SIMILAR PATTERNS OF AMINO ACIDS FOR 5OM3_B_DXTB501

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1as4 ANTICHYMOTRYPSIN

(Homo sapiens) 		PF00079
(Serpin) 		4 LEU A  37
SER A  36
PHE A  33
ASP A  32
 None
 1.09A 5om3A-1as4A:
49.8
5om3B-1as4A:
0.0		 5om3A-1as4A:
98.08
5om3B-1as4A:
9.49
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.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 LEU A 529
SER A 530
PHE A 566
ASP A 534
 None
 1.12A 5om3A-1h17A:
0.0
5om3B-1h17A:
0.0		 5om3A-1h17A:
9.87
5om3B-1h17A:
7.17
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.
1kgd PERIPHERAL PLASMA
MEMBRANE CASK

(Homo sapiens) 		PF00625
(Guanylate_kin) 		4 LEU A 740
PHE A 885
ASP A 886
HIS A 883
 None
 1.23A 5om3A-1kgdA:
0.0
5om3B-1kgdA:
0.0		 5om3A-1kgdA:
20.71
5om3B-1kgdA:
12.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		4 LEU A 242
SER A 243
PHE A 221
ASP A 222
 None
None
None
NAG  A 802 (-4.4A)
 0.89A 5om3A-1q5aA:
undetectable
5om3B-1q5aA:
0.0		 5om3A-1q5aA:
7.43
5om3B-1q5aA:
3.01
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.
1qhg ATP-DEPENDENT
HELICASE PCRA

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 LEU A 235
PHE A 203
ASP A 204
HIS A 211
 None
 1.07A 5om3A-1qhgA:
0.0
5om3B-1qhgA:
0.0		 5om3A-1qhgA:
9.52
5om3B-1qhgA:
4.19
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.
1qhh PROTEIN (PCRA
(SUBUNIT))

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 LEU B 235
PHE B 203
ASP B 204
HIS B 211
 None
 1.03A 5om3A-1qhhB:
0.0
5om3B-1qhhB:
undetectable		 5om3A-1qhhB:
14.71
5om3B-1qhhB:
8.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qmn ALPHA-1-ANTICHYMOTRY
PSIN

(Homo sapiens) 		PF00079
(Serpin) 		4 LEU A  37
SER A  36
PHE A  33
ASP A  32
 None
 1.09A 5om3A-1qmnA:
37.0
5om3B-1qmnA:
0.0		 5om3A-1qmnA:
85.00
5om3B-1qmnA:
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.
1u6g TIP120 PROTEIN

(Homo sapiens) 		PF08623
(TIP120) 		4 LEU C 752
SER C 753
ASP C 757
HIS C 848
 None
 0.77A 5om3A-1u6gC:
0.0
5om3B-1u6gC:
0.0		 5om3A-1u6gC:
5.34
5om3B-1u6gC:
2.59
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.
1v4l MUCROCETIN BETA
CHAIN

(Protobothrops
mucrosquamatus) 		PF00059
(Lectin_C) 		4 LEU B 309
SER B 301
PHE B 265
HIS B 263
 None
 1.14A 5om3A-1v4lB:
0.0
5om3B-1v4lB:
0.0		 5om3A-1v4lB:
19.69
5om3B-1v4lB:
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.
1wzc MANNOSYL-3-PHOSPHOGL
YCERATE PHOSPHATASE

(Pyrococcus
horikoshii) 		PF08282
(Hydrolase_3) 		4 LEU A 224
SER A 205
PHE A 209
ASP A 208
 None
None
None
MG  A 300 ( 4.4A)
 1.23A 5om3A-1wzcA:
undetectable
5om3B-1wzcA:
0.0		 5om3A-1wzcA:
13.25
5om3B-1wzcA:
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.
1xn6 HYPOTHETICAL PROTEIN
BC4709

(Bacillus cereus) 		PF08327
(AHSA1) 		4 LEU A  72
SER A  73
PHE A  74
HIS A 101
 None
 1.08A 5om3A-1xn6A:
undetectable
5om3B-1xn6A:
undetectable		 5om3A-1xn6A:
24.51
5om3B-1xn6A:
15.83
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.
1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 LEU A  87
SER A  88
PHE A  91
ASP A  92
 None
 0.97A 5om3A-1xpgA:
undetectable
5om3B-1xpgA:
undetectable		 5om3A-1xpgA:
7.43
5om3B-1xpgA:
4.47
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.
1xxl YCGJ PROTEIN

(Bacillus
subtilis) 		PF08241
(Methyltransf_11) 		4 LEU A 145
SER A 144
ASP A 125
HIS A 116
 None
 1.20A 5om3A-1xxlA:
undetectable
5om3B-1xxlA:
undetectable		 5om3A-1xxlA:
20.37
5om3B-1xxlA:
11.79
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.
1y79 PEPTIDYL-DIPEPTIDASE
DCP

(Escherichia
coli) 		PF01432
(Peptidase_M3) 		4 LEU 1 647
SER 1 648
PHE 1 479
HIS 1 402
 None
 0.82A 5om3A-1y791:
undetectable
5om3B-1y791:
undetectable		 5om3A-1y791:
8.55
5om3B-1y791:
5.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1yxa SERINE (OR CYSTEINE)
PROTEINASE
INHIBITOR, CLADE A,
MEMBER 3N

(Mus musculus) 		PF00079
(Serpin) 		4 LEU A  58
SER A  57
PHE A  54
ASP A  53
 None
 1.07A 5om3A-1yxaA:
37.4
5om3B-1yxaA:
undetectable		 5om3A-1yxaA:
51.22
5om3B-1yxaA:
6.11
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.
1z5x ULTRASPIRACLE
PROTEIN (USP) A
HOMOLOGUE OF RXR

(Bemisia tabaci) 		PF00104
(Hormone_recep) 		4 LEU U 410
SER U 407
PHE U 411
HIS U 323
 None
 1.08A 5om3A-1z5xU:
undetectable
5om3B-1z5xU:
undetectable		 5om3A-1z5xU:
16.26
5om3B-1z5xU:
8.49
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.
1z7c CHORIONIC
SOMATOMAMMOTROPIN
HORMONE

(Homo sapiens) 		PF00103
(Hormone_1) 		4 LEU A   6
SER A   7
PHE A  10
ASP A  11
 None
 0.70A 5om3A-1z7cA:
undetectable
5om3B-1z7cA:
undetectable		 5om3A-1z7cA:
18.54
5om3B-1z7cA:
13.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ad1 SULFOTRANSFERASE 1C2

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		4 LEU A 119
SER A 118
PHE A  35
HIS A  98
 None
 1.00A 5om3A-2ad1A:
undetectable
5om3B-2ad1A:
undetectable		 5om3A-2ad1A:
14.18
5om3B-2ad1A:
9.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ce9 TRANSDUCIN-LIKE
ENHANCER PROTEIN 1

(Homo sapiens) 		PF00400
(WD40) 		4 LEU A 722
SER A 736
PHE A 734
HIS A 474
 None
 1.04A 5om3A-2ce9A:
undetectable
5om3B-2ce9A:
undetectable		 5om3A-2ce9A:
12.00
5om3B-2ce9A:
9.40
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.
2gje MITOCHONDRIAL
RNA-BINDING PROTEIN
2

(Trypanosoma
brucei) 		PF09387
(MRP) 		4 LEU A 205
PHE A 197
ASP A 198
HIS A  89
 None
 1.01A 5om3A-2gjeA:
undetectable
5om3B-2gjeA:
undetectable		 5om3A-2gjeA:
17.02
5om3B-2gjeA:
22.34
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.
2hng HYPOTHETICAL PROTEIN

(Streptococcus
pneumoniae) 		PF06619
(DUF1149) 		4 LEU A  59
SER A  60
PHE A  61
HIS A  18
 None
 1.19A 5om3A-2hngA:
undetectable
5om3B-2hngA:
undetectable		 5om3A-2hngA:
19.67
5om3B-2hngA:
15.97
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.
2icw MYCOPLASMA
ARTHRITIDIS MITOGEN

(Mycoplasma
arthritidis) 		PF09245
(MA-Mit) 		4 LEU G  83
SER G  84
PHE G  87
ASP G  88
 None
 0.75A 5om3A-2icwG:
undetectable
5om3B-2icwG:
undetectable		 5om3A-2icwG:
19.52
5om3B-2icwG:
11.22
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.
2isa CATALASE

(Aliivibrio
salmonicida) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 LEU A 168
SER A 167
PHE A 164
ASP A 163
 None
 1.06A 5om3A-2isaA:
undetectable
5om3B-2isaA:
undetectable		 5om3A-2isaA:
12.05
5om3B-2isaA:
6.28
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.
2j44 ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF03714
(PUD) 		4 LEU A 134
SER A 133
PHE A 154
ASP A 153
 None
None
None
ZN  A1226 (-2.4A)
 1.20A 5om3A-2j44A:
undetectable
5om3B-2j44A:
undetectable		 5om3A-2j44A:
15.84
5om3B-2j44A:
9.30
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.
2jgp TYROCIDINE
SYNTHETASE 3

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		4 LEU A  66
PHE A  36
ASP A  35
HIS A  42
 None
None
None
SO4  A1524 (-3.6A)
 0.90A 5om3A-2jgpA:
undetectable
5om3B-2jgpA:
undetectable		 5om3A-2jgpA:
9.78
5om3B-2jgpA:
5.72
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.
2kmm GUANOSINE-3',5'-BIS(
DIPHOSPHATE)
3'-PYROPHOSPHOHYDROL
ASE

(Porphyromonas
gingivalis) 		PF02824
(TGS) 		4 LEU A 444
SER A 443
PHE A 440
ASP A 439
 None
 1.06A 5om3A-2kmmA:
undetectable
5om3B-2kmmA:
undetectable		 5om3A-2kmmA:
24.72
5om3B-2kmmA:
18.18
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.
2pjr PROTEIN (HELICASE
PCRA)

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 LEU A 235
PHE A 203
ASP A 204
HIS A 211
 None
 0.92A 5om3A-2pjrA:
undetectable
5om3B-2pjrA:
undetectable		 5om3A-2pjrA:
10.45
5om3B-2pjrA:
5.72
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.
2ws9 P1

(Equine rhinitis
A virus) 		PF00073
(Rhv) 		4 LEU 3  93
SER 3  94
PHE 3  97
HIS 3 218
 None
 1.17A 5om3A-2ws93:
undetectable
5om3B-2ws93:
undetectable		 5om3A-2ws93:
17.27
5om3B-2ws93:
11.39
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.
2ws9 P1

(Equine rhinitis
A virus) 		PF00073
(Rhv)
no annotation 		4 LEU 3 104
SER 3 103
PHE 3 214
HIS 1  25
 None
 1.22A 5om3A-2ws93:
undetectable
5om3B-2ws93:
undetectable		 5om3A-2ws93:
17.27
5om3B-2ws93:
11.39
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.
2wuq BETA-LACTAMASE
REGULATORY PROTEIN
BLAB

(Streptomyces
cacaoi) 		PF13354
(Beta-lactamase2) 		4 SER A 114
PHE A 118
ASP A 115
HIS A 142
 None
 1.20A 5om3A-2wuqA:
undetectable
5om3B-2wuqA:
undetectable		 5om3A-2wuqA:
11.01
5om3B-2wuqA:
8.36
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.
2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF03714
(PUD) 		4 LEU A 262
SER A 261
PHE A 282
ASP A 281
 None
 1.19A 5om3A-2ya1A:
undetectable
5om3B-2ya1A:
undetectable		 5om3A-2ya1A:
6.45
5om3B-2ya1A:
3.16
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.
2yug PROTEIN FRG1

(Mus musculus) 		PF06229
(FRG1) 		4 LEU A  84
SER A  78
PHE A  64
HIS A  38
 None
 1.22A 5om3A-2yugA:
undetectable
5om3B-2yugA:
undetectable		 5om3A-2yugA:
18.06
5om3B-2yugA:
18.52
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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 LEU A 125
PHE A 118
ASP A 119
HIS A 215
 None
None
THM  A6510 (-3.7A)
ZN  A5648 (-3.4A)
 1.10A 5om3A-2z1aA:
undetectable
5om3B-2z1aA:
undetectable		 5om3A-2z1aA:
10.20
5om3B-2z1aA:
5.41
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.
3cos ALCOHOL
DEHYDROGENASE 4

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 LEU A  22
PHE A 365
ASP A 366
HIS A  48
 None
None
None
NAD  A 400 (-3.8A)
 1.10A 5om3A-3cosA:
undetectable
5om3B-3cosA:
undetectable		 5om3A-3cosA:
10.90
5om3B-3cosA:
9.51
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.
3dtt NADP OXIDOREDUCTASE

(Arthrobacter
sp. FB24) 		PF03807
(F420_oxidored) 		4 LEU A  37
SER A  51
PHE A  50
HIS A  57
 None
 1.18A 5om3A-3dttA:
undetectable
5om3B-3dttA:
undetectable		 5om3A-3dttA:
18.22
5om3B-3dttA:
10.87
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.
3dup MUTT/NUDIX FAMILY
PROTEIN

(Rhodospirillum
rubrum) 		PF15916
(DUF4743) 		4 LEU A  55
SER A  56
PHE A  46
ASP A  47
 None
 1.13A 5om3A-3dupA:
undetectable
5om3B-3dupA:
undetectable		 5om3A-3dupA:
16.00
5om3B-3dupA:
9.27
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.
3h1w MANNOSE-6-PHOSPHATE
ISOMERASE

(Salmonella
enterica) 		PF01238
(PMI_typeI) 		4 LEU A 325
SER A 324
PHE A 314
ASP A 313
 None
 1.15A 5om3A-3h1wA:
undetectable
5om3B-3h1wA:
undetectable		 5om3A-3h1wA:
13.08
5om3B-3h1wA:
9.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hbn UDP-SUGAR HYDROLASE

(Campylobacter
jejuni) 		no annotation 4 LEU A  97
PHE A  99
ASP A 100
HIS A  17
 None
None
None
GOL  A 302 (-3.0A)
 1.20A 5om3A-3hbnA:
undetectable
5om3B-3hbnA:
undetectable		 5om3A-3hbnA:
14.89
5om3B-3hbnA:
11.44
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.
3hbn UDP-SUGAR HYDROLASE

(Campylobacter
jejuni) 		no annotation 4 LEU A  97
SER A  98
PHE A  99
HIS A  17
 None
None
None
GOL  A 302 (-3.0A)
 0.95A 5om3A-3hbnA:
undetectable
5om3B-3hbnA:
undetectable		 5om3A-3hbnA:
14.89
5om3B-3hbnA:
11.44
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.
3hhr HUMAN GROWTH HORMONE

(Homo sapiens) 		PF00103
(Hormone_1) 		4 LEU A   6
SER A   7
PHE A  10
ASP A  11
 None
 0.72A 5om3A-3hhrA:
undetectable
5om3B-3hhrA:
undetectable		 5om3A-3hhrA:
19.21
5om3B-3hhrA:
13.69
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.
3hie EXOCYST COMPLEX
COMPONENT SEC3

(Saccharomyces
cerevisiae) 		PF15277
(Sec3-PIP2_bind) 		4 LEU A 213
SER A 212
PHE A 209
HIS A 111
 None
 1.21A 5om3A-3hieA:
undetectable
5om3B-3hieA:
undetectable		 5om3A-3hieA:
18.13
5om3B-3hieA:
16.78
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.
3i0w 8-OXOGUANINE-DNA-GLY
COSYLASE

(Clostridium
acetobutylicum) 		PF00730
(HhH-GPD)
PF07934
(OGG_N) 		4 LEU A  23
PHE A  27
ASP A  28
HIS A  36
 EDO  A 295 (-3.9A)
None
None
None
 1.18A 5om3A-3i0wA:
undetectable
5om3B-3i0wA:
undetectable		 5om3A-3i0wA:
13.79
5om3B-3i0wA:
11.34
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.
3j0r PROTEIN MXIH

(Shigella
flexneri) 		PF09392
(T3SS_needle_F) 		4 LEU A  15
SER A  16
PHE A  19
ASP A  20
 None
 0.93A 5om3A-3j0rA:
undetectable
5om3B-3j0rA:
undetectable		 5om3A-3j0rA:
22.89
5om3B-3j0rA:
16.00
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.
3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN

(Klebsiella
pneumoniae) 		PF00149
(Metallophos) 		4 LEU A 111
PHE A 104
ASP A 173
HIS A 210
 None
None
EPE  A 341 ( 4.8A)
MN  A 342 (-3.5A)
 1.17A 5om3A-3jyfA:
undetectable
5om3B-3jyfA:
undetectable		 5om3A-3jyfA:
10.87
5om3B-3jyfA:
12.74
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.
3ln6 GLUTATHIONE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
GSHAB

(Streptococcus
agalactiae) 		PF01071
(GARS_A)
PF04262
(Glu_cys_ligase) 		4 LEU A 188
PHE A 284
ASP A 285
HIS A 144
 None
 0.88A 5om3A-3ln6A:
undetectable
5om3B-3ln6A:
undetectable		 5om3A-3ln6A:
7.85
5om3B-3ln6A:
4.89
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.
3ln7 GLUTATHIONE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
GSHAB

(Pasteurella
multocida) 		PF02655
(ATP-grasp_3)
PF04262
(Glu_cys_ligase) 		4 LEU A 189
PHE A 289
ASP A 290
HIS A 144
 None
 0.87A 5om3A-3ln7A:
undetectable
5om3B-3ln7A:
undetectable		 5om3A-3ln7A:
7.81
5om3B-3ln7A:
4.59
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.
3n4t APH(2'')-ID

(Enterococcus
casseliflavus) 		PF01636
(APH) 		4 LEU A 233
SER A 199
PHE A 198
ASP A 197
 None
 1.20A 5om3A-3n4tA:
undetectable
5om3B-3n4tA:
undetectable		 5om3A-3n4tA:
13.61
5om3B-3n4tA:
7.97
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.
3oc6 6-PHOSPHOGLUCONOLACT
ONASE

(Mycolicibacterium
smegmatis) 		PF01182
(Glucosamine_iso) 		4 LEU A 128
SER A 129
PHE A 132
ASP A 133
 None
 0.61A 5om3A-3oc6A:
undetectable
5om3B-3oc6A:
undetectable		 5om3A-3oc6A:
13.79
5om3B-3oc6A:
12.63
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.
3ot1 4-METHYL-5(B-HYDROXY
ETHYL)-THIAZOLE
MONOPHOSPHATE
BIOSYNTHESIS ENZYME

(Vibrio cholerae) 		PF01965
(DJ-1_PfpI) 		4 LEU B 141
PHE B 133
ASP B 134
HIS B 129
 None
None
None
CSX  B 108 ( 4.3A)
 1.21A 5om3A-3ot1B:
undetectable
5om3B-3ot1B:
undetectable		 5om3A-3ot1B:
19.70
5om3B-3ot1B:
10.31
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.
3psf TRANSCRIPTION
ELONGATION FACTOR
SPT6

(Saccharomyces
cerevisiae) 		PF14635
(HHH_7)
PF14639
(YqgF)
PF14641
(HTH_44)
PF14878
(DLD) 		4 LEU A 966
SER A 965
PHE A 962
ASP A 961
 None
 0.92A 5om3A-3psfA:
undetectable
5om3B-3psfA:
undetectable		 5om3A-3psfA:
7.03
5om3B-3psfA:
3.75
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.
3psi TRANSCRIPTION
ELONGATION FACTOR
SPT6

(Saccharomyces
cerevisiae) 		PF14635
(HHH_7)
PF14639
(YqgF)
PF14641
(HTH_44)
PF14878
(DLD) 		4 LEU A 966
SER A 965
PHE A 962
ASP A 961
 None
 0.91A 5om3A-3psiA:
undetectable
5om3B-3psiA:
undetectable		 5om3A-3psiA:
5.45
5om3B-3psiA:
2.70
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.
3pz2 GERANYLGERANYL
TRANSFERASE TYPE-2
SUBUNIT BETA

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		4 LEU B 215
SER B 212
ASP B 213
HIS B 256
 None
 1.20A 5om3A-3pz2B:
undetectable
5om3B-3pz2B:
undetectable		 5om3A-3pz2B:
12.65
5om3B-3pz2B:
9.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I

(Burkholderia
lata) 		PF00117
(GATase)
PF00425
(Chorismate_bind) 		4 LEU A 390
SER A 391
PHE A 394
ASP A 395
 None
 0.97A 5om3A-3r75A:
undetectable
5om3B-3r75A:
undetectable		 5om3A-3r75A:
7.31
5om3B-3r75A:
5.04
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.
3rb5 NA/CA EXCHANGE
PROTEIN

(Drosophila
melanogaster) 		PF03160
(Calx-beta) 		4 SER A 637
PHE A 638
ASP A 596
HIS A 641
 None
 1.23A 5om3A-3rb5A:
undetectable
5om3B-3rb5A:
undetectable		 5om3A-3rb5A:
14.63
5om3B-3rb5A:
9.49
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.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Sus scrofa) 		PF00305
(Lipoxygenase) 		4 LEU A 179
SER A 178
PHE A 175
ASP A 174
 OYP  A 664 (-3.3A)
None
OYP  A 664 (-4.1A)
None
 1.15A 5om3A-3rdeA:
undetectable
5om3B-3rdeA:
undetectable		 5om3A-3rdeA:
11.23
5om3B-3rdeA:
5.52
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.
3vx6 E1

(Kluyveromyces
marxianus) 		PF16420
(ATG7_N) 		4 LEU A  40
SER A  62
PHE A  63
ASP A  61
 None
 1.08A 5om3A-3vx6A:
undetectable
5om3B-3vx6A:
undetectable		 5om3A-3vx6A:
15.33
5om3B-3vx6A:
9.59
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.
4bm1 MANGANESE PEROXIDASE
4

(Pleurotus
ostreatus) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 LEU A 220
SER A 219
ASP A 218
HIS A 191
 None
 1.22A 5om3A-4bm1A:
undetectable
5om3B-4bm1A:
undetectable		 5om3A-4bm1A:
13.73
5om3B-4bm1A:
10.34
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.
4bwe GLYPICAN-1

(Homo sapiens) 		PF01153
(Glypican) 		4 LEU A 396
SER A 395
PHE A 392
ASP A 391
 None
None
None
CA  A 503 (-2.5A)
 1.06A 5om3A-4bweA:
undetectable
5om3B-4bweA:
undetectable		 5om3A-4bweA:
12.25
5om3B-4bweA:
9.12
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.
4cp6 CHOLINE BINDING
PROTEIN PCPA

(Streptococcus
pneumoniae) 		PF13306
(LRR_5) 		4 LEU A 427
PHE A 416
ASP A 436
HIS A 393
 None
 1.11A 5om3A-4cp6A:
undetectable
5om3B-4cp6A:
undetectable		 5om3A-4cp6A:
10.85
5om3B-4cp6A:
6.52
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.
4cq1 POLYPYRIMIDINE
TRACT-BINDING
PROTEIN 2

(Homo sapiens) 		PF00076
(RRM_1)
PF13893
(RRM_5) 		4 LEU A 508
SER A 525
PHE A 526
HIS A 394
 None
 1.02A 5om3A-4cq1A:
undetectable
5om3B-4cq1A:
undetectable		 5om3A-4cq1A:
19.31
5om3B-4cq1A:
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.
4cti OSMOLARITY SENSOR
PROTEIN ENVZ, AF1503

(Archaeoglobus
fulgidus;
Escherichia
coli) 		PF00512
(HisKA)
PF00672
(HAMP)
PF02518
(HATPase_c) 		4 LEU A 287
SER A 288
PHE A 291
ASP A 292
 None
 0.71A 5om3A-4ctiA:
undetectable
5om3B-4ctiA:
undetectable		 5om3A-4ctiA:
13.75
5om3B-4ctiA:
10.53
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.
4eba MRNA
3'-END-PROCESSING
PROTEIN RNA14

(Kluyveromyces
lactis) 		PF05843
(Suf) 		4 LEU A  89
SER A  90
PHE A  93
ASP A  94
 None
 0.88A 5om3A-4ebaA:
undetectable
5om3B-4ebaA:
undetectable		 5om3A-4ebaA:
8.40
5om3B-4ebaA:
4.90
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.
4fsp PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 LEU A 322
SER A 321
PHE A 312
ASP A 311
 C8E  A 405 (-4.8A)
None
C8E  A 405 (-3.9A)
None
 1.19A 5om3A-4fspA:
undetectable
5om3B-4fspA:
undetectable		 5om3A-4fspA:
11.69
5om3B-4fspA:
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.
4g56 MGC81050 PROTEIN

(Xenopus laevis) 		PF00400
(WD40) 		4 LEU B 317
SER B 301
PHE B 303
HIS B 314
 None
 1.22A 5om3A-4g56B:
undetectable
5om3B-4g56B:
undetectable		 5om3A-4g56B:
14.93
5om3B-4g56B:
9.60
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.
4gkh AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB

(Acinetobacter
baumannii) 		PF01636
(APH) 		4 LEU A 232
SER A 200
PHE A 199
ASP A 198
 None
KAN  A 301 ( 4.8A)
None
KAN  A 301 (-3.0A)
 1.22A 5om3A-4gkhA:
undetectable
5om3B-4gkhA:
undetectable		 5om3A-4gkhA:
16.41
5om3B-4gkhA:
10.61
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.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 LEU A 127
PHE A 120
ASP A 121
HIS A 220
 None
None
None
ZN  A 602 (-3.3A)
 1.14A 5om3A-4h1sA:
undetectable
5om3B-4h1sA:
undetectable		 5om3A-4h1sA:
9.25
5om3B-4h1sA:
6.16
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.
4hei RIBOSOME HIBERNATION
PROTEIN YHBH

(Vibrio cholerae) 		PF02482
(Ribosomal_S30AE) 		4 LEU A  27
PHE A  31
ASP A  32
HIS A  88
 None
 1.20A 5om3A-4heiA:
undetectable
5om3B-4heiA:
undetectable		 5om3A-4heiA:
21.88
5om3B-4heiA:
19.61
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.
4hst GLUTARYL-7-AMINOCEPH
ALOSPORANIC ACID
ACYLASE BETA CHAIN

(Pseudomonas) 		PF01804
(Penicil_amidase) 		4 LEU B 290
SER B 291
ASP B 448
TRP B 322
 None
 1.20A 5om3A-4hstB:
undetectable
5om3B-4hstB:
undetectable		 5om3A-4hstB:
9.21
5om3B-4hstB:
8.87
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.
4jif INTEGRIN
BETA-1-BINDING
PROTEIN 1

(Homo sapiens) 		PF10480
(ICAP-1_inte_bdg) 		4 LEU A 187
SER A 188
PHE A 191
ASP A 192
 None
 0.55A 5om3A-4jifA:
undetectable
5om3B-4jifA:
undetectable		 5om3A-4jifA:
18.83
5om3B-4jifA:
14.93
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.
4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A 256
SER A 257
ASP A 261
HIS A 118
 None
 1.09A 5om3A-4jxfA:
undetectable
5om3B-4jxfA:
undetectable		 5om3A-4jxfA:
15.30
5om3B-4jxfA:
11.06
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.
4jyj ENOYL-COA
HYDRATASE/ISOMERASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		4 LEU A  35
SER A  31
PHE A  30
ASP A  67
 None
 0.94A 5om3A-4jyjA:
undetectable
5om3B-4jyjA:
undetectable		 5om3A-4jyjA:
13.29
5om3B-4jyjA:
8.28
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.
4n6q VOSA

(Aspergillus
nidulans) 		PF11754
(Velvet) 		4 LEU A 171
SER A 172
PHE A 175
HIS A 103
 None
 0.61A 5om3A-4n6qA:
undetectable
5om3B-4n6qA:
undetectable		 5om3A-4n6qA:
18.18
5om3B-4n6qA:
13.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		4 LEU D 447
PHE D 443
ASP D  83
HIS D 438
 None
 1.12A 5om3A-4ngeD:
undetectable
5om3B-4ngeD:
undetectable		 5om3A-4ngeD:
7.25
5om3B-4ngeD:
4.20
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.
4ozt RETINOID X RECEPTOR

(Pediculus
humanus) 		PF00104
(Hormone_recep) 		4 LEU U 308
SER U 305
PHE U 309
HIS U 221
 None
 1.10A 5om3A-4oztU:
undetectable
5om3B-4oztU:
undetectable		 5om3A-4oztU:
17.65
5om3B-4oztU:
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.
4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN

(Escherichia
coli) 		no annotation 4 LEU B 308
SER B 331
PHE B 330
HIS B 293
 None
 1.08A 5om3A-4pl2B:
undetectable
5om3B-4pl2B:
undetectable		 5om3A-4pl2B:
15.25
5om3B-4pl2B:
8.77
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.
4qhq LIPOPROTEIN

(Burkholderia
cenocepacia) 		PF03180
(Lipoprotein_9) 		4 SER A  84
PHE A  85
ASP A  41
HIS A  87
 None
MET  A 301 (-4.7A)
MET  A 301 ( 4.7A)
MET  A 301 (-3.5A)
 1.18A 5om3A-4qhqA:
undetectable
5om3B-4qhqA:
undetectable		 5om3A-4qhqA:
15.77
5om3B-4qhqA:
12.50
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.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 LEU A1921
PHE A1918
ASP A1914
TRP A1864
 None
 1.17A 5om3A-4rh7A:
undetectable
5om3B-4rh7A:
undetectable		 5om3A-4rh7A:
2.41
5om3B-4rh7A:
1.27
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.
4w91 AMINOTRANSFERASE

(Brucella suis) 		PF00266
(Aminotran_5) 		4 LEU A  35
SER A 389
PHE A 390
HIS A 321
 None
 1.03A 5om3A-4w91A:
undetectable
5om3B-4w91A:
undetectable		 5om3A-4w91A:
11.90
5om3B-4w91A:
10.18
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 LEU A1029
SER A1033
PHE A 999
ASP A 998
 None
 1.08A 5om3A-4zxiA:
undetectable
5om3B-4zxiA:
undetectable		 5om3A-4zxiA:
5.11
5om3B-4zxiA:
2.82
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 LEU A   8
PHE A   7
ASP A 343
HIS A 397
 None
None
None
MGN  A 402 ( 4.7A)
 1.02A 5om3A-5a8rA:
undetectable
5om3B-5a8rA:
undetectable		 5om3A-5a8rA:
10.26
5om3B-5a8rA:
6.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ce0 NATIVE CONSERPIN
WITH Z-VARIANT
(E342K)

(synthetic
construct) 		PF00079
(Serpin) 		4 LEU A  15
SER A  14
PHE A  11
ASP A  10
 None
 1.06A 5om3A-5ce0A:
34.1
5om3B-5ce0A:
undetectable		 5om3A-5ce0A:
21.84
5om3B-5ce0A:
7.74
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.
5cww NUCLEOPORIN NUP82

(Chaetomium
thermophilum) 		no annotation 4 LEU B 515
SER B 501
PHE B 502
ASP B 495
 None
 1.14A 5om3A-5cwwB:
undetectable
5om3B-5cwwB:
undetectable		 5om3A-5cwwB:
8.06
5om3B-5cwwB:
6.98
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.
5eo3 PROTEIN PELOTA
HOMOLOG

(Homo sapiens) 		PF03465
(eRF1_3) 		4 SER A 314
PHE A 346
ASP A 315
HIS A 350
 None
 1.01A 5om3A-5eo3A:
undetectable
5om3B-5eo3A:
undetectable		 5om3A-5eo3A:
25.42
5om3B-5eo3A:
19.51
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.
5h7w VENOM
5'-NUCLEOTIDASE

(Naja atra) 		no annotation 4 LEU A 127
PHE A 120
ASP A 121
HIS A 220
 None
None
None
ZN  A 606 (-3.1A)
 1.04A 5om3A-5h7wA:
undetectable
5om3B-5h7wA:
undetectable		 5om3A-5h7wA:
8.70
5om3B-5h7wA:
5.63
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.
5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF11864
(DUF3384) 		4 LEU A 251
SER A 252
PHE A 255
HIS A 299
 LEU  A 251 ( 0.5A)
SER  A 252 ( 0.0A)
PHE  A 255 ( 1.3A)
HIS  A 299 ( 1.0A)
 1.09A 5om3A-5hiuA:
undetectable
5om3B-5hiuA:
undetectable		 5om3A-5hiuA:
11.93
5om3B-5hiuA:
9.57
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.
5icq METHYLOCYSTIS PARVUS
OBBP MBNE

(Methylocystis
parvus) 		PF00496
(SBP_bac_5) 		4 LEU A  77
SER A  76
PHE A  74
ASP A  75
 None
 1.18A 5om3A-5icqA:
undetectable
5om3B-5icqA:
undetectable		 5om3A-5icqA:
7.98
5om3B-5icqA:
5.14
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.
5j7z PUTATIVE SECRETED
ENDOGLYCOSYLCERAMIDA
SE

(Rhodococcus
hoagii) 		PF00150
(Cellulase) 		4 LEU A 135
SER A 136
PHE A 144
ASP A  95
 None
 1.17A 5om3A-5j7zA:
undetectable
5om3B-5j7zA:
undetectable		 5om3A-5j7zA:
10.59
5om3B-5j7zA:
6.85
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.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		4 LEU A 392
SER A 393
PHE A 398
ASP A 397
 None
 1.17A 5om3A-5l3dA:
undetectable
5om3B-5l3dA:
undetectable		 5om3A-5l3dA:
6.59
5om3B-5l3dA:
3.34
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.
5ltq GREEN FLUORESCENT
PROTEIN BLFP-Y3

(Branchiostoma
lanceolatum) 		PF01353
(GFP) 		4 SER A  14
PHE A  20
ASP A  19
HIS A  10
 None
 0.99A 5om3A-5ltqA:
undetectable
5om3B-5ltqA:
undetectable		 5om3A-5ltqA:
17.92
5om3B-5ltqA:
9.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mdn DNA POLYMERASE

(Pyrobaculum
calidifontis) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 LEU A 564
SER A 563
PHE A 421
ASP A 420
 None
 1.18A 5om3A-5mdnA:
undetectable
5om3B-5mdnA:
undetectable		 5om3A-5mdnA:
6.00
5om3B-5mdnA:
4.55
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.
5mwc GENETICALLY-ENCODED
GREEN CALCIUM
INDICATOR NTNC

(synthetic
construct) 		no annotation 4 SER D  24
PHE D  30
ASP D  29
HIS D  20
 None
 0.96A 5om3A-5mwcD:
undetectable
5om3B-5mwcD:
undetectable		 5om3A-5mwcD:
22.62
5om3B-5mwcD:
14.86
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.
5n28 METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanotorris
formicicus) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 LEU A   9
PHE A   8
ASP A 343
HIS A 397
 None
None
None
MGN  A 402 ( 4.7A)
 1.08A 5om3A-5n28A:
undetectable
5om3B-5n28A:
undetectable		 5om3A-5n28A:
9.24
5om3B-5n28A:
5.12
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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 4 LEU A 374
SER A 375
PHE A 378
ASP A 379
 None
 0.67A 5om3A-5ng6A:
undetectable
5om3B-5ng6A:
undetectable		 5om3A-5ng6A:
4.44
5om3B-5ng6A:
2.76
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.
5ns8 -

(-) 		no annotation 4 LEU A 102
PHE A  98
ASP A  97
HIS A  57
 None
 1.01A 5om3A-5ns8A:
undetectable
5om3B-5ns8A:
undetectable		 5om3A-5ns8A:
undetectable
5om3B-5ns8A:
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.
5x2v L-METHIONINE
GAMMA-LYASE

(Pseudomonas
putida) 		PF01053
(Cys_Met_Meta_PP) 		4 LEU A 394
SER A 397
PHE A 328
HIS A 350
 None
 1.13A 5om3A-5x2vA:
undetectable
5om3B-5x2vA:
undetectable		 5om3A-5x2vA:
10.23
5om3B-5x2vA:
8.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01058
(Oxidored_q6)
PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		4 LEU A 561
SER A 560
PHE A 559
HIS C 142
 None
 0.77A 5om3A-5xfaA:
undetectable
5om3B-5xfaA:
undetectable		 5om3A-5xfaA:
8.64
5om3B-5xfaA:
4.72
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.
5y50 PROTEIN
DETOXIFICATION 14

(Arabidopsis
thaliana) 		no annotation 4 LEU A 378
SER A 379
PHE A 382
ASP A 383
 None
 0.67A 5om3A-5y50A:
undetectable
5om3B-5y50A:
undetectable		 5om3A-5y50A:
19.39
5om3B-5y50A:
25.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zcs TARGET OF RAPAMYCIN
COMPLEX SUBUNIT LST8

(Homo sapiens) 		no annotation 4 LEU C 199
SER C 183
ASP C 181
HIS C 177
 None
 1.22A 5om3A-5zcsC:
undetectable
5om3B-5zcsC:
undetectable		 5om3A-5zcsC:
18.39
5om3B-5zcsC:
16.05
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.
6bk1 UDP-GLYCOSYLTRANSFER
ASE 79

(Oryza sativa) 		no annotation 4 LEU A 303
PHE A 295
ASP A 296
HIS A 382
 None
 1.07A 5om3A-6bk1A:
undetectable
5om3B-6bk1A:
undetectable		 5om3A-6bk1A:
17.44
5om3B-6bk1A:
29.27
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.
6c26 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT STT3

(Saccharomyces
cerevisiae) 		no annotation 4 LEU A 421
SER A 422
PHE A 425
ASP A 426
 None
 0.67A 5om3A-6c26A:
undetectable
5om3B-6c26A:
undetectable		 5om3A-6c26A:
19.10
5om3B-6c26A:
18.75