA:
1.3
4r87L-3fobA:
undetectable		 4r87J-3fobA:
18.91
4r87L-3fobA:
18.91
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.
3guv SITE-SPECIFIC
RECOMBINASE,
RESOLVASE FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF00239
(Resolvase) 		4 GLU A  48
TYR A  47
GLU A  46
ARG A  65
 None
 1.19A 4r87J-3guvA:
undetectable
4r87L-3guvA:
undetectable		 4r87J-3guvA:
19.25
4r87L-3guvA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h7v O-SUCCINYLBENZOATE
SYNTHASE

(Thermosynechococcus
elongatus) 		PF13378
(MR_MLE_C) 		4 TRP A 135
GLU A 145
GLU A 143
ARG A 177
 None
 1.46A 4r87J-3h7vA:
undetectable
4r87L-3h7vA:
undetectable		 4r87J-3h7vA:
19.08
4r87L-3h7vA:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hxw ALANYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF01411
(tRNA-synt_2c) 		4 GLU A 137
TYR A 139
GLU A 140
ARG A 155
 None
 1.23A 4r87J-3hxwA:
1.2
4r87L-3hxwA:
undetectable		 4r87J-3hxwA:
18.10
4r87L-3hxwA:
18.10
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.
3mq9 BONE MARROW STROMAL
ANTIGEN 2 FUSED TO
MALTOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8)
PF16716
(BST2) 		4 MET A 336
TRP A 340
TYR A 171
GLU A 328
 None
 1.31A 4r87J-3mq9A:
undetectable
4r87L-3mq9A:
undetectable		 4r87J-3mq9A:
16.49
4r87L-3mq9A:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v85 CYTH-LIKE
PHOSPHATASE

(Arabidopsis
thaliana) 		PF01928
(CYTH) 		4 GLU A  90
GLU A 171
GLU A   4
ARG A 143
 None
None
CIT  A 301 ( 3.9A)
CIT  A 301 (-3.0A)
 1.48A 4r87J-3v85A:
undetectable
4r87L-3v85A:
undetectable		 4r87J-3v85A:
23.00
4r87L-3v85A:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vx6 E1

(Kluyveromyces
marxianus) 		PF16420
(ATG7_N) 		4 GLU A 240
TYR A 227
GLU A 242
ARG A 224
 None
 1.30A 4r87J-3vx6A:
undetectable
4r87L-3vx6A:
undetectable		 4r87J-3vx6A:
21.51
4r87L-3vx6A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w08 ALDOXIME DEHYDRATASE

(Pseudomonas
chlororaphis) 		PF13816
(Dehydratase_hem) 		4 GLU A  21
TYR A  23
GLU A 167
GLU A 168
 None
 1.21A 4r87J-3w08A:
undetectable
4r87L-3w08A:
undetectable		 4r87J-3w08A:
19.54
4r87L-3w08A:
19.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wr7 SPERMIDINE
N1-ACETYLTRANSFERASE

(Escherichia
coli) 		PF13302
(Acetyltransf_3) 		6 MET A  28
TRP A  31
GLU A  33
TYR A  36
GLU A  37
GLU A  41
 None
COA  A 202 (-4.8A)
SPD  A 201 (-3.9A)
SPD  A 201 (-4.6A)
None
SPD  A 201 (-3.1A)
 0.76A 4r87J-3wr7A:
28.0
4r87L-3wr7A:
27.9		 4r87J-3wr7A:
57.06
4r87L-3wr7A:
57.06
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.
4dxb MALTOSE-BINDING
PERIPLASMIC PROTEIN,
BETA-LACTAMASE TEM
CHIMERA

(Escherichia
coli) 		PF01547
(SBP_bac_1)
PF13354
(Beta-lactamase2) 		4 MET A 603
TRP A 607
TYR A 171
GLU A 595
 None
 1.34A 4r87J-4dxbA:
undetectable
4r87L-4dxbA:
undetectable		 4r87J-4dxbA:
13.58
4r87L-4dxbA:
13.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fu0 D-ALANINE--D-ALANINE
LIGASE 7

(Enterococcus
faecalis) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		4 GLU A  16
TYR A  17
GLU A  18
ARG A  45
 None
 1.48A 4r87J-4fu0A:
undetectable
4r87L-4fu0A:
undetectable		 4r87J-4fu0A:
20.57
4r87L-4fu0A:
20.57
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.
4fx5 VON WILLEBRAND
FACTOR TYPE A

(Catenulispora
acidiphila) 		PF13768
(VWA_3) 		4 TRP A 141
GLU A 201
GLU A 198
ARG A 203
 None
 1.46A 4r87J-4fx5A:
undetectable
4r87L-4fx5A:
undetectable		 4r87J-4fx5A:
15.95
4r87L-4fx5A:
15.95
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.
4giz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
UBIQUITIN LIGASE
EA6P: CHIMERIC
PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF01547
(SBP_bac_1) 		4 MET A 337
TRP A 341
TYR A 172
GLU A 329
 None
CEY  A 400 (-3.8A)
None
None
 1.47A 4r87J-4gizA:
undetectable
4r87L-4gizA:
undetectable		 4r87J-4gizA:
18.23
4r87L-4gizA:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h62 MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 17

(Saccharomyces
cerevisiae) 		PF10156
(Med17) 		4 MET Q 411
GLU Q 408
GLU Q 477
GLU Q 475
 None
 1.43A 4r87J-4h62Q:
undetectable
4r87L-4h62Q:
undetectable		 4r87J-4h62Q:
21.41
4r87L-4h62Q:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ifp MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NACHT, LRR
AND PYD
DOMAINS-CONTAINING
PROTEIN 1

(Escherichia
coli;
Homo sapiens) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		4 TYR A 342
GLU A 380
GLU A  46
ARG A 345
 None
 1.29A 4r87J-4ifpA:
undetectable
4r87L-4ifpA:
undetectable		 4r87J-4ifpA:
16.48
4r87L-4ifpA:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lds BICYCLOMYCIN
RESISTANCE PROTEIN
TCAB

(Staphylococcus
epidermidis) 		PF00083
(Sugar_tr) 		4 MET A 366
GLU A 216
GLU A 213
ARG A 186
 None
 1.43A 4r87J-4ldsA:
undetectable
4r87L-4ldsA:
undetectable		 4r87J-4ldsA:
16.81
4r87L-4ldsA:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mec HEME OXYGENASE 1

(Rattus
norvegicus) 		PF01126
(Heme_oxygenase) 		4 MET A  93
TRP A 101
GLU A  62
ARG A  85
 None
 1.49A 4r87J-4mecA:
undetectable
4r87L-4mecA:
undetectable		 4r87J-4mecA:
21.28
4r87L-4mecA:
21.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mi4 SPERMIDINE
N1-ACETYLTRANSFERASE

(Vibrio cholerae) 		PF13302
(Acetyltransf_3) 		5 MET A  28
TRP A  31
GLU A  33
GLU A  37
GLU A  41
 SPM  A 201 ( 4.5A)
None
SPM  A 201 (-3.2A)
SPM  A 201 (-3.5A)
SPM  A 201 (-2.8A)
 0.90A 4r87J-4mi4A:
29.6
4r87L-4mi4A:
29.4		 4r87J-4mi4A:
100.00
4r87L-4mi4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mi4 SPERMIDINE
N1-ACETYLTRANSFERASE

(Vibrio cholerae) 		PF13302
(Acetyltransf_3) 		5 MET A  28
TRP A  31
TYR A  36
GLU A  37
GLU A  41
 SPM  A 201 ( 4.5A)
None
SPM  A 201 (-4.7A)
SPM  A 201 (-3.5A)
SPM  A 201 (-2.8A)
 0.60A 4r87J-4mi4A:
29.6
4r87L-4mi4A:
29.4		 4r87J-4mi4A:
100.00
4r87L-4mi4A:
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.
4n2p PROTEIN ARCHEASE

(Pyrococcus
horikoshii) 		PF01951
(Archease) 		4 GLU A  55
TYR A  95
GLU A  57
ARG A  90
 None
 1.31A 4r87J-4n2pA:
undetectable
4r87L-4n2pA:
undetectable		 4r87J-4n2pA:
24.04
4r87L-4n2pA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wik SPLICING FACTOR,
PROLINE- AND
GLUTAMINE-RICH

(Homo sapiens) 		PF00076
(RRM_1)
PF08075
(NOPS) 		4 GLU A 475
TYR A 470
GLU A 473
ARG A 474
 None
 1.38A 4r87J-4wikA:
undetectable
4r87L-4wikA:
undetectable		 4r87J-4wikA:
20.34
4r87L-4wikA:
20.34
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.
4z9h METHYL-ACCEPTING
CHEMOTAXIS PROTEIN
II

(Escherichia
coli) 		PF02203
(TarH) 		4 MET A 116
TYR A 176
GLU A 173
ARG A  47
 None
 1.29A 4r87J-4z9hA:
undetectable
4r87L-4z9hA:
undetectable		 4r87J-4z9hA:
18.05
4r87L-4z9hA:
18.05
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.
4zad FDC1

(Candida
dubliniensis) 		PF01977
(UbiD) 		4 GLU A 242
TYR A 243
GLU A 240
ARG A 110
 None
None
MN  A 601 (-2.8A)
None
 1.43A 4r87J-4zadA:
undetectable
4r87L-4zadA:
undetectable		 4r87J-4zadA:
15.53
4r87L-4zadA:
15.53
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.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		4 MET A1232
TRP A1228
GLU A1242
TYR A1237
 None
 1.47A 4r87J-4zhjA:
undetectable
4r87L-4zhjA:
undetectable		 4r87J-4zhjA:
9.83
4r87L-4zhjA:
9.83
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.
5cxu FERULIC ACID
ESTERASE AMCE1/FAE1A

(Anaeromyces
mucronatus) 		PF00756
(Esterase) 		4 TRP A 255
GLU A  74
TYR A  68
GLU A  69
 None
 1.30A 4r87J-5cxuA:
undetectable
4r87L-5cxuA:
undetectable		 4r87J-5cxuA:
18.66
4r87L-5cxuA:
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.
5dz2 GERMACRADIENOL/GEOSM
IN SYNTHASE

(Streptomyces
coelicolor) 		no annotation 4 MET A 183
GLU A 161
GLU A 243
GLU A 237
 None
None
None
MG  A 402 ( 2.7A)
 1.24A 4r87J-5dz2A:
undetectable
4r87L-5dz2A:
undetectable		 4r87J-5dz2A:
19.29
4r87L-5dz2A:
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.
5ewu MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF02514
(CobN-Mg_chel) 		4 MET A1281
TRP A1277
GLU A1291
TYR A1286
 None
 1.23A 4r87J-5ewuA:
undetectable
4r87L-5ewuA:
undetectable		 4r87J-5ewuA:
19.85
4r87L-5ewuA:
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.
5gxv MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PIGG

(Escherichia
coli;
Serratia) 		PF13416
(SBP_bac_8) 		4 MET A 338
TRP A 342
TYR A 173
GLU A 330
 None
 1.46A 4r87J-5gxvA:
undetectable
4r87L-5gxvA:
undetectable		 4r87J-5gxvA:
17.69
4r87L-5gxvA:
17.69
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.
5ndz LYSOZYME,PROTEINASE-
ACTIVATED RECEPTOR
2,SOLUBLE CYTOCHROME
B562,PROTEINASE-ACTI
VATED RECEPTOR 2

(Escherichia
coli;
Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
PF07361
(Cytochrom_B562) 		4 MET A  95
TRP A  98
TYR A 345
ARG A 352
 None
 1.49A 4r87J-5ndzA:
undetectable
4r87L-5ndzA:
undetectable		 4r87J-5ndzA:
14.50
4r87L-5ndzA:
14.50
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.
5nx3 AMYLOID-BETA A4
PROTEIN

(Homo sapiens) 		no annotation 4 MET D  52
GLU D  48
TYR D  22
GLU D  27
 None
 1.24A 4r87J-5nx3D:
undetectable
4r87L-5nx3D:
undetectable		 4r87J-5nx3D:
11.11
4r87L-5nx3D:
11.11
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.
5uhe DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Mycobacterium
tuberculosis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 MET D 143
GLU D 147
TYR D 248
GLU D 250
 None
 1.42A 4r87J-5uheD:
undetectable
4r87L-5uheD:
undetectable		 4r87J-5uheD:
9.58
4r87L-5uheD:
9.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xtc NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
2, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT 3

(Homo sapiens) 		PF08122
(NDUF_B12)
PF14813
(NADH_B2) 		4 TRP Y  74
GLU Z  85
TYR Z  87
GLU Z  89
 None
 1.27A 4r87J-5xtcY:
undetectable
4r87L-5xtcY:
undetectable		 4r87J-5xtcY:
16.77
4r87L-5xtcY:
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.
5yim SDEA

(Legionella
pneumophila) 		no annotation 4 MET A 664
GLU A 667
GLU A 671
GLU A 737
 None
 1.34A 4r87J-5yimA:
undetectable
4r87L-5yimA:
undetectable		 4r87J-5yimA:
16.67
4r87L-5yimA:
16.67