SIMILAR PATTERNS OF AMINO ACIDS FOR 3O7W_A_SAMA801_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a5l UREASE (BETA
SUBUNIT)
UREASE (ALPHA
SUBUNIT)

(Klebsiella
aerogenes;
Klebsiella
aerogenes) 		PF00699
(Urease_beta)
PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ALA B  65
GLY C 100
GLY C  56
ILE C  51
GLU C  41
 None
 1.10A 3o7wA-1a5lB:
undetectable		 3o7wA-1a5lB:
14.18
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.
1fp3 N-ACYL-D-GLUCOSAMINE
2-EPIMERASE

(Sus scrofa) 		PF07221
(GlcNAc_2-epim) 		5 GLY A  87
GLY A  36
LEU A 134
VAL A  62
TYR A  65
 None
 1.08A 3o7wA-1fp3A:
undetectable		 3o7wA-1fp3A:
21.87
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.
1jcf ROD
SHAPE-DETERMINING
PROTEIN MREB

(Thermotoga
maritima) 		PF06723
(MreB_Mbl) 		5 ALA A  13
GLY A 287
ILE A 154
LEU A 250
GLU A 204
 None
 1.11A 3o7wA-1jcfA:
undetectable		 3o7wA-1jcfA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l6w FRUCTOSE-6-PHOSPHATE
ALDOLASE 1

(Escherichia
coli) 		PF00923
(TAL_FSA) 		5 ALA A 110
GLY A  92
ILE A  96
ARG A  76
VAL A  60
 None
 1.06A 3o7wA-1l6wA:
undetectable		 3o7wA-1l6wA:
22.26
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.
1ll8 PAS KINASE

(Homo sapiens) 		PF13426
(PAS_9) 		5 GLY A  85
PHE A  48
ILE A  81
LEU A  31
TYR A  34
 None
 1.08A 3o7wA-1ll8A:
undetectable		 3o7wA-1ll8A:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mb9 BETA-LACTAM
SYNTHETASE

(Streptomyces
clavuligerus) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		5 ALA A 433
GLY A 256
ILE A 252
LEU A 408
GLU A 231
 None
 0.92A 3o7wA-1mb9A:
undetectable		 3o7wA-1mb9A:
19.12
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.
1pl8 HUMAN SORBITOL
DEHYDROGENASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 ALA A 191
GLY A 216
ILE A 215
LEU A 209
ARG A 208
VAL A 201
 None
None
None
None
NAD  A 400 (-3.1A)
None
 1.45A 3o7wA-1pl8A:
4.2		 3o7wA-1pl8A:
20.88
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.
1q2y SIMILAR TO
HYPOTHETICAL
PROTEINS

(Bacillus
subtilis) 		PF13673
(Acetyltransf_10) 		6 ALA A  89
GLY A  55
GLY A  57
ILE A  71
LEU A  74
ARG A  78
 None
 1.49A 3o7wA-1q2yA:
undetectable		 3o7wA-1q2yA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qgc PROTEIN (VIRUS
CAPSID PROTEIN VP3)

(Foot-and-mouth
disease virus) 		PF00073
(Rhv) 		5 ALA 3 139
ILE 3 189
LEU 3 199
CYH 3 185
VAL 3 186
 None
 1.01A 3o7wA-1qgc3:
undetectable		 3o7wA-1qgc3:
18.79
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.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		5 GLY A 184
ASP A 219
LEU A 218
ARG A 239
VAL A 216
 None
 0.87A 3o7wA-1r8yA:
11.5		 3o7wA-1r8yA:
22.12
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ALA B 546
GLY B 374
GLY B 372
ILE B 747
VAL B 339
 GOL  B3902 (-3.5A)
None
None
None
None
 1.03A 3o7wA-1t3qB:
undetectable		 3o7wA-1t3qB:
17.55
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.
1u5q SERINE/THREONINE
PROTEIN KINASE TAO2

(Rattus
norvegicus) 		PF00069
(Pkinase) 		5 ALA A 190
GLY A 204
ILE A 148
LEU A 167
VAL A 152
 None
 1.10A 3o7wA-1u5qA:
undetectable		 3o7wA-1u5qA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5i IA-1=SERINE
PROTEINASE INHIBITOR

(Pleurotus
ostreatus) 		no annotation 5 GLY B  43
ILE B   8
LEU B  63
GLU B  15
VAL B  13
 None
None
GOL  B2002 (-3.6A)
None
GOL  B2014 ( 4.7A)
 0.92A 3o7wA-1v5iB:
undetectable		 3o7wA-1v5iB:
14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vc4 INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF00218
(IGPS) 		5 ALA A 175
GLY A 179
ILE A 180
ASP A 184
LEU A 185
 None
 0.90A 3o7wA-1vc4A:
undetectable		 3o7wA-1vc4A:
24.38
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.
1vj0 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 ALA A 203
GLY A 228
ILE A 227
LEU A 221
ARG A 220
VAL A 213
 None
 1.40A 3o7wA-1vj0A:
5.5		 3o7wA-1vj0A:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wf8 NEURABIN-I

(Homo sapiens) 		PF00595
(PDZ) 		5 GLY A  41
GLY A  28
ILE A  27
GLU A  38
VAL A  31
 None
 0.94A 3o7wA-1wf8A:
undetectable		 3o7wA-1wf8A:
14.78
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.
1xm9 PLAKOPHILIN 1

(Homo sapiens) 		PF00514
(Arm) 		5 GLY A 570
GLY A 575
ILE A 579
LEU A 607
VAL A 610
 None
 1.12A 3o7wA-1xm9A:
undetectable		 3o7wA-1xm9A:
21.58
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.
2bji INOSITOL-1(OR
4)-MONOPHOSPHATASE

(Bos taurus) 		PF00459
(Inositol_P) 		5 ALA A1204
GLY A1223
GLY A1225
ILE A1226
VAL A1122
 None
 1.12A 3o7wA-2bjiA:
undetectable		 3o7wA-2bjiA:
21.71
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.
2c5a GDP-MANNOSE-3',
5'-EPIMERASE

(Arabidopsis
thaliana) 		PF01370
(Epimerase) 		5 GLY A  34
GLY A  36
ASP A  78
LEU A  79
ARG A  80
 NAD  A1378 ( 3.7A)
NAD  A1378 (-4.1A)
NAD  A1378 ( 3.8A)
NAD  A1378 (-3.9A)
None
 0.92A 3o7wA-2c5aA:
undetectable		 3o7wA-2c5aA:
21.76
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.
2c5a GDP-MANNOSE-3',
5'-EPIMERASE

(Arabidopsis
thaliana) 		PF01370
(Epimerase) 		5 GLY A  34
GLY A  37
ASP A  78
LEU A  79
ARG A  80
 NAD  A1378 ( 3.7A)
NAD  A1378 (-3.2A)
NAD  A1378 ( 3.8A)
NAD  A1378 (-3.9A)
None
 0.87A 3o7wA-2c5aA:
undetectable		 3o7wA-2c5aA:
21.76
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.
2e3z BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF00232
(Glyco_hydro_1) 		5 GLY A  90
ILE A  86
ASP A 125
LEU A 126
GLU A 142
 None
 0.94A 3o7wA-2e3zA:
undetectable		 3o7wA-2e3zA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ebd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Aquifex
aeolicus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 303
ILE A 115
LEU A 292
GLU A 218
VAL A 219
 None
 1.12A 3o7wA-2ebdA:
undetectable		 3o7wA-2ebdA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2epg HYPOTHETICAL PROTEIN
TTHA1785

(Thermus
thermophilus) 		PF01139
(RtcB) 		5 GLY A 224
ASP A 212
LEU A 468
ARG A 467
VAL A 382
 None
 1.06A 3o7wA-2epgA:
undetectable		 3o7wA-2epgA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f1k PREPHENATE
DEHYDROGENASE

(Synechocystis
sp. PCC 6803) 		PF02153
(PDH) 		5 GLY A  12
GLY A   9
ILE A 122
ARG A  20
VAL A   5
 None
NAP  A1350 (-3.0A)
None
None
None
 0.96A 3o7wA-2f1kA:
2.3		 3o7wA-2f1kA:
24.05
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.
2i0s AROMATIC AMINE
DEHYDROGENASE

(Alcaligenes
faecalis) 		PF06433
(Me-amine-dh_H) 		5 GLY A 326
ASP A 318
LEU A 313
ARG A 370
VAL A 342
 None
 1.11A 3o7wA-2i0sA:
undetectable		 3o7wA-2i0sA:
20.72
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.
2jis CYSTEINE SULFINIC
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 ALA A  32
ILE A 106
LEU A  21
ARG A  22
VAL A  24
 None
 1.09A 3o7wA-2jisA:
undetectable		 3o7wA-2jisA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ob1 LEUCINE CARBOXYL
METHYLTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF04072
(LCM) 		7 ALA A  12
GLY A 105
GLY A 107
ASP A 175
LEU A 176
GLU A 201
CYH A 202
 None
 0.51A 3o7wA-2ob1A:
30.8		 3o7wA-2ob1A:
28.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ob1 LEUCINE CARBOXYL
METHYLTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF04072
(LCM) 		6 ALA A  12
GLY A 105
GLY A 107
GLU A 201
CYH A 202
TYR A 206
 None
 0.60A 3o7wA-2ob1A:
30.8		 3o7wA-2ob1A:
28.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p35 TRANS-ACONITATE
2-METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF13489
(Methyltransf_23) 		5 GLY A  38
GLY A  40
ASP A  83
LEU A  84
VAL A 101
 SAH  A 301 (-3.6A)
SAH  A 301 (-3.3A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.1A)
 0.40A 3o7wA-2p35A:
10.7		 3o7wA-2p35A:
21.12
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.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 GLY A  84
GLY A  86
ASP A 135
ARG A 137
TYR A 168
 SAM  A 400 (-3.4A)
SAM  A 400 ( 3.2A)
SAM  A 400 (-3.4A)
SAM  A 400 (-4.6A)
SAM  A 400 ( 4.5A)
 0.39A 3o7wA-2qe6A:
16.1		 3o7wA-2qe6A:
24.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vuo IG GAMMA CHAIN C
REGION

(Oryctolagus
cuniculus) 		PF07654
(C1-set) 		5 GLY A 352
PHE A 423
ILE A 441
ASP A 421
VAL A 363
 None
 1.12A 3o7wA-2vuoA:
undetectable		 3o7wA-2vuoA:
22.33
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.
2wvl MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Thermus
thermophilus) 		PF09488
(Osmo_MPGsynth) 		5 ALA A 253
GLY A 186
ASP A  45
ARG A  49
VAL A  51
 None
 1.12A 3o7wA-2wvlA:
undetectable		 3o7wA-2wvlA:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x40 BETA-GLUCOSIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 357
GLY A 359
ILE A 361
GLU A 475
TYR A 403
 None
 1.07A 3o7wA-2x40A:
undetectable		 3o7wA-2x40A:
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.
2xva TELLURITE RESISTANCE
PROTEIN TEHB

(Escherichia
coli) 		PF03848
(TehB) 		5 GLY A  38
GLY A  40
ASP A  86
LEU A  87
VAL A 104
 SFG  A1198 (-4.3A)
SFG  A1198 (-3.2A)
SFG  A1198 (-3.9A)
SFG  A1198 (-3.8A)
SFG  A1198 (-3.8A)
 0.41A 3o7wA-2xvaA:
11.2		 3o7wA-2xvaA:
22.87
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.
2zwa LEUCINE CARBOXYL
METHYLTRANSFERASE 2

(Saccharomyces
cerevisiae) 		PF04072
(LCM)
PF13418
(Kelch_4) 		6 GLY A 115
GLY A 117
ASP A 196
LEU A 197
GLU A 224
TYR A 229
 SAH  A 801 (-3.5A)
SAH  A 801 (-3.4A)
SAH  A 801 (-4.1A)
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
None
 0.56A 3o7wA-2zwaA:
27.9		 3o7wA-2zwaA:
17.84
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.
3ahy BETA-GLUCOSIDASE

(Trichoderma
reesei) 		PF00232
(Glyco_hydro_1) 		5 GLY A  86
ILE A  82
ASP A 121
LEU A 122
GLU A 138
 None
 0.91A 3o7wA-3ahyA:
undetectable		 3o7wA-3ahyA:
22.61
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.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Escherichia
coli) 		PF06751
(EutB) 		5 ALA A 296
GLY A 289
GLY A 291
ILE A 330
ASP A 362
 None
None
None
B12  B 601 (-4.3A)
2A3  A 602 (-3.8A)
 1.04A 3o7wA-3anyA:
undetectable		 3o7wA-3anyA:
21.18
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.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Escherichia
coli) 		PF06751
(EutB) 		5 ALA A 296
GLY A 289
GLY A 291
PHE A 329
ILE A 330
 None
None
None
2A3  A 602 (-3.8A)
B12  B 601 (-4.3A)
 0.97A 3o7wA-3anyA:
undetectable		 3o7wA-3anyA:
21.18
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.
3b5o CADD-LIKE PROTEIN OF
UNKNOWN FUNCTION

(Nostoc
punctiforme) 		PF12981
(DUF3865) 		5 ALA A  61
GLY A  56
LEU A 123
ARG A 124
VAL A 126
 None
 1.08A 3o7wA-3b5oA:
undetectable		 3o7wA-3b5oA:
22.12
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.
3bkw S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Mesorhizobium
japonicum) 		PF08241
(Methyltransf_11) 		5 GLY A  50
GLY A  52
ASP A  96
LEU A  97
TYR A 118
 None
 0.71A 3o7wA-3bkwA:
12.3		 3o7wA-3bkwA:
22.26
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.
3dwc METALLOCARBOXYPEPTID
ASE

(Trypanosoma
cruzi) 		PF02074
(Peptidase_M32) 		5 GLY A 163
ASP A 170
LEU A 169
ARG A 368
VAL A 157
 None
 0.96A 3o7wA-3dwcA:
undetectable		 3o7wA-3dwcA:
21.15
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.
3ec7 PUTATIVE
DEHYDROGENASE

(Salmonella
enterica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ALA A  74
GLY A  14
ASP A  46
LEU A  45
VAL A  33
 NAD  A 400 (-3.8A)
None
None
None
None
 1.06A 3o7wA-3ec7A:
3.4		 3o7wA-3ec7A:
21.96
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		5 GLY A 169
ILE A 183
ASP A 159
LEU A 160
ARG A 161
 None
 1.11A 3o7wA-3eqnA:
undetectable		 3o7wA-3eqnA:
15.08
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		5 GLY A 197
ILE A 183
ASP A 159
LEU A 160
ARG A 161
 None
 1.11A 3o7wA-3eqnA:
undetectable		 3o7wA-3eqnA:
15.08
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.
3f8t PREDICTED ATPASE
INVOLVED IN
REPLICATION CONTROL,
CDC46/MCM FAMILY

(Methanopyrus
kandleri) 		PF00493
(MCM) 		5 GLY A 165
PHE A 105
ILE A 119
LEU A  59
GLU A  78
 None
 1.10A 3o7wA-3f8tA:
2.3		 3o7wA-3f8tA:
21.54
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.
3h7a SHORT CHAIN
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00106
(adh_short) 		5 GLY A  12
GLY A  14
ASP A  62
ARG A  64
VAL A  89
 GLY  A  12 ( 0.0A)
GLY  A  14 ( 0.0A)
ASP  A  62 ( 0.6A)
ARG  A  64 ( 0.6A)
VAL  A  89 ( 0.6A)
 0.98A 3o7wA-3h7aA:
undetectable		 3o7wA-3h7aA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ke3 PUTATIVE
SERINE-PYRUVATE
AMINOTRANSFERASE

(Psychrobacter
arcticus) 		PF00266
(Aminotran_5) 		5 ALA A 206
GLY A  62
ILE A 193
LEU A 211
VAL A  53
 None
 1.02A 3o7wA-3ke3A:
3.2		 3o7wA-3ke3A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l8k DIHYDROLIPOYL
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 266
GLY A 182
ILE A 198
ASP A 172
VAL A 263
 None
 1.12A 3o7wA-3l8kA:
undetectable		 3o7wA-3l8kA:
20.52
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.
3n6z PUTATIVE
IMMUNOGLOBULIN A1
PROTEASE

(Bacteroides
ovatus) 		no annotation 5 ALA A 156
GLY A 202
GLY A 166
ILE A 165
VAL A 228
 None
 1.03A 3o7wA-3n6zA:
undetectable		 3o7wA-3n6zA:
21.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o7w LEUCINE CARBOXYL
METHYLTRANSFERASE 1

(Homo sapiens) 		PF04072
(LCM) 		12 ALA A  33
GLY A  98
GLY A 100
PHE A 123
ILE A 126
ASP A 171
LEU A 172
ARG A 173
GLU A 198
CYH A 199
VAL A 200
TYR A 203
 SAM  A 801 (-3.6A)
SAM  A 801 (-3.5A)
SAM  A 801 ( 3.7A)
SAM  A 801 (-3.7A)
SAM  A 801 (-4.3A)
SAM  A 801 (-3.8A)
SAM  A 801 (-3.7A)
None
SAM  A 801 (-3.1A)
SAM  A 801 (-4.9A)
SAM  A 801 ( 3.9A)
SAM  A 801 (-4.6A)
 0.02A 3o7wA-3o7wA:
51.6		 3o7wA-3o7wA:
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.
3pjx CYCLIC DIMERIC GMP
BINDING PROTEIN

(Pseudomonas
fluorescens) 		PF00563
(EAL)
PF00990
(GGDEF) 		5 GLY A 380
PHE A 367
LEU A 254
ARG A 257
GLU A 321
 None
 0.93A 3o7wA-3pjxA:
undetectable		 3o7wA-3pjxA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 ALA A  92
GLY A  19
ASP A  49
LEU A  50
VAL A  35
 None
 1.11A 3o7wA-3pk0A:
4.7		 3o7wA-3pk0A:
22.15
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT J
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli;
Escherichia
coli;
Escherichia
coli) 		no annotation
no annotation
no annotation 		5 ALA J 110
GLY N 208
GLY N 206
PHE N 169
VAL L 605
 None
 1.10A 3o7wA-3rkoJ:
undetectable		 3o7wA-3rkoJ:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t9y ACETYLTRANSFERASE,
GNAT FAMILY

(Staphylococcus
aureus) 		PF00583
(Acetyltransf_1) 		5 GLY A  61
ILE A  54
ASP A 101
LEU A  98
TYR A  94
 None
None
PGE  A 205 (-4.7A)
None
None
 1.05A 3o7wA-3t9yA:
undetectable		 3o7wA-3t9yA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ttl POLYAMINE TRANSPORT
PROTEIN

(Pseudomonas
aeruginosa) 		PF13416
(SBP_bac_8) 		5 ALA A 185
GLY A 238
GLY A 136
ILE A 137
GLU A 181
 None
 0.82A 3o7wA-3ttlA:
undetectable		 3o7wA-3ttlA:
22.53
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.
3tw0 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF00092
(VWA) 		5 ALA A 251
GLY A 537
GLY A 535
ASP A 541
ARG A 238
 None
 0.84A 3o7wA-3tw0A:
undetectable		 3o7wA-3tw0A:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uog ALCOHOL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  53
ASP A  57
LEU A  58
GLU A  51
VAL A  13
 None
 0.89A 3o7wA-3uogA:
3.9		 3o7wA-3uogA:
20.26
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.
3uxy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 GLY A  13
GLY A  16
ASP A  52
LEU A  53
ARG A  54
 None
 0.98A 3o7wA-3uxyA:
4.5		 3o7wA-3uxyA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b0n POLYKETIDE SYNTHASE
III

(Ectocarpus
siliculosus) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 200
ILE A 189
ASP A 171
LEU A 157
ARG A 186
 None
 1.11A 3o7wA-4b0nA:
undetectable		 3o7wA-4b0nA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b0s DEAMIDASE-DEPUPYLASE
DOP

(Acidothermus
cellulolyticus) 		PF03136
(Pup_ligase) 		5 ALA A 320
GLY A 259
ASP A 110
ARG A 109
VAL A 339
 None
 1.07A 3o7wA-4b0sA:
undetectable		 3o7wA-4b0sA:
20.20
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.
4b8s ADP-DEPENDENT
GLUCOKINASE

(Thermococcus
litoralis) 		PF04587
(ADP_PFK_GK) 		5 ALA A 215
PHE A 206
ILE A 207
LEU A  81
VAL A  99
 None
None
GLC  A 468 ( 4.3A)
None
None
 1.11A 3o7wA-4b8sA:
2.5		 3o7wA-4b8sA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4em6 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Brucella
melitensis) 		no annotation 5 ALA D 130
GLY D 276
ILE D 203
ASP D 158
VAL D 279
 None
 1.11A 3o7wA-4em6D:
3.5		 3o7wA-4em6D:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE

(Pyrococcus
furiosus;
Thermotoga
maritima) 		PF00793
(DAHP_synth_1) 		5 GLY A 127
GLY A 100
ASP A 179
ARG A 151
GLU A 105
 None
 1.02A 3o7wA-4grsA:
undetectable		 3o7wA-4grsA:
22.44
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.
4hbz PUTATIVE
PHOSPHOHISTIDINE
PHOSPHATASE, SIXA

(Nakamurella
multipartita) 		PF00300
(His_Phos_1) 		5 ALA A 138
GLY A 145
GLY A 143
LEU A 148
VAL A 129
 None
None
None
PGE  A 203 ( 4.8A)
None
 1.03A 3o7wA-4hbzA:
undetectable		 3o7wA-4hbzA:
21.57
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.
4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE

(Sulfurimonas
denitrificans) 		PF01048
(PNP_UDP_1) 		5 GLY A   7
ILE A  13
LEU A 210
GLU A 171
VAL A  76
 None
None
None
None
ADE  A 305 (-4.8A)
 1.08A 3o7wA-4jwtA:
undetectable		 3o7wA-4jwtA:
22.58
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.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		6 GLY A  59
GLY A  61
PHE A  81
ASP A 105
ARG A   7
TYR A 127
 SAH  A 502 (-3.6A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.5A)
SAH  A 502 (-3.0A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.9A)
 1.26A 3o7wA-4krgA:
10.0		 3o7wA-4krgA:
20.55
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.
4m0d N-ACETYLMURAMIC ACID
6-PHOSPHATE ETHERASE

(Haemophilus
influenzae) 		PF01380
(SIS) 		5 ALA A 182
GLY A 143
ILE A  74
ARG A  70
VAL A 140
 None
 1.11A 3o7wA-4m0dA:
3.4		 3o7wA-4m0dA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mdp BETA-GLUCOSIDASE

(Humicola grisea) 		PF00232
(Glyco_hydro_1) 		5 GLY A  87
ILE A  83
ASP A 122
LEU A 123
GLU A 139
 None
 0.95A 3o7wA-4mdpA:
undetectable		 3o7wA-4mdpA:
21.60
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.
4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE

(Burkholderia
multivorans) 		PF13394
(Fer4_14) 		5 ALA A   4
GLY A  58
GLY A  61
PHE A   9
ILE A   8
 None
 0.87A 3o7wA-4njiA:
undetectable		 3o7wA-4njiA:
21.17
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.
4q2w PUTATIVE
ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE

(Streptococcus
pneumoniae) 		PF01832
(Glucosaminidase) 		5 ALA A 260
GLY A 266
LEU A 137
GLU A 190
TYR A 240
 None
None
None
None
GOL  A 302 (-4.8A)
 1.08A 3o7wA-4q2wA:
undetectable		 3o7wA-4q2wA:
22.60
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.
4qdk MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF07109
(Mg-por_mtran_C) 		5 GLY A  70
GLY A  72
ASP A 120
LEU A 121
VAL A 136
 SAH  A 301 (-3.4A)
SAH  A 301 (-3.6A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.6A)
SAH  A 301 (-3.8A)
 1.00A 3o7wA-4qdkA:
11.1		 3o7wA-4qdkA:
21.93
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.
4xmm NUCLEOPORIN NUP145

(Saccharomyces
cerevisiae) 		PF12110
(Nup96) 		5 GLY B 420
ILE B 422
LEU B 269
ARG B 265
VAL B 404
 None
 1.07A 3o7wA-4xmmB:
undetectable		 3o7wA-4xmmB:
17.13
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.
4zas CALS13

(Micromonospora
echinospora) 		PF01041
(DegT_DnrJ_EryC1) 		5 ALA A  46
GLY A 258
GLY A 261
GLU A  42
VAL A  40
 None
 0.97A 3o7wA-4zasA:
2.6		 3o7wA-4zasA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zyj DNMZ

(Streptomyces
peucetius) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A  25
GLY A  68
ARG A 110
GLU A  73
VAL A  71
 None
 1.09A 3o7wA-4zyjA:
undetectable		 3o7wA-4zyjA:
20.70
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.
5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
BETA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF02775
(TPP_enzyme_C)
PF12367
(PFO_beta_C) 		5 ALA B  70
GLY B  93
GLY B  97
ILE B  96
VAL B  88
 None
 1.10A 3o7wA-5b47B:
3.7		 3o7wA-5b47B:
22.83
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.
5bjx WLAL PROTEIN

(Campylobacter
jejuni) 		no annotation 5 GLY A 480
ILE A 482
LEU A 491
CYH A 428
VAL A 429
 None
 1.11A 3o7wA-5bjxA:
6.4		 3o7wA-5bjxA:
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.
5c54 DIHYDRODIPICOLINATE
SYNTHASE/N-ACETYLNEU
RAMINATE LYASE

(Corynebacterium
glutamicum) 		PF00701
(DHDPS) 		5 GLY A 267
GLY A 270
PHE A 250
ILE A 252
GLU A  51
 GOL  A 401 (-3.2A)
None
None
None
None
 1.02A 3o7wA-5c54A:
undetectable		 3o7wA-5c54A:
25.07
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.
5e9j MRNA CAP GUANINE-N7
METHYLTRANSFERASE,MR
NA CAP GUANINE-N7
METHYLTRANSFERASE

(Homo sapiens) 		PF03291
(Pox_MCEL) 		5 GLY A 205
GLY A 207
ASP A 261
VAL A 286
TYR A 289
 SAH  A 501 (-3.4A)
SAH  A 501 (-3.4A)
SAH  A 501 (-3.5A)
SAH  A 501 (-4.2A)
SAH  A 501 (-4.0A)
 0.65A 3o7wA-5e9jA:
14.4		 3o7wA-5e9jA:
20.99
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.
5e9w MRNA CAP GUANINE-N7
METHYLTRANSFERASE

(Homo sapiens) 		PF03291
(Pox_MCEL) 		5 GLY A 205
GLY A 207
ASP A 261
VAL A 286
TYR A 289
 SAH  A 500 (-3.8A)
SAH  A 500 (-3.5A)
SAH  A 500 (-3.6A)
SAH  A 500 (-3.8A)
SAH  A 500 (-4.0A)
 0.56A 3o7wA-5e9wA:
13.9		 3o7wA-5e9wA:
21.75
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.
5f8e METHYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF13847
(Methyltransf_31) 		5 ALA A 143
GLY A 179
GLY A 181
ASP A 229
LEU A 230
 SAH  A 400 ( 4.4A)
SAH  A 400 (-4.0A)
SAH  A 400 (-3.4A)
SAH  A 400 (-4.1A)
SAH  A 400 (-3.2A)
 0.95A 3o7wA-5f8eA:
11.4		 3o7wA-5f8eA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f8e METHYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF13847
(Methyltransf_31) 		5 ALA A 143
GLY A 179
GLY A 181
PHE A 203
LEU A 230
 SAH  A 400 ( 4.4A)
SAH  A 400 (-4.0A)
SAH  A 400 (-3.4A)
SAH  A 400 (-3.6A)
SAH  A 400 (-3.2A)
 1.08A 3o7wA-5f8eA:
11.4		 3o7wA-5f8eA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fif CARBOXYLASE

(Deinococcus
radiodurans) 		PF01039
(Carboxyl_trans) 		5 GLY A 327
GLY A 358
ILE A 354
ASP A 381
VAL A 349
 None
 1.11A 3o7wA-5fifA:
undetectable		 3o7wA-5fifA:
18.04
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.
5h4v GLUTAMATE--TRNA
LIGASE

(Xanthomonas
oryzae) 		no annotation 5 ALA A 244
GLY A  18
LEU A  64
VAL A 247
TYR A 250
 None
 1.00A 3o7wA-5h4vA:
undetectable		 3o7wA-5h4vA:
21.77
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.
5jbk BETA-GLUCOSIDASE

(Trichoderma
harzianum) 		PF00232
(Glyco_hydro_1) 		5 GLY A  87
ILE A  83
ASP A 122
LEU A 123
GLU A 139
 None
 0.99A 3o7wA-5jbkA:
undetectable		 3o7wA-5jbkA:
23.30
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.
5jbo BETA-GLUCOSIDASE

(Trichoderma
harzianum) 		PF00232
(Glyco_hydro_1) 		5 GLY A  92
ILE A  88
ASP A 127
LEU A 128
GLU A 144
 None
 0.91A 3o7wA-5jboA:
undetectable		 3o7wA-5jboA:
21.03
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ALA L 249
GLY L 442
GLY L 246
ILE L 245
LEU L 432
 None
 1.02A 3o7wA-5jfcL:
undetectable		 3o7wA-5jfcL:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jzx UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 ALA A  42
GLY A 132
GLY A 103
GLU A 194
VAL A 192
 None
FAD  A 401 ( 4.0A)
None
None
FAD  A 401 (-3.7A)
 1.02A 3o7wA-5jzxA:
undetectable		 3o7wA-5jzxA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k1z AMINODEOXYFUTALOSINE
NUCLEOSIDASE

(Helicobacter
pylori) 		PF01048
(PNP_UDP_1) 		5 GLY A   8
ILE A  14
LEU A 212
GLU A 173
VAL A  78
 None
None
None
None
4CT  A 301 (-4.1A)
 1.06A 3o7wA-5k1zA:
undetectable		 3o7wA-5k1zA:
22.88
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.
5l2r FUMARATE HYDRATASE

(Leishmania
major) 		PF05681
(Fumerase)
PF05683
(Fumerase_C) 		6 ALA A 308
GLY A 318
GLY A 312
ASP A 109
ARG A 112
TYR A 321
 None
 1.44A 3o7wA-5l2rA:
undetectable		 3o7wA-5l2rA:
19.87
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.
5lgg ANAPHASE-PROMOTING
COMPLEX SUBUNIT
1,ANAPHASE-PROMOTING
COMPLEX SUBUNIT
1,ANAPHASE-PROMOTING
COMPLEX SUBUNIT
1,ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 ALA A  96
GLY A  24
LEU A  76
ARG A  77
GLU A  72
 None
 1.08A 3o7wA-5lggA:
undetectable		 3o7wA-5lggA:
21.56
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.
5nue MALATE DEHYDROGENASE
1, CYTOPLASMIC

(Arabidopsis
thaliana) 		no annotation 5 GLY A  32
GLY A  28
ILE A  29
ASP A 257
LEU A 260
 None
 0.88A 3o7wA-5nueA:
4.3		 3o7wA-5nueA:
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.
5twb FERREDOXIN--NADP
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		5 GLY A 156
ASP A 162
LEU A 161
GLU A 181
VAL A 183
 None
 1.01A 3o7wA-5twbA:
undetectable		 3o7wA-5twbA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ALA A 249
GLY A 443
GLY A 246
ILE A 245
LEU A 433
 None
 1.00A 3o7wA-5vj7A:
undetectable		 3o7wA-5vj7A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 5 GLY A 542
GLY A 544
PHE A 564
VAL A 612
TYR A 615
 SAH  A1002 (-3.7A)
SAH  A1002 (-3.4A)
SAH  A1002 (-3.4A)
SAH  A1002 (-4.3A)
SAH  A1002 (-4.8A)
 0.70A 3o7wA-5wmmA:
12.2		 3o7wA-5wmmA:
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 6 GLY A  61
GLY A  63
PHE A  83
ASP A 107
ARG A   9
TYR A 131
 SAH  A 701 (-3.4A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.4A)
SAH  A 701 (-3.2A)
SAH  A 701 (-3.9A)
None
 1.24A 3o7wA-5wp4A:
12.4		 3o7wA-5wp4A:
19.96
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 6 GLY A  61
GLY A  63
PHE A  83
ASP A 107
ARG A   9
TYR A 131
 SAH  A 502 (-3.4A)
SAH  A 502 (-3.5A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.2A)
SAH  A 502 (-3.7A)
SAH  A 502 ( 4.8A)
 1.16A 3o7wA-5wp5A:
12.3		 3o7wA-5wp5A:
19.44
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.
6ar3 GSI-IIC RT

(Geobacillus
stearothermophilus) 		no annotation 5 ALA A  60
GLY A  31
GLY A  28
ASP A  35
TYR A  40
 None
 1.09A 3o7wA-6ar3A:
undetectable		 3o7wA-6ar3A:
24.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cfw MBH SUBUNIT
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT B
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT D

(Pyrococcus
furiosus;
Pyrococcus
furiosus;
Pyrococcus
furiosus) 		no annotation
no annotation
no annotation 		5 ALA F 139
GLY E  85
PHE E  80
ILE E  83
LEU H 118
 None
 1.11A 3o7wA-6cfwF:
undetectable		 3o7wA-6cfwF:
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.
6din DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A 119
ASP A  86
LEU A  87
ARG A  88
GLU A 142
 None
 1.04A 3o7wA-6dinA:
undetectable		 3o7wA-6dinA:
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.
6gnf -

(-) 		no annotation 5 ALA A 350
GLY A 471
ILE A 453
GLU A 465
VAL A 463
 None
 0.97A 3o7wA-6gnfA:
3.6		 3o7wA-6gnfA:
undetectable