SIMILAR PATTERNS OF AMINO ACIDS FOR 1KIA_A_SAMA293

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.
1bvy PROTEIN (CYTOCHROME
P450 BM-3)

(Bacillus
megaterium) 		PF00258
(Flavodoxin_1) 		5 ILE F 585
GLY F 568
VAL F 566
ALA F 605
GLY F 487
 None
None
None
FMN  F1002 ( 4.8A)
None
 0.92A 1kiaA-1bvyF:
undetectable		 1kiaA-1bvyF:
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.
1coy CHOLESTEROL OXIDASE

(Brevibacterium
sterolicum) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 480
VAL A 482
ALA A 386
GLY A 475
SER A 291
 None
None
None
FAD  A 510 (-3.6A)
None
 1.11A 1kiaA-1coyA:
undetectable		 1kiaA-1coyA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1coy CHOLESTEROL OXIDASE

(Brevibacterium
sterolicum) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 TYR A  21
GLY A 114
VAL A  95
ALA A  24
SER A 227
 FAD  A 510 (-4.4A)
FAD  A 510 (-3.0A)
None
None
None
 1.09A 1kiaA-1coyA:
undetectable		 1kiaA-1coyA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1evj GLUCOSE-FRUCTOSE
OXIDOREDUCTASE

(Zymomonas
mobilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ILE A 359
GLY A 215
SER A 187
GLY A 208
TYR A 360
 None
 1.06A 1kiaA-1evjA:
5.0		 1kiaA-1evjA:
22.31
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.
1g0n TRIHYDROXYNAPHTHALEN
E REDUCTASE

(Magnaporthe
grisea) 		PF13561
(adh_short_C2) 		5 TYR A 178
ILE A  41
GLY A 163
SER A 181
GLY A 209
 PHH  A 402 ( 4.0A)
NDP  A 400 (-4.1A)
None
None
PHH  A 402 (-4.3A)
 0.97A 1kiaA-1g0nA:
6.3		 1kiaA-1g0nA:
24.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gns SUBTILISIN BPN'

(Bacillus
amyloliquefaciens) 		PF00082
(Peptidase_S8) 		5 TYR A 171
ILE A 107
SER A 173
GLY A 128
TYR A 104
 None
 1.08A 1kiaA-1gnsA:
2.1		 1kiaA-1gnsA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h6d PRECURSOR FORM OF
GLUCOSE-FRUCTOSE
OXIDOREDUCTASE

(Zymomonas
mobilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ILE A 411
GLY A 267
SER A 239
GLY A 260
TYR A 412
 None
 1.09A 1kiaA-1h6dA:
5.0		 1kiaA-1h6dA:
22.51
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.
1jqi SHORT CHAIN ACYL-COA
DEHYDROGENASE

(Rattus
norvegicus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 TYR A  99
ILE A 239
GLY A 101
ALA A  57
GLY A 107
 None
 1.08A 1kiaA-1jqiA:
undetectable		 1kiaA-1jqiA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE

(Methanosarcina
barkeri) 		PF05369
(MtmB) 		5 ILE A 135
GLY A 129
VAL A 143
SER A 365
SER A 369
 None
None
None
XPL  A 202 ( 2.7A)
None
 0.97A 1kiaA-1l2qA:
undetectable		 1kiaA-1l2qA:
21.99
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.
1l9y FEZ-1 B-LACTAMASE

(Fluoribacter
gormanii) 		PF00753
(Lactamase_B) 		5 GLY A 261
VAL A 217
MET A 266
SER A 115
HIS A 116
 None
None
None
None
ZN  A   1 (-3.4A)
 1.11A 1kiaA-1l9yA:
undetectable		 1kiaA-1l9yA:
21.02
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.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 ILE A 290
GLY A 413
ALA A 404
TRP A 145
GLY A 423
 None
None
RS7  A 841 (-3.3A)
None
None
 1.07A 1kiaA-1loxA:
undetectable		 1kiaA-1loxA:
17.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mg5 ALCOHOL
DEHYDROGENASE

(Drosophila
melanogaster) 		PF00106
(adh_short) 		5 TYR A 152
ILE A  18
GLY A 138
ALA A 157
GLY A 183
 ACT  A 900 ( 4.2A)
NAI  A 850 (-3.9A)
None
None
NAI  A 850 (-4.9A)
 0.95A 1kiaA-1mg5A:
7.2		 1kiaA-1mg5A:
22.01
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.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum) 		PF01425
(Amidase) 		5 ILE A 168
GLY A 203
ALA A  99
MET A 207
GLY A 194
 None
 1.07A 1kiaA-1ocmA:
undetectable		 1kiaA-1ocmA:
21.79
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.
1r2j PROTEIN FKBI

(Streptomyces
hygroscopicus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A 225
VAL A 229
ALA A 220
MET A  80
GLY A 348
 None
 1.06A 1kiaA-1r2jA:
undetectable		 1kiaA-1r2jA:
24.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		9 GLY A  66
VAL A  69
ALA A  86
SER A  87
MET A  90
TRP A 117
GLY A 137
SER A 139
HIS A 142
 None
 0.68A 1kiaA-1r8yA:
35.7		 1kiaA-1r8yA:
95.55
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.
1uzn 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		6 TYR A 153
ILE A  27
GLY A 139
ALA A 158
SER A 156
GLY A 184
 None
NAP  A1249 (-4.1A)
None
None
None
None
 1.12A 1kiaA-1uznA:
6.3		 1kiaA-1uznA:
23.86
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.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		5 GLY A  48
SER A  69
MET A  72
SER A 112
HIS A 115
 SAM  A 302 (-3.6A)
SAM  A 302 (-4.7A)
SAM  A 302 (-3.9A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.8A)
 0.74A 1kiaA-1ve3A:
17.8		 1kiaA-1ve3A:
25.24
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.
1xfg GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING]

(Escherichia
coli) 		PF13522
(GATase_6) 		5 ILE A 189
GLY A 157
VAL A 159
ALA A 155
GLY A   2
 None
 0.94A 1kiaA-1xfgA:
undetectable		 1kiaA-1xfgA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yhu GIANT HEMOGLOBINS B
CHAIN
HEMOGLOBIN B2 CHAIN

(Riftia
pachyptila;
Riftia
pachyptila) 		PF00042
(Globin)
PF00042
(Globin) 		5 TYR B  20
ILE D  68
GLY B  71
GLY D  73
SER D  76
 None
None
HEM  B 160 ( 4.5A)
HEM  D 160 ( 4.1A)
None
 1.07A 1kiaA-1yhuB:
undetectable		 1kiaA-1yhuB:
17.87
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.
1z3v CELLULASE

(Phanerochaete
chrysosporium) 		PF00840
(Glyco_hydro_7) 		5 TYR A 106
GLY A 167
ALA A 162
MET A 146
SER A  36
 None
 1.12A 1kiaA-1z3vA:
undetectable		 1kiaA-1z3vA:
21.38
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.
2a0u INITIATION FACTOR 2B

(Leishmania
major) 		PF01008
(IF-2B) 		5 ILE A 359
GLY A 196
VAL A 201
SER A 193
GLY A 263
 None
 0.85A 1kiaA-2a0uA:
4.5		 1kiaA-2a0uA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b5u COLICIN E3

(Escherichia
coli) 		PF03515
(Cloacin)
PF09000
(Cytotoxic)
PF11570
(E2R135) 		5 ILE A 196
VAL A 185
ALA A 121
GLY A  91
TYR A 137
 None
 1.09A 1kiaA-2b5uA:
undetectable		 1kiaA-2b5uA:
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.
2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Pseudomonas sp.
B-0831) 		PF13561
(adh_short_C2) 		5 TYR A 153
ILE A  13
GLY A 113
SER A 156
GLY A 184
 NAI  A4000 (-4.8A)
NAI  A4000 (-4.0A)
None
None
NAI  A4000 (-4.8A)
 0.98A 1kiaA-2dknA:
undetectable		 1kiaA-2dknA:
25.00
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.
2j0a BETA-1,3-N-ACETYLGLU
COSAMINYLTRANSFERASE
MANIC FRINGE

(Mus musculus) 		PF02434
(Fringe) 		5 ILE A 203
SER A 120
MET A 123
GLY A 236
TYR A 166
 None
 1.09A 1kiaA-2j0aA:
undetectable		 1kiaA-2j0aA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ji9 OXALYL-COA
DECARBOXYLASE

(Oxalobacter
formigenes) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ILE A 482
SER A 422
MET A 428
TRP A 285
TYR A 483
 TPW  A1554 (-4.1A)
None
TPW  A1554 (-4.0A)
None
TPW  A1554 (-4.8A)
 1.10A 1kiaA-2ji9A:
undetectable		 1kiaA-2ji9A:
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.
2wsb GALACTITOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 TYR A 159
ILE A  23
GLY A 143
SER A 162
GLY A 190
 POL  A1255 (-3.8A)
NAD  A 500 (-3.9A)
None
None
POL  A1256 (-4.7A)
 0.97A 1kiaA-2wsbA:
8.1		 1kiaA-2wsbA:
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.
2z22 PERIPLASMIC
PHOSPHATE-BINDING
PROTEIN

(Yersinia pestis) 		no annotation 5 GLY X 246
ALA X 227
SER X 226
GLY X 214
SER X 211
 None
 0.90A 1kiaA-2z22X:
undetectable		 1kiaA-2z22X:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		no annotation 5 GLY E  78
VAL E  80
ALA E 102
GLY E 182
SER E 352
 None
 1.08A 1kiaA-3aoeE:
4.2		 1kiaA-3aoeE:
22.27
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.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		no annotation 5 ILE E 164
GLY E  78
VAL E  80
GLY E 182
SER E 352
 None
 1.01A 1kiaA-3aoeE:
4.2		 1kiaA-3aoeE:
22.27
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.
3cnj CHOLESTEROL OXIDASE

(Streptomyces
sp. SA-COO) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 TYR A  20
GLY A 114
VAL A  95
ALA A  23
SER A 227
 FAD  A 510 (-4.5A)
FAD  A 510 (-3.0A)
None
None
None
 1.07A 1kiaA-3cnjA:
3.0		 1kiaA-3cnjA:
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.
3d2u UL18 PROTEIN

(Human
betaherpesvirus
5) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 TYR A  62
GLY A  47
SER A  56
TRP A  51
GLY A  23
 None
 0.87A 1kiaA-3d2uA:
undetectable		 1kiaA-3d2uA:
22.54
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.
3dlc PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE

(Methanococcus
maripaludis) 		PF08241
(Methyltransf_11) 		5 GLY A  52
SER A  74
MET A  77
GLY A 118
SER A 119
 SAM  A 220 (-3.2A)
GOL  A 222 ( 3.2A)
SAM  A 220 ( 3.8A)
SAM  A 220 (-4.7A)
SAM  A 220 (-2.8A)
 0.97A 1kiaA-3dlcA:
15.3		 1kiaA-3dlcA:
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.
3do6 FORMATE--TETRAHYDROF
OLATE LIGASE

(Thermotoga
maritima) 		PF01268
(FTHFS) 		5 ILE A  25
ALA A 195
SER A 269
GLY A 116
TYR A  21
 None
None
None
None
EDO  A 549 (-4.5A)
 1.09A 1kiaA-3do6A:
undetectable		 1kiaA-3do6A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ebl GIBBERELLIN RECEPTOR
GID1

(Oryza sativa) 		PF07859
(Abhydrolase_3) 		5 ILE A 133
SER A 293
GLY A 121
SER A 198
TYR A 134
 None
None
GA4  A 401 ( 4.6A)
GA4  A 401 (-2.6A)
GA4  A 401 (-4.8A)
 1.05A 1kiaA-3eblA:
2.0		 1kiaA-3eblA:
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.
3ebl GIBBERELLIN RECEPTOR
GID1

(Oryza sativa) 		PF07859
(Abhydrolase_3) 		5 ILE A 133
SER A 293
GLY A 122
SER A 198
TYR A 134
 None
None
GA4  A 401 (-2.9A)
GA4  A 401 (-2.6A)
GA4  A 401 (-4.8A)
 1.00A 1kiaA-3eblA:
2.0		 1kiaA-3eblA:
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.
3fw8 RETICULINE OXIDASE

(Eschscholzia
californica) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ILE A 460
GLY A 226
ALA A 230
GLY A 177
SER A 176
 None
FAD  A   1 (-3.9A)
FAD  A   1 ( 4.5A)
None
FAD  A   1 ( 4.3A)
 1.12A 1kiaA-3fw8A:
undetectable		 1kiaA-3fw8A:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fy3 HEMOLYSIN

(Proteus
mirabilis) 		PF05860
(Haemagg_act) 		5 ILE A 252
GLY A 217
SER A 230
GLY A 260
SER A 259
 None
 1.12A 1kiaA-3fy3A:
undetectable		 1kiaA-3fy3A:
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.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2) 		5 ILE A 173
ALA A  62
SER A  63
TRP A 255
GLY A  73
 None
FAD  A1000 ( 4.3A)
None
None
None
 1.08A 1kiaA-3gyxA:
undetectable		 1kiaA-3gyxA:
19.00
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		5 ILE A1599
VAL A1538
SER A 415
GLY A1635
HIS A 422
 None
 0.90A 1kiaA-3hmjA:
6.0		 1kiaA-3hmjA:
9.72
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.
3lyl 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Francisella
tularensis) 		PF13561
(adh_short_C2) 		5 TYR A 154
ILE A  17
GLY A 140
ALA A 159
GLY A 185
 None
 1.08A 1kiaA-3lylA:
8.1		 1kiaA-3lylA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m8u HEME-BINDING PROTEIN
A

(Glaesserella
parasuis) 		PF00496
(SBP_bac_5) 		5 ILE A 414
GLY A 428
ALA A 499
GLY A 425
TYR A 413
 MLI  A   3 ( 3.9A)
GDS  A   1 (-3.6A)
None
None
None
 1.04A 1kiaA-3m8uA:
undetectable		 1kiaA-3m8uA:
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.
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		5 ILE A 828
GLY A 790
VAL A 785
TRP A 201
HIS A 295
 None
 0.96A 1kiaA-3nzuA:
undetectable		 1kiaA-3nzuA:
15.14
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.
3pig BETA-FRUCTOFURANOSID
ASE

(Bifidobacterium
longum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ILE A 343
GLY A 254
VAL A 252
ALA A 257
SER A 256
 None
 1.07A 1kiaA-3pigA:
undetectable		 1kiaA-3pigA:
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.
3px2 N-METHYLTRANSFERASE

(Streptomyces
fradiae) 		PF13649
(Methyltransf_25) 		5 TYR A  14
GLY A  60
SER A  81
MET A  84
SER A 120
 SAH  A 263 ( 3.9A)
SAH  A 263 (-3.3A)
SAH  A 263 (-4.7A)
SAH  A 263 (-4.5A)
SAH  A 263 (-3.3A)
 0.72A 1kiaA-3px2A:
22.7		 1kiaA-3px2A:
25.84
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.
3q3q ALKALINE PHOSPHATASE

(Sphingomonas
sp. BSAR-1) 		PF01663
(Phosphodiest) 		5 VAL A 501
ALA A 298
SER A 297
GLY A 348
HIS A 304
 None
None
None
None
ZN  A1561 ( 3.2A)
 0.99A 1kiaA-3q3qA:
undetectable		 1kiaA-3q3qA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Sus scrofa) 		PF00305
(Lipoxygenase) 		5 ILE A 290
GLY A 413
ALA A 404
TRP A 145
GLY A 423
 None
None
OYP  A 664 (-3.3A)
None
None
 1.10A 1kiaA-3rdeA:
undetectable		 1kiaA-3rdeA:
20.07
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.
3rku OXIDOREDUCTASE
YMR226C

(Saccharomyces
cerevisiae) 		PF00106
(adh_short) 		5 TYR A 168
ILE A  25
GLY A 154
SER A 171
GLY A 199
 NAP  A 268 (-4.8A)
NAP  A 268 (-3.9A)
None
None
NAP  A 268 (-4.7A)
 1.07A 1kiaA-3rkuA:
7.3		 1kiaA-3rkuA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s4l CAS3 METAL DEPENDENT
PHOSPHOHYDROLASE

(Methanocaldococcus
jannaschii) 		no annotation 5 TYR A  98
ILE A 156
GLY A  69
ALA A  96
GLY A 154
 None
 1.10A 1kiaA-3s4lA:
undetectable		 1kiaA-3s4lA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v2g 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		6 TYR A 180
ILE A  43
GLY A 165
ALA A 185
SER A 183
GLY A 211
 None
 1.21A 1kiaA-3v2gA:
7.5		 1kiaA-3v2gA:
24.62
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.
3wcu A2 GLOBIN CHAIN OF
GIANT V2 HEMOGLOBIN
B2 GLOBIN CHAIN OF
GIANT V2 HEMOGLOBIN

(Lamellibrachia
satsuma;
Lamellibrachia
satsuma) 		PF00042
(Globin)
PF00042
(Globin) 		5 TYR B  19
ILE C  69
GLY B  70
GLY C  74
SER C  77
 None
None
HEM  B 201 ( 4.1A)
HEM  C 200 (-3.9A)
None
 1.12A 1kiaA-3wcuB:
undetectable		 1kiaA-3wcuB:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wst PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Caenorhabditis
elegans) 		PF13649
(Methyltransf_25) 		5 ILE A 192
GLY A 209
ALA A 212
GLY A 348
SER A 351
 None
 1.06A 1kiaA-3wstA:
7.9		 1kiaA-3wstA:
18.62
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.
3wtb PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		5 TYR A 152
ILE A  15
GLY A 137
ALA A 157
GLY A 183
 None
 1.08A 1kiaA-3wtbA:
6.6		 1kiaA-3wtbA:
22.08
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.
4a9a RIBOSOME-INTERACTING
GTPASE 1

(Saccharomyces
cerevisiae) 		PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn) 		5 ILE A 122
GLY A  69
VAL A  71
ALA A  66
SER A  67
 None
 1.05A 1kiaA-4a9aA:
undetectable		 1kiaA-4a9aA:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4as3 PHOSPHORYLCHOLINE
PHOSPHATASE

(Pseudomonas
aeruginosa) 		no annotation 5 ILE A 165
VAL A  29
ALA A 314
TRP A 318
GLY A 261
 None
 1.04A 1kiaA-4as3A:
5.1		 1kiaA-4as3A:
22.06
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.
4c22 L-FUCOSE ISOMERASE

(Streptococcus
pneumoniae) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 ILE A 105
ALA A  67
SER A  69
GLY A  91
TYR A 118
 None
 1.03A 1kiaA-4c22A:
undetectable		 1kiaA-4c22A:
20.49
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.
4c22 L-FUCOSE ISOMERASE

(Streptococcus
pneumoniae) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 ILE A 105
ALA A  68
SER A  69
GLY A  91
TYR A 118
 None
 1.09A 1kiaA-4c22A:
undetectable		 1kiaA-4c22A:
20.49
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.
4cqm CARBONYL REDUCTASE
FAMILY MEMBER 4

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 TYR B 148
ILE B  14
GLY B 134
SER B 151
GLY B 179
 None
NAP  B 301 (-3.7A)
None
None
None
 1.11A 1kiaA-4cqmB:
8.1		 1kiaA-4cqmB:
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.
4e4y SHORT CHAIN
DEHYDROGENASE FAMILY
PROTEIN

(Francisella
tularensis) 		PF13561
(adh_short_C2) 		5 TYR A 137
ILE A  13
GLY A 123
SER A 140
GLY A 168
 GOL  A 306 (-4.8A)
None
None
None
GOL  A 306 (-4.7A)
 1.08A 1kiaA-4e4yA:
6.9		 1kiaA-4e4yA:
23.86
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.
4fgs PROBABLE
DEHYDROGENASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		6 TYR A 151
ILE A  19
GLY A 137
ALA A 156
SER A 154
GLY A 182
 None
 1.16A 1kiaA-4fgsA:
8.2		 1kiaA-4fgsA:
23.05
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.
4fqu PUTATIVE GLUTATHIONE
TRANSFERASE

(Sphingobium
chlorophenolicum) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		5 TYR A 285
ILE A 122
VAL A  77
SER A 288
HIS A 289
 None
 1.02A 1kiaA-4fquA:
undetectable		 1kiaA-4fquA:
22.99
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.
4g4s PROTEASOME CHAPERONE
1
PROTEASOME ASSEMBLY
CHAPERONE 2

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF10450
(POC1)
PF09754
(PAC2) 		5 ILE O  52
GLY O 198
ALA P  69
SER P  68
GLY O 147
 None
 1.12A 1kiaA-4g4sO:
undetectable		 1kiaA-4g4sO:
21.81
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.
4gxw ADENOSINE DEAMINASE

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		5 GLY A 241
VAL A 245
ALA A 214
GLY A 220
TYR A 270
 None
 1.12A 1kiaA-4gxwA:
undetectable		 1kiaA-4gxwA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iil MEMBRANE LIPOPROTEIN
TPN38(B)

(Treponema
pallidum) 		PF02608
(Bmp) 		5 ILE A 303
VAL A 135
ALA A 167
GLY A 249
SER A 251
 None
 1.12A 1kiaA-4iilA:
undetectable		 1kiaA-4iilA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4imr 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		5 TYR A 159
ILE A  23
GLY A 145
ALA A 164
GLY A 190
 NAP  A 300 (-4.4A)
NAP  A 300 (-4.0A)
None
None
NAP  A 300 (-4.9A)
 0.99A 1kiaA-4imrA:
7.3		 1kiaA-4imrA:
23.15
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 TYR A 187
GLY A 234
SER A 256
MET A 259
HIS A 303
 SAH  A 501 ( 4.1A)
SAH  A 501 (-3.6A)
SAH  A 501 (-4.5A)
SAH  A 501 (-3.9A)
SAH  A 501 (-4.0A)
 0.68A 1kiaA-4ineA:
15.7		 1kiaA-4ineA:
20.13
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.
4jro FABG PROTEIN

(Listeria
monocytogenes) 		PF13561
(adh_short_C2) 		5 TYR A 155
ILE A  17
ALA A 160
SER A 158
GLY A 186
 None
 1.11A 1kiaA-4jroA:
6.6		 1kiaA-4jroA:
24.07
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.
4k3g IMMUNOGLOBULIN
LAMBDA VARIABLE
DOMAIN L5(L89S)

(Homo sapiens) 		PF07686
(V-set) 		5 GLY A  24
VAL A   3
ALA A  72
TRP A  35
GLY A 100
 None
 1.10A 1kiaA-4k3gA:
undetectable		 1kiaA-4k3gA:
17.01
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 TYR A 183
GLY A 230
SER A 252
MET A 255
HIS A 299
 SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-4.2A)
 0.75A 1kiaA-4kriA:
16.0		 1kiaA-4kriA:
20.77
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.
4lvu OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Burkholderia
thailandensis) 		PF13561
(adh_short_C2) 		5 TYR A 178
ILE A  41
GLY A 164
ALA A 183
GLY A 209
 None
 1.00A 1kiaA-4lvuA:
8.4		 1kiaA-4lvuA:
22.05
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.
4o9h LIGHT CHAIN OF THE
CAMELID FAB FRAGMENT
61H7

(Lama glama) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY L  23
VAL L   3
ALA L  74
TRP L  37
GLY L 102
 None
 1.06A 1kiaA-4o9hL:
undetectable		 1kiaA-4o9hL:
22.76
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.
4tkm NADH-DEPENDENT
REDUCTASE FOR
4-DEOXY-L-ERYTHRO-5-
HEXOSEULOSE URONATE

(Sphingomonas
sp. A1) 		PF13561
(adh_short_C2) 		5 GLY A 157
ALA A 166
GLY A 195
SER A 150
HIS A 172
 None
 1.12A 1kiaA-4tkmA:
7.3		 1kiaA-4tkmA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w7h CARBONYL REDUCTASE

(Sphingomonas
sp. A1) 		PF13561
(adh_short_C2) 		5 TYR A 164
ILE A  19
GLY A 149
ALA A 169
GLY A 195
 None
 1.12A 1kiaA-4w7hA:
7.4		 1kiaA-4w7hA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y7d ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Nakamurella
multipartita) 		PF00561
(Abhydrolase_1) 		5 ILE A 172
VAL A 280
ALA A 129
SER A 104
GLY A 273
 None
None
None
None
CL  A 501 ( 3.7A)
 1.06A 1kiaA-4y7dA:
2.7		 1kiaA-4y7dA:
22.16
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.
5cd2 ENDO-1,4-D-GLUCANASE

(Aliivibrio
fischeri) 		PF01270
(Glyco_hydro_8) 		5 ILE A 346
VAL A 320
ALA A 266
GLY A 302
TYR A 342
 None
 0.95A 1kiaA-5cd2A:
undetectable		 1kiaA-5cd2A:
21.73
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.
5cej 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Yersinia pestis) 		PF13561
(adh_short_C2) 		5 TYR A 151
ILE A  17
GLY A 137
ALA A 156
GLY A 182
 None
 1.04A 1kiaA-5cejA:
7.8		 1kiaA-5cejA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		5 TYR X  50
ILE X 214
ALA X  47
GLY X 143
HIS X 121
 None
None
ALY  X  79 ( 3.4A)
None
None
 0.99A 1kiaA-5eztX:
undetectable		 1kiaA-5eztX:
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.
5f8e METHYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF13847
(Methyltransf_31) 		5 ILE A  51
VAL A  62
ALA A  25
MET A  69
GLY A  35
 None
 1.09A 1kiaA-5f8eA:
16.8		 1kiaA-5f8eA:
22.08
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.
5f8e METHYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF13847
(Methyltransf_31) 		5 ILE A  74
VAL A  28
ALA A  52
MET A  40
GLY A  68
 None
 1.12A 1kiaA-5f8eA:
16.8		 1kiaA-5f8eA:
22.08
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.
5fg3 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		5 ILE A 550
GLY A 496
VAL A 486
ALA A 538
GLY A 557
 None
 1.07A 1kiaA-5fg3A:
undetectable		 1kiaA-5fg3A:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fub PROTEIN ARGININE
METHYLTRANSFERASE 2

(Danio rerio) 		PF13649
(Methyltransf_25) 		5 TYR A  84
GLY A 125
VAL A 128
ALA A 147
SER A 148
 SAH  A 409 ( 3.6A)
SAH  A 409 ( 3.7A)
None
SAH  A 409 (-3.5A)
SAH  A 409 ( 4.2A)
 0.75A 1kiaA-5fubA:
8.7		 1kiaA-5fubA:
23.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h02 GLYCINE SARCOSINE
N-METHYLTRANSFERASE

(Methanohalophilus
portucalensis) 		PF13649
(Methyltransf_25) 		6 GLY A  69
SER A  90
MET A  93
TRP A 115
GLY A 133
SER A 135
 SAH  A 301 (-3.3A)
SAH  A 301 ( 4.9A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.6A)
SAH  A 301 ( 3.3A)
SAH  A 301 (-3.1A)
 0.69A 1kiaA-5h02A:
20.6		 1kiaA-5h02A:
30.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hax NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF08801
(Nucleoporin_N) 		5 ILE A 646
GLY A 733
ALA A 756
GLY A 650
SER A 670
 None
 1.12A 1kiaA-5haxA:
undetectable		 1kiaA-5haxA:
16.96
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.
5hsi PUTATIVE
DECARBOXYLASE

(Lactobacillus
brevis) 		PF00282
(Pyridoxal_deC) 		5 TYR A 334
ILE A 403
ALA A 337
GLY A 138
HIS A 453
 None
 0.79A 1kiaA-5hsiA:
2.2		 1kiaA-5hsiA:
18.62
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.
5j5d 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00701
(DHDPS) 		5 ILE A 211
GLY A 109
VAL A  50
GLY A  13
TYR A 192
 None
 1.10A 1kiaA-5j5dA:
undetectable		 1kiaA-5j5dA:
24.70
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.
5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA

(Methylobacillus
flagellatus) 		PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 GLY C 228
ALA C 211
GLY C  14
SER C 238
HIS C 205
 None
None
None
None
MN  C2002 (-3.6A)
 1.08A 1kiaA-5ks8C:
undetectable		 1kiaA-5ks8C:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 5 GLY A 480
ALA A 471
MET A 481
GLY A 567
HIS A 587
 None
 1.03A 1kiaA-5m41A:
undetectable		 1kiaA-5m41A:
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.
5no5 ABYA5

(Verrucosispora) 		no annotation 5 TYR A 187
ALA A 192
SER A 191
GLY A 149
SER A 219
 None
 1.02A 1kiaA-5no5A:
2.3		 1kiaA-5no5A:
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.
5ods CLATHRIN HEAVY CHAIN
1

(Mus musculus) 		no annotation 5 ILE A 282
GLY A 314
ALA A 311
GLY A 317
HIS A  12
 None
 0.89A 1kiaA-5odsA:
undetectable		 1kiaA-5odsA:
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.
5ol2 ACYL-COA
DEHYDROGENASE

(Clostridioides
difficile) 		no annotation 5 GLY C 244
VAL C 298
ALA C  88
GLY C 251
SER C  76
 None
 1.10A 1kiaA-5ol2C:
undetectable		 1kiaA-5ol2C:
21.09
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.
5ovk 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Mycolicibacterium
smegmatis) 		no annotation 5 TYR A 161
ILE A  35
GLY A 147
ALA A 166
GLY A 192
 None
NDP  A 301 ( 4.5A)
None
None
None
 1.09A 1kiaA-5ovkA:
5.7		 1kiaA-5ovkA:
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.
5ovl 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Mycolicibacterium
smegmatis) 		no annotation 5 TYR A 161
ILE A  35
GLY A 147
ALA A 166
GLY A 192
 NAP  A1001 (-4.6A)
NAP  A1001 (-4.0A)
None
None
NAP  A1001 (-4.9A)
 1.03A 1kiaA-5ovlA:
6.7		 1kiaA-5ovlA:
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.
5sym ACYL-PROTEIN
THIOESTERASE 1

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		5 ILE A 222
GLY A 116
VAL A  24
ALA A 123
GLY A 138
 None
 0.86A 1kiaA-5symA:
2.9		 1kiaA-5symA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5twb FERREDOXIN--NADP
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		5 ILE A 117
GLY A   8
VAL A  32
ALA A  16
GLY A  38
 FAD  A 401 (-4.8A)
FAD  A 401 (-3.2A)
FAD  A 401 (-4.1A)
None
FAD  A 401 (-3.2A)
 1.02A 1kiaA-5twbA:
2.8		 1kiaA-5twbA:
22.31
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.
5u2a AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Brucella canis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 TYR A 228
GLY A 259
ALA A 224
MET A 229
GLY A 252
 None
 1.08A 1kiaA-5u2aA:
2.2		 1kiaA-5u2aA:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2w SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		6 TYR A 155
ILE A  18
GLY A 140
ALA A 160
SER A 158
GLY A 186
 IMD  A 304 ( 4.3A)
NAP  A 301 (-4.0A)
None
None
None
NAP  A 301 (-4.7A)
 1.19A 1kiaA-5u2wA:
7.4		 1kiaA-5u2wA:
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.
5ubk ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		5 ILE A 451
GLY A 478
VAL A 475
ALA A   1
GLY A 454
 None
None
None
83M  A 801 (-3.0A)
None
 1.05A 1kiaA-5ubkA:
undetectable		 1kiaA-5ubkA:
18.20
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 TYR A 246
GLY A 292
SER A 314
MET A 317
HIS A 360
 SAH  A 703 ( 4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.8A)
SAH  A 703 (-4.0A)
 0.90A 1kiaA-5wp4A:
16.4		 1kiaA-5wp4A:
19.56
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.
5wva SHORT-CHAIN
DEHYDROGENASE

(Serratia
marcescens) 		no annotation 5 TYR A 158
ILE A  21
GLY A 143
SER A 161
GLY A 189
 None
 0.98A 1kiaA-5wvaA:
7.8		 1kiaA-5wvaA:
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B

(Flavobacterium
johnsoniae) 		no annotation 6 ILE B 478
GLY B 142
ALA B 138
SER B 139
TRP B 574
GLY B 916
 None
 1.31A 1kiaA-6btmB:
undetectable		 1kiaA-6btmB:
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.
6c8z ADP-DEPENDENT
PHOSPHOFRUCTOKINASE

(Methanosarcinales) 		no annotation 5 TYR A  10
ILE A 454
ALA A 392
GLY A 418
SER A 415
 None
 1.08A 1kiaA-6c8zA:
6.4		 1kiaA-6c8zA:
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.
5wti CRISPR-ASSOCIATED
PROTEIN

(Bacillus
thermoamylovorans) 		no annotation 4 TRP Z 850
ARG Z 791
ASP Z 574
ASN Z 954
 None
None
MG  Z1202 (-2.3A)
None
 1.46A 1kiaA-5wtiZ:
0.3		 1kiaA-5wtiZ:
13.74