SIMILAR PATTERNS OF AMINO ACIDS FOR 1MJL_A_SAMA200

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.
1brw PROTEIN (PYRIMIDINE
NUCLEOSIDE
PHOSPHORYLASE)

(Geobacillus
stearothermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 GLU A 297
ARG A 293
LEU A 273
GLU A 270
HIS A 266
 None
 0.85A 1mjlA-1brwA:
undetectable
1mjlB-1brwA:
undetectable		 1mjlA-1brwA:
15.40
1mjlB-1brwA:
15.40
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.
1iok CHAPERONIN 60

(Paracoccus
denitrificans) 		PF00118
(Cpn60_TCP1) 		5 ALA A 441
GLU A 448
ARG A 470
ARG A 452
ALA A  98
 None
 1.30A 1mjlA-1iokA:
undetectable
1mjlB-1iokA:
0.5		 1mjlA-1iokA:
11.75
1mjlB-1iokA:
11.75
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.
1iq0 ARGINYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 ARG A   3
ARG A   4
LEU A 517
GLU A 521
ALA A 520
 None
 1.28A 1mjlA-1iq0A:
undetectable
1mjlB-1iq0A:
undetectable		 1mjlA-1iq0A:
10.92
1mjlB-1iq0A:
10.92
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.
1iq0 ARGINYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 HIS A 526
ARG A   4
LEU A 517
GLU A 521
ALA A 519
 None
 1.16A 1mjlA-1iq0A:
undetectable
1mjlB-1iq0A:
undetectable		 1mjlA-1iq0A:
10.92
1mjlB-1iq0A:
10.92
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.
1m22 PEPTIDE AMIDASE

(Stenotrophomonas
maltophilia) 		PF01425
(Amidase) 		5 ALA A 475
GLU A 471
LEU A 320
ALA A 452
LEU A 499
 None
 1.32A 1mjlA-1m22A:
undetectable
1mjlB-1m22A:
undetectable		 1mjlA-1m22A:
12.27
1mjlB-1m22A:
12.27
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.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		5 GLU A 195
ARG A 198
ARG A 199
GLU A 160
ALA A 164
 None
 1.27A 1mjlA-1m6yA:
undetectable
1mjlB-1m6yA:
0.7		 1mjlA-1m6yA:
17.28
1mjlB-1m6yA:
17.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mjl METHIONINE REPRESSOR
PROTEIN METJ

(Escherichia
coli) 		PF01340
(MetJ) 		8 GLU A  39
ARG A  42
ARG A  43
LEU A  56
GLU A  59
ALA A  60
HIS A  63
LEU A  70
 None
None
None
None
None
None
SAM  A 200 ( 2.9A)
None
 0.18A 1mjlA-1mjlA:
21.9
1mjlB-1mjlA:
14.6		 1mjlA-1mjlA:
100.00
1mjlB-1mjlA:
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.
1mzj BETA-KETOACYLSYNTHAS
E III

(Streptomyces
sp. R1128) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A  75
HIS A 142
ARG A  70
ARG A  69
LEU A 107
 None
 1.06A 1mjlA-1mzjA:
undetectable
1mjlB-1mzjA:
undetectable		 1mjlA-1mzjA:
14.16
1mjlB-1mzjA:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pko MYELIN
OLIGODENDROCYTE
GLYCOPROTEIN

(Rattus
norvegicus) 		PF07686
(V-set) 		5 GLU A  36
ARG A 101
ARG A  52
LEU A  50
GLU A  60
 None
 1.12A 1mjlA-1pkoA:
undetectable
1mjlB-1pkoA:
undetectable		 1mjlA-1pkoA:
23.40
1mjlB-1pkoA:
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.
1svx ANKYRIN REPEAT
PROTEIN OFF7

(-) 		PF00023
(Ank)
PF12796
(Ank_2) 		5 ALA A  71
HIS A  52
GLU A  64
ALA A  55
LEU A  99
 None
 1.32A 1mjlA-1svxA:
undetectable
1mjlB-1svxA:
undetectable		 1mjlA-1svxA:
17.58
1mjlB-1svxA:
17.58
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.
1svx ANKYRIN REPEAT
PROTEIN OFF7

(-) 		PF00023
(Ank)
PF12796
(Ank_2) 		5 ALA A  71
HIS A  52
GLU A  64
LEU A  60
LEU A  99
 None
 1.17A 1mjlA-1svxA:
undetectable
1mjlB-1svxA:
undetectable		 1mjlA-1svxA:
17.58
1mjlB-1svxA:
17.58
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.
1uiy ENOYL-COA HYDRATASE

(Thermus
thermophilus) 		PF00378
(ECH_1) 		5 ALA A 148
ARG A 162
GLU A 168
ALA A 169
LEU A 172
 None
 1.32A 1mjlA-1uiyA:
undetectable
1mjlB-1uiyA:
undetectable		 1mjlA-1uiyA:
18.83
1mjlB-1uiyA:
18.83
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.
1zbx ORIGIN RECOGNITION
COMPLEX SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF01426
(BAH) 		5 ALA A 204
GLU A  73
ARG A  75
ALA A  87
LEU A 138
 None
 1.08A 1mjlA-1zbxA:
undetectable
1mjlB-1zbxA:
undetectable		 1mjlA-1zbxA:
22.22
1mjlB-1zbxA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bkg SYNTHETIC CONSTRUCT
ANKYRIN REPEAT
PROTEIN E3_19

(synthetic
construct) 		PF12796
(Ank_2) 		5 ALA A  71
HIS A  52
LEU A  60
ALA A  55
LEU A  99
 None
 1.24A 1mjlA-2bkgA:
undetectable
1mjlB-2bkgA:
undetectable		 1mjlA-2bkgA:
21.82
1mjlB-2bkgA:
21.82
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.
2bvg 6-HYDROXY-D-NICOTINE
OXIDASE

(Paenarthrobacter
nicotinovorans) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ALA A  99
LEU A 159
GLU A 199
ALA A 103
HIS A  95
 None
 1.18A 1mjlA-2bvgA:
undetectable
1mjlB-2bvgA:
undetectable		 1mjlA-2bvgA:
12.90
1mjlB-2bvgA:
12.90
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.
2bwj ADENYLATE KINASE 5

(Homo sapiens) 		PF00406
(ADK) 		5 GLU A  49
ARG A  56
LEU A  78
GLU A  81
ALA A  82
 None
 0.93A 1mjlA-2bwjA:
undetectable
1mjlB-2bwjA:
undetectable		 1mjlA-2bwjA:
22.70
1mjlB-2bwjA:
22.70
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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		5 ALA A 188
GLU A 305
ARG A 308
LEU A 309
GLU A 313
 None
None
FMT  A1797 ( 4.4A)
None
None
 1.29A 1mjlA-2c4mA:
undetectable
1mjlB-2c4mA:
undetectable		 1mjlA-2c4mA:
9.53
1mjlB-2c4mA:
9.53
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.
2d7d UVRABC SYSTEM
PROTEIN B

(Bacillus
subtilis) 		PF00271
(Helicase_C)
PF02151
(UVR)
PF04851
(ResIII)
PF12344
(UvrB) 		5 GLU A 566
ARG A 569
GLU A 409
ALA A  40
LEU A  38
 None
 1.34A 1mjlA-2d7dA:
undetectable
1mjlB-2d7dA:
undetectable		 1mjlA-2d7dA:
10.69
1mjlB-2d7dA:
10.69
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.
2hi0 PUTATIVE
PHOSPHOGLYCOLATE
PHOSPHATASE

(Lactobacillus
delbrueckii) 		PF13419
(HAD_2) 		5 GLU A  88
ARG A  91
LEU A  59
GLU A  62
ALA A  63
 None
 0.86A 1mjlA-2hi0A:
undetectable
1mjlB-2hi0A:
undetectable		 1mjlA-2hi0A:
17.98
1mjlB-2hi0A:
17.98
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.
2ivd PROTOPORPHYRINOGEN
OXIDASE

(Myxococcus
xanthus) 		PF01593
(Amino_oxidase) 		5 ALA A 394
GLU A 389
ARG A 339
ARG A 340
LEU A 385
 None
 1.25A 1mjlA-2ivdA:
undetectable
1mjlB-2ivdA:
undetectable		 1mjlA-2ivdA:
11.78
1mjlB-2ivdA:
11.78
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.
2nn6 EXOSOME COMPONENT 6

(Homo sapiens) 		PF01138
(RNase_PH) 		5 ALA F 214
LEU F 122
GLU F 121
ALA F 125
LEU F 226
 None
 1.19A 1mjlA-2nn6F:
undetectable
1mjlB-2nn6F:
undetectable		 1mjlA-2nn6F:
17.58
1mjlB-2nn6F:
17.58
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.
2rfa TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 6

(Mus musculus) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		5 ALA A 120
ARG A  75
LEU A  50
ALA A  53
LEU A  98
 None
 1.35A 1mjlA-2rfaA:
undetectable
1mjlB-2rfaA:
undetectable		 1mjlA-2rfaA:
16.38
1mjlB-2rfaA:
16.38
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.
2rhk NON-STRUCTURAL
PROTEIN 1

(Influenza A
virus) 		PF00600
(Flu_NS1) 		5 ALA A 177
GLU A 159
ARG A 118
ALA A 132
LEU A 144
 None
 1.32A 1mjlA-2rhkA:
undetectable
1mjlB-2rhkA:
undetectable		 1mjlA-2rhkA:
23.74
1mjlB-2rhkA:
23.74
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.
2wja PUTATIVE ACID
PHOSPHATASE WZB

(Escherichia
coli) 		PF01451
(LMWPc) 		5 ALA A  43
HIS A  47
ARG A  25
LEU A  64
ALA A  48
 None
NI  A1149 (-3.6A)
None
None
None
 1.28A 1mjlA-2wjaA:
undetectable
1mjlB-2wjaA:
undetectable		 1mjlA-2wjaA:
21.84
1mjlB-2wjaA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x3n PROBABLE
FAD-DEPENDENT
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		5 GLU A  65
ARG A  68
ARG A  69
LEU A 111
GLU A 114
 None
 1.14A 1mjlA-2x3nA:
undetectable
1mjlB-2x3nA:
undetectable		 1mjlA-2x3nA:
14.03
1mjlB-2x3nA:
14.03
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.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 PHE A 664
ARG A 657
LEU A 650
GLU A 274
ALA A 273
 None
 1.20A 1mjlA-2x58A:
undetectable
1mjlB-2x58A:
undetectable		 1mjlA-2x58A:
8.75
1mjlB-2x58A:
8.75
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.
2xe4 OLIGOPEPTIDASE B

(Leishmania
major) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ALA A 599
ARG A 678
GLU A  68
ALA A 671
LEU A 689
 None
 0.94A 1mjlA-2xe4A:
undetectable
1mjlB-2xe4A:
undetectable		 1mjlA-2xe4A:
9.67
1mjlB-2xe4A:
9.67
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.
2y1l DARPIN-8.4

(synthetic
construct) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		5 ALA E  71
HIS E  52
GLU E  64
ALA E  55
LEU E  99
 None
 1.31A 1mjlA-2y1lE:
undetectable
1mjlB-2y1lE:
undetectable		 1mjlA-2y1lE:
19.32
1mjlB-2y1lE:
19.32
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.
2y1l DARPIN-8.4

(synthetic
construct) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		5 ALA E  71
HIS E  52
GLU E  64
LEU E  60
LEU E  99
 None
 1.13A 1mjlA-2y1lE:
undetectable
1mjlB-2y1lE:
undetectable		 1mjlA-2y1lE:
19.32
1mjlB-2y1lE:
19.32
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.
2y4r 4-AMINO-4-DEOXYCHORI
SMATE LYASE

(Pseudomonas
aeruginosa) 		PF01063
(Aminotran_4) 		5 GLU A  49
ARG A  52
ARG A  53
LEU A 139
ALA A 198
 PG4  A1272 (-3.6A)
None
PG4  A1272 ( 4.5A)
None
PG4  A1272 ( 4.1A)
 1.14A 1mjlA-2y4rA:
undetectable
1mjlB-2y4rA:
undetectable		 1mjlA-2y4rA:
16.85
1mjlB-2y4rA:
16.85
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.
2z61 PROBABLE ASPARTATE
AMINOTRANSFERASE 2

(Methanocaldococcus
jannaschii) 		PF00155
(Aminotran_1_2) 		5 ARG A  72
ARG A  66
LEU A 245
GLU A 242
ALA A 243
 None
 1.23A 1mjlA-2z61A:
undetectable
1mjlB-2z61A:
undetectable		 1mjlA-2z61A:
15.15
1mjlB-2z61A:
15.15
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.
3al2 DNA TOPOISOMERASE
2-BINDING PROTEIN 1

(Homo sapiens) 		PF00533
(BRCT) 		5 ALA A1420
HIS A1436
LEU A1430
GLU A1433
ALA A1434
 None
 0.93A 1mjlA-3al2A:
undetectable
1mjlB-3al2A:
undetectable		 1mjlA-3al2A:
18.80
1mjlB-3al2A:
18.80
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.
3bgw DNAB-LIKE
REPLICATIVE HELICASE

(Bacillus phage
SPP1) 		PF00772
(DnaB)
PF03796
(DnaB_C) 		5 ALA A 201
GLU A 376
ARG A 375
ARG A 329
LEU A 317
 None
 1.35A 1mjlA-3bgwA:
undetectable
1mjlB-3bgwA:
undetectable		 1mjlA-3bgwA:
13.85
1mjlB-3bgwA:
13.85
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.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLU A 163
ARG A 166
ARG A 167
LEU A 159
ALA A  49
 None
 1.31A 1mjlA-3bo5A:
undetectable
1mjlB-3bo5A:
undetectable		 1mjlA-3bo5A:
14.08
1mjlB-3bo5A:
14.08
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.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLU A 163
ARG A 166
ARG A 167
LEU A 159
GLU A 157
 None
 0.71A 1mjlA-3bo5A:
undetectable
1mjlB-3bo5A:
undetectable		 1mjlA-3bo5A:
14.08
1mjlB-3bo5A:
14.08
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.
3brz TODX

(Pseudomonas
putida) 		PF03349
(Toluene_X) 		5 ALA A 252
PHE A 315
LEU A 190
ALA A 200
HIS A 201
 None
None
C8E  A 501 ( 4.2A)
C8E  A 501 (-3.2A)
None
 1.18A 1mjlA-3brzA:
undetectable
1mjlB-3brzA:
undetectable		 1mjlA-3brzA:
11.85
1mjlB-3brzA:
11.85
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.
3d36 SPORULATION KINASE B

(Geobacillus
stearothermophilus) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		5 GLU A 279
ARG A 282
ARG A 311
LEU A 274
GLU A 272
 None
 1.35A 1mjlA-3d36A:
undetectable
1mjlB-3d36A:
undetectable		 1mjlA-3d36A:
18.61
1mjlB-3d36A:
18.61
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.
3dcp HISTIDINOL-PHOSPHATA
SE

(Listeria
monocytogenes) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 HIS A 123
PHE A 136
GLU A  56
ALA A  61
HIS A  40
 FE  A 310 (-3.3A)
None
None
None
ZN  A 301 (-3.5A)
 1.00A 1mjlA-3dcpA:
undetectable
1mjlB-3dcpA:
undetectable		 1mjlA-3dcpA:
16.86
1mjlB-3dcpA:
16.86
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.
3e1t HALOGENASE

(Chondromyces
crocatus) 		PF04820
(Trp_halogenase) 		5 GLU A 122
ARG A 119
LEU A 118
GLU A 130
HIS A 132
 None
 1.32A 1mjlA-3e1tA:
undetectable
1mjlB-3e1tA:
undetectable		 1mjlA-3e1tA:
11.07
1mjlB-3e1tA:
11.07
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.
3ee9 NON-STRUCTURAL
PROTEIN 1

(Influenza A
virus) 		PF00600
(Flu_NS1) 		5 ALA A 177
GLU A 159
ARG A 118
ALA A 132
LEU A 144
 None
 1.21A 1mjlA-3ee9A:
undetectable
1mjlB-3ee9A:
undetectable		 1mjlA-3ee9A:
19.84
1mjlB-3ee9A:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gfm 146AA LONG
HYPOTHETICAL
TRANSCRIPTIONAL
REGULATOR

(Sulfurisphaera
tokodaii) 		PF13463
(HTH_27) 		5 GLU A  25
ARG A  28
ARG A  29
LEU A 114
GLU A 117
 None
 0.83A 1mjlA-3gfmA:
undetectable
1mjlB-3gfmA:
undetectable		 1mjlA-3gfmA:
20.27
1mjlB-3gfmA:
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.
3gjb CYTC3

(Streptomyces
sp.) 		PF05721
(PhyH) 		5 ALA A 258
ARG A  40
LEU A  76
GLU A  79
ALA A  78
 None
 1.19A 1mjlA-3gjbA:
undetectable
1mjlB-3gjbA:
undetectable		 1mjlA-3gjbA:
18.97
1mjlB-3gjbA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3go9 INSULINASE FAMILY
PROTEASE

(Yersinia pestis) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 HIS A 309
PHE A 372
LEU A 301
GLU A 304
ALA A 305
 ZN  A 603 (-3.2A)
None
None
None
None
 1.31A 1mjlA-3go9A:
undetectable
1mjlB-3go9A:
undetectable		 1mjlA-3go9A:
10.88
1mjlB-3go9A:
10.88
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.
3hww 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Escherichia
coli) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		5 ALA A 438
ARG A 430
LEU A  61
ALA A 451
LEU A 455
 None
 1.16A 1mjlA-3hwwA:
undetectable
1mjlB-3hwwA:
undetectable		 1mjlA-3hwwA:
11.01
1mjlB-3hwwA:
11.01
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF17
PRE-MRNA-SPLICING
FACTOR CDC5
PRE-MRNA-SPLICING
FACTOR CWF7

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF00400
(WD40)
PF13921
(Myb_DNA-bind_6)
PF01423
(LSM) 		5 GLU i 165
ARG L 282
GLU W 733
ALA W 732
LEU W 729
 None
 1.34A 1mjlA-3jb9i:
undetectable
1mjlB-3jb9i:
undetectable		 1mjlA-3jb9i:
20.86
1mjlB-3jb9i:
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.
3m5r NONSTRUCTURAL
PROTEIN 1

(Influenza A
virus) 		PF00600
(Flu_NS1) 		5 ALA A 177
GLU A 159
ARG A 118
ALA A 132
LEU A 144
 None
 1.17A 1mjlA-3m5rA:
undetectable
1mjlB-3m5rA:
undetectable		 1mjlA-3m5rA:
21.48
1mjlB-3m5rA:
21.48
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.
3n2t PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF00248
(Aldo_ket_red) 		5 ALA A 207
ARG A  17
GLU A 199
ALA A 198
LEU A 195
 None
 1.31A 1mjlA-3n2tA:
undetectable
1mjlB-3n2tA:
undetectable		 1mjlA-3n2tA:
17.65
1mjlB-3n2tA:
17.65
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.
3p1z TRNA-SPLICING
ENDONUCLEASE

(Aeropyrum
pernix) 		PF01974
(tRNA_int_endo)
PF02778
(tRNA_int_endo_N) 		5 ALA B  88
GLU B  83
GLU B  66
ALA B  65
LEU B  62
 None
 1.25A 1mjlA-3p1zB:
undetectable
1mjlB-3p1zB:
undetectable		 1mjlA-3p1zB:
20.00
1mjlB-3p1zB:
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.
3qxz ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacteroides
abscessus) 		PF00378
(ECH_1) 		5 ALA A  90
ARG A  41
GLU A   7
ALA A  14
LEU A  16
 None
 1.14A 1mjlA-3qxzA:
undetectable
1mjlB-3qxzA:
undetectable		 1mjlA-3qxzA:
21.89
1mjlB-3qxzA:
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.
3ss6 ACETYL-COA
ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 185
GLU A 363
ARG A 366
ARG A 367
LEU A 311
 None
 0.85A 1mjlA-3ss6A:
undetectable
1mjlB-3ss6A:
undetectable		 1mjlA-3ss6A:
14.77
1mjlB-3ss6A:
14.77
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.
3t6p BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF00619
(CARD)
PF00653
(BIR)
PF13920
(zf-C3HC4_3) 		5 GLU A 560
ARG A 563
ARG A 564
LEU A 556
GLU A 551
 None
 1.03A 1mjlA-3t6pA:
undetectable
1mjlB-3t6pA:
1.4		 1mjlA-3t6pA:
14.58
1mjlB-3t6pA:
14.58
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.
3tmc UNCHARACTERIZED
PROTEIN

(Bdellovibrio
bacteriovorus) 		PF13487
(HD_5) 		5 ALA A 266
HIS A 150
LEU A 176
ALA A 180
HIS A 183
 None
FE  A 310 ( 3.3A)
None
None
FE  A 310 (-3.4A)
 1.33A 1mjlA-3tmcA:
undetectable
1mjlB-3tmcA:
undetectable		 1mjlA-3tmcA:
16.16
1mjlB-3tmcA:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tox SHORT CHAIN
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 GLU A  31
ARG A   5
LEU A 232
GLU A 229
ALA A 228
 None
 0.98A 1mjlA-3toxA:
undetectable
1mjlB-3toxA:
undetectable		 1mjlA-3toxA:
15.36
1mjlB-3toxA:
15.36
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.
3uwc NUCLEOTIDE-SUGAR
AMINOTRANSFERASE

(Coxiella
burnetii) 		PF01041
(DegT_DnrJ_EryC1) 		5 ALA A 176
HIS A  48
ARG A 207
GLU A  41
ALA A  45
 None
 1.21A 1mjlA-3uwcA:
undetectable
1mjlB-3uwcA:
undetectable		 1mjlA-3uwcA:
15.13
1mjlB-3uwcA:
15.13
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.
3wfz LACTO-N-BIOSE
PHOSPHORYLASE

(Bifidobacterium
longum) 		PF09508
(Lact_bio_phlase)
PF17385
(LBP_M)
PF17386
(LBP_C) 		5 ALA A 435
HIS A 708
GLU A 705
ARG A 387
GLU A 681
 None
 1.30A 1mjlA-3wfzA:
undetectable
1mjlB-3wfzA:
undetectable		 1mjlA-3wfzA:
8.54
1mjlB-3wfzA:
8.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zf8 MANNAN POLYMERASE
COMPLEXES SUBUNIT
MNN9

(Saccharomyces
cerevisiae) 		PF03452
(Anp1) 		5 ALA A 256
PHE A 380
GLU A 330
LEU A 382
ALA A 259
 None
 1.31A 1mjlA-3zf8A:
undetectable
1mjlB-3zf8A:
undetectable		 1mjlA-3zf8A:
15.59
1mjlB-3zf8A:
15.59
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.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA C 178
GLU C 375
ARG C 378
ARG C 379
LEU C 323
 None
None
SO4  C1411 (-3.7A)
None
None
 0.76A 1mjlA-4b3iC:
undetectable
1mjlB-4b3iC:
undetectable		 1mjlA-4b3iC:
17.70
1mjlB-4b3iC:
17.70
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.
4beq ALANINE RACEMASE 2

(Vibrio cholerae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLU A 138
ARG A 119
LEU A 149
ALA A 153
LEU A 132
 None
 1.06A 1mjlA-4beqA:
undetectable
1mjlB-4beqA:
undetectable		 1mjlA-4beqA:
15.40
1mjlB-4beqA:
15.40
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 HIS A 141
GLU A 195
GLU A 147
ALA A 143
HIS A 142
 B3N  A 700 (-3.9A)
None
GOL  A 801 (-2.8A)
None
B3N  A 700 (-3.7A)
 1.34A 1mjlA-4bz7A:
undetectable
1mjlB-4bz7A:
undetectable		 1mjlA-4bz7A:
15.38
1mjlB-4bz7A:
15.38
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.
4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 192
GLU A 368
ARG A 371
ARG A 372
LEU A 316
 None
None
DTT  A1400 (-3.1A)
DTT  A1400 (-3.6A)
None
 1.29A 1mjlA-4c2kA:
undetectable
1mjlB-4c2kA:
undetectable		 1mjlA-4c2kA:
13.79
1mjlB-4c2kA:
13.79
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.
4fzd SERINE/THREONINE-PRO
TEIN KINASE MST4

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA B 213
ARG B 290
LEU B 287
ALA B 107
LEU B 111
 None
 1.33A 1mjlA-4fzdB:
undetectable
1mjlB-4fzdB:
undetectable		 1mjlA-4fzdB:
19.40
1mjlB-4fzdB:
19.40
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.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 GLU A 235
ARG A 214
LEU A 238
GLU A 242
ALA A 241
 None
 1.30A 1mjlA-4gaaA:
undetectable
1mjlB-4gaaA:
0.4		 1mjlA-4gaaA:
11.54
1mjlB-4gaaA:
11.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hh8 BUTYROPHILIN
SUBFAMILY 1 MEMBER
A1

(Bos taurus) 		PF07686
(V-set)
PF08205
(C2-set_2) 		5 GLU A  36
ARG A 101
ARG A  52
LEU A  50
GLU A  60
 None
 1.20A 1mjlA-4hh8A:
undetectable
1mjlB-4hh8A:
undetectable		 1mjlA-4hh8A:
18.26
1mjlB-4hh8A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hh8 BUTYROPHILIN
SUBFAMILY 1 MEMBER
A1

(Bos taurus) 		PF07686
(V-set)
PF08205
(C2-set_2) 		5 PHE A  99
GLU A  36
ARG A  52
LEU A  50
GLU A  60
 None
 1.10A 1mjlA-4hh8A:
undetectable
1mjlB-4hh8A:
undetectable		 1mjlA-4hh8A:
18.26
1mjlB-4hh8A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas sp.
C18) 		PF00866
(Ring_hydroxyl_B) 		5 ALA B 124
ARG B 175
LEU B 172
GLU B  40
LEU B  37
 None
 0.99A 1mjlA-4hjlB:
undetectable
1mjlB-4hjlB:
undetectable		 1mjlA-4hjlB:
22.65
1mjlB-4hjlB:
22.65
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.
4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN

(Lactobacillus
acidophilus) 		PF06100
(MCRA) 		5 HIS A  86
GLU A  82
ARG A  81
LEU A 217
HIS A 206
 None
MPD  A 604 (-3.2A)
MPD  A 605 ( 4.1A)
MPD  A 604 (-4.6A)
None
 1.19A 1mjlA-4ia5A:
undetectable
1mjlB-4ia5A:
undetectable		 1mjlA-4ia5A:
11.84
1mjlB-4ia5A:
11.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k5a DESIGNED ANKYRIN
REPEAT PROTEIN
013_D12

(Escherichia
coli) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		5 ALA B 137
HIS B 118
GLU B 130
LEU B 126
LEU B 165
 None
 1.20A 1mjlA-4k5aB:
undetectable
1mjlB-4k5aB:
undetectable		 1mjlA-4k5aB:
20.71
1mjlB-4k5aB:
20.71
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.
4kto ISOVALERYL-COA
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A 261
GLU A  80
ARG A  22
ARG A  18
ALA A 253
 TRS  A 402 ( 3.9A)
None
None
None
None
 0.87A 1mjlA-4ktoA:
undetectable
1mjlB-4ktoA:
undetectable		 1mjlA-4ktoA:
16.52
1mjlB-4ktoA:
16.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l7w HD DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF13023
(HD_3) 		5 GLU A 146
ARG A  52
LEU A 149
GLU A 153
ALA A 151
 None
 1.19A 1mjlA-4l7wA:
undetectable
1mjlB-4l7wA:
undetectable		 1mjlA-4l7wA:
16.99
1mjlB-4l7wA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o5f TYPE III
PANTOTHENATE KINASE

(Burkholderia
thailandensis) 		PF03309
(Pan_kinase) 		5 GLU A 131
LEU A 107
ALA A 110
HIS A 244
LEU A 247
 None
None
None
GOL  A 307 (-3.9A)
None
 1.31A 1mjlA-4o5fA:
undetectable
1mjlB-4o5fA:
undetectable		 1mjlA-4o5fA:
16.13
1mjlB-4o5fA:
16.13
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.
4p7w L-PROLINE
CIS-4-HYDROXYLASE

(Mesorhizobium
japonicum) 		PF05118
(Asp_Arg_Hydrox)
PF05373
(Pro_3_hydrox_C) 		5 GLU A 247
ARG A 250
ARG A 251
LEU A 209
GLU A 206
 None
 0.84A 1mjlA-4p7wA:
undetectable
1mjlB-4p7wA:
undetectable		 1mjlA-4p7wA:
19.52
1mjlB-4p7wA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rlv ANKYRIN-1, ANKYRIN-2

(Homo sapiens;
Mus musculus) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5) 		5 ALA A2455
HIS A2436
LEU A2444
ALA A2439
LEU A2483
 None
None
SO4  A2906 (-4.3A)
None
None
 1.31A 1mjlA-4rlvA:
undetectable
1mjlB-4rlvA:
undetectable		 1mjlA-4rlvA:
8.96
1mjlB-4rlvA:
8.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5af7 ACYL-COA
DEHYDROGENASE

(Advenella
mimigardefordensis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 HIS A 355
GLU A  73
ARG A 300
LEU A 255
ALA A 258
 None
 1.24A 1mjlA-5af7A:
undetectable
1mjlB-5af7A:
undetectable		 1mjlA-5af7A:
13.23
1mjlB-5af7A:
13.23
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.
5b8h TYPE III
PANTOTHENATE KINASE

(Burkholderia
cenocepacia) 		PF03309
(Pan_kinase) 		5 GLU A 134
LEU A 110
ALA A 113
HIS A 243
LEU A 246
 None
 1.30A 1mjlA-5b8hA:
undetectable
1mjlB-5b8hA:
undetectable		 1mjlA-5b8hA:
14.83
1mjlB-5b8hA:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c5s UNCONVENTIONAL
MYOSIN-IXB

(Homo sapiens) 		PF00620
(RhoGAP) 		5 GLU A 136
ARG A 243
LEU A 139
GLU A 143
HIS A 145
 None
 1.34A 1mjlA-5c5sA:
undetectable
1mjlB-5c5sA:
undetectable		 1mjlA-5c5sA:
21.62
1mjlB-5c5sA:
21.62
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.
5c78 ATP-DRIVEN FLIPPASE
PGLK

(Campylobacter
jejuni) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 ALA A  91
GLU A  31
ARG A  86
ARG A 302
GLU A 156
 None
 1.29A 1mjlA-5c78A:
undetectable
1mjlB-5c78A:
undetectable		 1mjlA-5c78A:
11.50
1mjlB-5c78A:
11.50
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.
5fg3 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		5 GLU A 377
ARG A 132
ARG A  98
LEU A 357
GLU A 353
 None
 1.16A 1mjlA-5fg3A:
undetectable
1mjlB-5fg3A:
undetectable		 1mjlA-5fg3A:
9.97
1mjlB-5fg3A:
9.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fmt FLAGELLAR ASSOCIATED
PROTEIN

(Chlamydomonas
reinhardtii) 		PF10243
(MIP-T3) 		5 ALA A  92
PHE A 109
ARG A 115
LEU A  86
GLU A  88
 None
 1.26A 1mjlA-5fmtA:
undetectable
1mjlB-5fmtA:
undetectable		 1mjlA-5fmtA:
19.01
1mjlB-5fmtA:
19.01
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.
5fqd DNA DAMAGE-BINDING
PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 HIS A  22
PHE A  23
ARG A 103
LEU A  76
GLU A  72
 None
 1.34A 1mjlA-5fqdA:
undetectable
1mjlB-5fqdA:
undetectable		 1mjlA-5fqdA:
8.62
1mjlB-5fqdA:
8.62
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.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis) 		PF14592
(Chondroitinas_B) 		5 HIS A 563
PHE A 591
LEU A 661
ALA A 621
LEU A 618
 None
 1.30A 1mjlA-5gkqA:
undetectable
1mjlB-5gkqA:
undetectable		 1mjlA-5gkqA:
8.84
1mjlB-5gkqA:
8.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gmx CARBOXYLESTERASE

(uncultured
bacterium) 		PF00144
(Beta-lactamase) 		5 GLU A 171
ARG A 174
ARG A 175
GLU A 102
ALA A 146
 None
 0.88A 1mjlA-5gmxA:
undetectable
1mjlB-5gmxA:
undetectable		 1mjlA-5gmxA:
13.40
1mjlB-5gmxA:
13.40
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.
5jta NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 637
HIS A 633
ARG A 652
ALA A 605
LEU A 598
 None
 1.22A 1mjlA-5jtaA:
undetectable
1mjlB-5jtaA:
undetectable		 1mjlA-5jtaA:
10.27
1mjlB-5jtaA:
10.27
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.
5jta NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 637
HIS A 633
GLU A 599
ARG A 652
ALA A 605
 None
 1.11A 1mjlA-5jtaA:
undetectable
1mjlB-5jtaA:
undetectable		 1mjlA-5jtaA:
10.27
1mjlB-5jtaA:
10.27
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.
5kum ATP-SENSITIVE INWARD
RECTIFIER POTASSIUM
CHANNEL 12

(Gallus gallus) 		PF01007
(IRK) 		5 ALA A 230
GLU A 294
ARG A  44
LEU A 317
GLU A 320
 None
 1.00A 1mjlA-5kumA:
undetectable
1mjlB-5kumA:
undetectable		 1mjlA-5kumA:
12.87
1mjlB-5kumA:
12.87
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.
5l44 K-26 DIPEPTIDYL
CARBOXYPEPTIDASE

(Astrosporangium
hypotensionis) 		PF01432
(Peptidase_M3) 		5 GLU A 133
LEU A 137
GLU A  69
ALA A  66
LEU A 429
 None
 1.17A 1mjlA-5l44A:
undetectable
1mjlB-5l44A:
undetectable		 1mjlA-5l44A:
9.26
1mjlB-5l44A:
9.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5leb DDD_D12_06_D12_06_D1
2

(synthetic
construct) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		5 ALA A 441
HIS A 422
GLU A 434
ALA A 425
LEU A 469
 None
 1.35A 1mjlA-5lebA:
undetectable
1mjlB-5lebA:
undetectable		 1mjlA-5lebA:
13.99
1mjlB-5lebA:
13.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5leb DDD_D12_06_D12_06_D1
2

(synthetic
construct) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		5 ALA A 441
HIS A 422
GLU A 434
LEU A 430
LEU A 469
 None
 1.19A 1mjlA-5lebA:
undetectable
1mjlB-5lebA:
undetectable		 1mjlA-5lebA:
13.99
1mjlB-5lebA:
13.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m4a NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 637
HIS A 633
ARG A 652
ALA A 605
LEU A 598
 None
 1.21A 1mjlA-5m4aA:
undetectable
1mjlB-5m4aA:
undetectable		 1mjlA-5m4aA:
11.99
1mjlB-5m4aA:
11.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m4a NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 637
HIS A 633
GLU A 599
ARG A 652
ALA A 605
 None
 1.15A 1mjlA-5m4aA:
undetectable
1mjlB-5m4aA:
undetectable		 1mjlA-5m4aA:
11.99
1mjlB-5m4aA:
11.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ma6 3G124NC

(synthetic
construct) 		no annotation 5 ALA B 137
HIS B 118
LEU B 126
ALA B 121
LEU B 165
 None
 1.23A 1mjlA-5ma6B:
undetectable
1mjlB-5ma6B:
undetectable		 1mjlA-5ma6B:
undetectable
1mjlB-5ma6B:
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.
5mak R7

(synthetic
construct) 		no annotation 5 ALA A 137
HIS A 118
GLU A 130
LEU A 126
LEU A 165
 None
None
None
CIT  A 401 (-4.4A)
None
 1.18A 1mjlA-5makA:
undetectable
1mjlB-5makA:
undetectable		 1mjlA-5makA:
13.65
1mjlB-5makA:
13.65
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.
5mak R7

(synthetic
construct) 		no annotation 5 ALA A 274
HIS A 255
GLU A 267
ALA A 258
LEU A 302
 None
 1.34A 1mjlA-5makA:
undetectable
1mjlB-5makA:
undetectable		 1mjlA-5makA:
13.65
1mjlB-5makA:
13.65
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.
5mak R7

(synthetic
construct) 		no annotation 5 ALA A 274
HIS A 255
GLU A 267
LEU A 263
LEU A 302
 None
 1.13A 1mjlA-5makA:
undetectable
1mjlB-5makA:
undetectable		 1mjlA-5makA:
13.65
1mjlB-5makA:
13.65
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.
5op0 DNA POLYMERASE LIGD,
POLYMERASE DOMAIN

(Mycolicibacterium
smegmatis) 		no annotation 5 ALA B 307
GLU B 206
ARG B 210
LEU B 163
GLU B 166
 None
 1.12A 1mjlA-5op0B:
undetectable
1mjlB-5op0B:
undetectable		 1mjlA-5op0B:
17.30
1mjlB-5op0B:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xbp 3NT OXYGENASE BETA
SUBUNIT

(Diaphorobacter
sp. DS2) 		PF00866
(Ring_hydroxyl_B) 		5 ALA C 124
ARG C 175
LEU C 172
GLU C  40
LEU C  37
 None
 0.94A 1mjlA-5xbpC:
undetectable
1mjlB-5xbpC:
undetectable		 1mjlA-5xbpC:
19.54
1mjlB-5xbpC:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xxo PERIPLASMIC
BETA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 ALA A 425
ARG A 491
LEU A 496
GLU A 499
ALA A 500
 None
 1.20A 1mjlA-5xxoA:
undetectable
1mjlB-5xxoA:
undetectable		 1mjlA-5xxoA:
undetectable
1mjlB-5xxoA:
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.
5y4d ANKYRIN-1,ANKYRIN-2,
ANKYRIN-2

(Homo sapiens;
Mus musculus) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4) 		5 ALA A2455
HIS A2436
LEU A2444
ALA A2439
LEU A2483
 None
None
SO4  A2703 (-4.5A)
None
None
 1.33A 1mjlA-5y4dA:
undetectable
1mjlB-5y4dA:
undetectable		 1mjlA-5y4dA:
10.65
1mjlB-5y4dA:
10.65
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 5 GLU A  27
ARG A  71
GLU A  44
ALA A  41
LEU A  16
 None
 1.20A 1mjlA-5zw4A:
undetectable
1mjlB-5zw4A:
undetectable		 1mjlA-5zw4A:
undetectable
1mjlB-5zw4A:
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.
6con COA-TRANSFERASE
SUBUNIT BETA

(Mycobacterium
tuberculosis) 		no annotation 5 GLU B  14
ARG B  17
ARG B 224
ALA B   9
LEU B  37
 None
 1.32A 1mjlA-6conB:
undetectable
1mjlB-6conB:
undetectable		 1mjlA-6conB:
undetectable
1mjlB-6conB:
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.
6cxd PEPTIDASE B

(Yersinia pestis) 		no annotation 5 GLU A 100
ARG A 236
ARG A 104
LEU A  69
GLU A  70
 SO4  A 501 (-4.2A)
SO4  A 501 (-2.7A)
SO4  A 501 (-4.5A)
None
SO4  A 501 (-4.1A)
 1.28A 1mjlA-6cxdA:
undetectable
1mjlB-6cxdA:
undetectable		 1mjlA-6cxdA:
undetectable
1mjlB-6cxdA:
undetectable