SIMILAR PATTERNS OF AMINO ACIDS FOR 1KIA_C_SAMC2293_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.
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
 0.91A 1kiaC-1bvyF:
undetectable		 1kiaC-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.
1fp9 4-ALPHA-GLUCANOTRANS
FERASE

(Thermus
thermophilus) 		PF02446
(Glyco_hydro_77) 		5 ILE A 292
VAL A 337
MET A 361
GLY A 212
LEU A   9
 None
 1.03A 1kiaC-1fp9A:
undetectable		 1kiaC-1fp9A:
21.31
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.
1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase) 		5 GLY A 144
ASP A  53
MET A 142
GLY A 171
LEU A 194
 None
CA  A 604 ( 3.4A)
None
ALS  A  91 ( 4.4A)
None
 1.14A 1kiaC-1fsuA:
undetectable		 1kiaC-1fsuA:
21.06
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.
1g7u 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Escherichia
coli) 		PF00793
(DAHP_synth_1) 		5 ILE A 164
GLY A 235
VAL A  13
ALA A 225
LEU A 255
 None
 1.03A 1kiaC-1g7uA:
undetectable		 1kiaC-1g7uA:
20.45
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.
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
 1.09A 1kiaC-1jqiA:
undetectable		 1kiaC-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.
1kq3 GLYCEROL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 ILE A 334
GLY A 257
GLY A 276
HIS A 269
LEU A 268
 None
None
None
ZN  A 401 ( 3.3A)
None
 0.98A 1kiaC-1kq3A:
2.4		 1kiaC-1kq3A:
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.
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
 1.08A 1kiaC-1loxA:
undetectable		 1kiaC-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)
 0.96A 1kiaC-1mg5A:
6.9		 1kiaC-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.
1nvt SHIKIMATE
5'-DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 ILE A 154
VAL A 189
ASP A 190
ALA A 242
GLY A 193
 None
 0.86A 1kiaC-1nvtA:
6.3		 1kiaC-1nvtA:
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.
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 1kiaC-1ocmA:
undetectable		 1kiaC-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.
1poj ISOASPARTYL
DIPEPTIDASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 GLY A 102
VAL A 100
ASP A  66
ALA A 136
GLY A 286
 None
 0.98A 1kiaC-1pojA:
undetectable		 1kiaC-1pojA:
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.
1pw4 GLYCEROL-3-PHOSPHATE
TRANSPORTER

(Escherichia
coli) 		PF07690
(MFS_1) 		5 ILE A 403
GLY A 416
VAL A 419
GLY A 271
LEU A 280
 None
 1.13A 1kiaC-1pw4A:
undetectable		 1kiaC-1pw4A:
21.63
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.
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
 1.05A 1kiaC-1r2jA:
undetectable		 1kiaC-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) 		8 GLY A  66
VAL A  69
ALA A  86
MET A  90
TRP A 117
GLY A 137
HIS A 142
LEU A 143
 None
 0.77A 1kiaC-1r8yA:
35.7		 1kiaC-1r8yA:
95.55
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) 		8 GLY A  66
VAL A  69
ASP A  70
ALA A  86
MET A  90
TRP A 117
GLY A 137
LEU A 143
 None
 0.66A 1kiaC-1r8yA:
35.7		 1kiaC-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) 		5 TYR A 153
ILE A  27
GLY A 139
ALA A 158
GLY A 184
 None
NAP  A1249 (-4.1A)
None
None
None
 1.04A 1kiaC-1uznA:
6.9		 1kiaC-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.
1v59 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 324
VAL A 322
ALA A 333
GLY A  12
LEU A  45
 FAD  A 480 (-3.2A)
None
FAD  A 480 (-3.4A)
FAD  A 480 (-3.1A)
None
 1.01A 1kiaC-1v59A:
2.7		 1kiaC-1v59A:
21.22
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ILE A 387
GLY A 423
ALA A  61
GLY A 418
LEU A  85
 None
 1.04A 1kiaC-1v5fA:
3.2		 1kiaC-1v5fA:
19.73
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.
1vjn ZN-DEPENDENT
HYDROLASE OF
METALLO-BETA-LACTAMA
SE SUPERFAMILY
TM0207

(Thermotoga
maritima) 		PF13483
(Lactamase_B_3) 		5 ILE A  20
GLY A 101
VAL A  74
GLY A  17
HIS A   0
 None
 1.14A 1kiaC-1vjnA:
undetectable		 1kiaC-1vjnA:
19.13
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.
1wls L-ASPARAGINASE

(Pyrococcus
horikoshii) 		PF00710
(Asparaginase) 		5 TYR A 168
ILE A 138
GLY A 322
HIS A 183
TYR A 139
 None
 1.12A 1kiaC-1wlsA:
undetectable		 1kiaC-1wlsA:
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.
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
 0.93A 1kiaC-1xfgA:
undetectable		 1kiaC-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.
1zg4 BETA-LACTAMASE TEM

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		5 ILE A 282
VAL A  44
ALA A 185
GLY A 245
LEU A  75
 None
 1.08A 1kiaC-1zg4A:
undetectable		 1kiaC-1zg4A:
23.75
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.
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
 1.08A 1kiaC-2b5uA:
undetectable		 1kiaC-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.
2ozg GCN5-RELATED
N-ACETYLTRANSFERASE

(Trichormus
variabilis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 ILE A  19
VAL A  41
ALA A  79
GLY A  61
LEU A 104
 None
 1.04A 1kiaC-2ozgA:
undetectable		 1kiaC-2ozgA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yfq NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Peptoniphilus
asaccharolyticus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ILE A 142
GLY A  67
ALA A 414
TRP A 420
LEU A  31
 None
 1.12A 1kiaC-2yfqA:
3.6		 1kiaC-2yfqA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z06 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0625

(Thermus
thermophilus) 		PF13277
(YmdB) 		5 ILE A   6
GLY A  14
VAL A  18
ALA A 222
GLY A  36
 None
 1.12A 1kiaC-2z06A:
undetectable		 1kiaC-2z06A:
26.54
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.
3cdx SUCCINYLGLUTAMATEDES
UCCINYLASE/ASPARTOAC
YLASE

(Rhodobacter
sphaeroides) 		PF04952
(AstE_AspA) 		5 GLY A 224
VAL A 220
ALA A 183
GLY A  68
LEU A 210
 None
 1.03A 1kiaC-3cdxA:
undetectable		 1kiaC-3cdxA:
22.10
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.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 TYR D 327
ILE D 472
VAL D 293
ALA D 331
TYR D 473
 None
 1.03A 1kiaC-3dzuD:
undetectable		 1kiaC-3dzuD:
20.48
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.
3e9a 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Vibrio cholerae) 		PF00793
(DAHP_synth_1) 		5 ILE A 164
GLY A 235
VAL A  13
ALA A 225
LEU A 255
 None
 1.07A 1kiaC-3e9aA:
undetectable		 1kiaC-3e9aA:
20.45
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.
3fnb ACYLAMINOACYL
PEPTIDASE SMU_737

(Streptococcus
mutans) 		PF12146
(Hydrolase_4) 		5 ILE A  15
GLY A  31
GLY A 373
LEU A 336
TYR A  13
 None
 1.12A 1kiaC-3fnbA:
2.8		 1kiaC-3fnbA:
22.63
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.
3fsx TETRAHYDRODIPICOLINA
TE
N-SUCCINYLTRANSFERAS
E

(Mycobacterium
tuberculosis) 		PF14602
(Hexapep_2)
PF14789
(THDPS_M) 		5 ILE A 202
GLY A 215
VAL A 198
ALA A 258
LEU A 288
 None
 1.02A 1kiaC-3fsxA:
undetectable		 1kiaC-3fsxA:
24.93
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.
3fw8 RETICULINE OXIDASE

(Eschscholzia
californica) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ILE A 175
GLY A 164
ALA A 336
GLY A 170
LEU A 349
 None
FAD  A   1 (-3.4A)
None
FAD  A   1 (-3.4A)
None
 1.07A 1kiaC-3fw8A:
undetectable		 1kiaC-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.
3l2e GLYCOCYAMINE KINASE
ALPHA CHAIN

(Namalycastis
sp. ST01) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 ILE A 246
VAL A 238
ALA A 304
GLY A 267
LEU A 127
 None
 1.11A 1kiaC-3l2eA:
undetectable		 1kiaC-3l2eA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lkv UNCHARACTERIZED
CONSERVED DOMAIN
PROTEIN

(Vibrio cholerae) 		PF04392
(ABC_sub_bind) 		5 GLY A  94
VAL A 117
ALA A  31
GLY A 138
LEU A 277
 None
PHE  A 601 (-3.7A)
None
None
None
 1.08A 1kiaC-3lkvA:
undetectable		 1kiaC-3lkvA:
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.
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
 1.09A 1kiaC-3lylA:
7.8		 1kiaC-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
 1.06A 1kiaC-3m8uA:
undetectable		 1kiaC-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.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 ILE A 310
ASP A 274
ALA A 287
GLY A 306
LEU A 264
 None
None
None
LLX  A 400 (-3.7A)
None
 1.09A 1kiaC-3maxA:
3.1		 1kiaC-3maxA:
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.
3n7t MACROPHAGE BINDING
PROTEIN

(Coccidioides
immitis) 		PF01965
(DJ-1_PfpI) 		5 GLY A 166
ALA A 145
GLY A 171
HIS A 111
LEU A 186
 None
 1.10A 1kiaC-3n7tA:
3.7		 1kiaC-3n7tA:
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.
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
 0.95A 1kiaC-3nzuA:
undetectable		 1kiaC-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.
3ocr CLASS II
ALDOLASE/ADDUCIN
DOMAIN PROTEIN

(Pseudomonas
savastanoi) 		PF00596
(Aldolase_II) 		5 ILE A 102
VAL A  87
ASP A  88
ALA A 116
TYR A 104
 None
 1.13A 1kiaC-3ocrA:
undetectable		 1kiaC-3ocrA:
19.94
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 ILE B 530
GLY B 380
ASP B 335
ALA B 386
LEU B 464
 None
 1.08A 1kiaC-3opyB:
undetectable		 1kiaC-3opyB:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pf0 IMELYSIN-LIKE
PROTEIN

(Psychrobacter
arcticus) 		PF09375
(Peptidase_M75) 		5 ILE A 172
GLY A 167
GLY A 195
LEU A 152
TYR A 213
 None
 0.95A 1kiaC-3pf0A:
undetectable		 1kiaC-3pf0A:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qyq DEOXYRIBOSE-PHOSPHAT
E ALDOLASE, PUTATIVE

(Toxoplasma
gondii) 		no annotation 5 ILE A  59
GLY A  48
VAL A  75
ASP A 104
GLY A  72
 None
 0.96A 1kiaC-3qyqA:
undetectable		 1kiaC-3qyqA:
22.69
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.
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
 1.11A 1kiaC-3rdeA:
undetectable		 1kiaC-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.
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
 1.09A 1kiaC-3s4lA:
undetectable		 1kiaC-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) 		5 TYR A 180
ILE A  43
GLY A 165
ALA A 185
GLY A 211
 None
 1.14A 1kiaC-3v2gA:
7.3		 1kiaC-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.
3v2i PEPTIDYL-TRNA
HYDROLASE

(Burkholderia
thailandensis) 		PF01195
(Pept_tRNA_hydro) 		5 ILE A  88
GLY A   7
ALA A  22
LEU A  95
TYR A 128
 None
 1.09A 1kiaC-3v2iA:
undetectable		 1kiaC-3v2iA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vue GRANULE-BOUND STARCH
SYNTHASE 1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 ILE A 378
GLY A 498
ASP A 476
MET A 564
GLY A 474
 None
 1.14A 1kiaC-3vueA:
2.8		 1kiaC-3vueA:
20.53
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.
3vup BETA-1,4-MANNANASE

(Aplysia kurodai) 		PF00150
(Cellulase) 		5 ILE A 211
GLY A 156
VAL A 220
ASP A 257
GLY A 217
 None
 0.90A 1kiaC-3vupA:
undetectable		 1kiaC-3vupA:
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.
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
 1.09A 1kiaC-3wtbA:
7.1		 1kiaC-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.
3zdj ENCA BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		5 ILE A 282
VAL A  44
ALA A 185
GLY A 245
LEU A  75
 None
 1.03A 1kiaC-3zdjA:
undetectable		 1kiaC-3zdjA:
23.66
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.
3zfc CHROMOSOME-ASSOCIATE
D KINESIN KIF4

(Mus musculus) 		PF00225
(Kinesin) 		5 ASP A 281
ALA A 331
GLY A 303
LEU A 309
TYR A 289
 None
 0.88A 1kiaC-3zfcA:
undetectable		 1kiaC-3zfcA:
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.
4as3 PHOSPHORYLCHOLINE
PHOSPHATASE

(Pseudomonas
aeruginosa) 		no annotation 5 ILE A 165
VAL A  29
ALA A 314
TRP A 318
GLY A 261
 None
 1.05A 1kiaC-4as3A:
5.0		 1kiaC-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.
4bhd SERINE
HYDROXYMETHYLTRANSFE
RASE

(Methanocaldococcus
jannaschii) 		PF00464
(SHMT) 		5 ILE A 204
GLY A 169
VAL A 200
ALA A 113
GLY A 222
 None
 1.14A 1kiaC-4bhdA:
3.4		 1kiaC-4bhdA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fgs PROBABLE
DEHYDROGENASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		5 TYR A 151
ILE A  19
GLY A 137
ALA A 156
GLY A 182
 None
 1.04A 1kiaC-4fgsA:
8.1		 1kiaC-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.
4gp1 POLYPRENYL
SYNTHETASE

(Pyrobaculum
calidifontis) 		PF00348
(polyprenyl_synt) 		5 ILE A 178
GLY A 186
VAL A 181
ALA A 192
LEU A 327
 None
 0.95A 1kiaC-4gp1A:
undetectable		 1kiaC-4gp1A:
21.83
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.
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
 1.13A 1kiaC-4gxwA:
undetectable		 1kiaC-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.
4hfn ALLYL ALCOHOL
DEHYDROGENASE

(Nicotiana
tabacum) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 ILE A 120
GLY A 101
VAL A  82
GLY A 135
LEU A 283
 None
None
None
None
NAP  A 400 ( 4.3A)
 0.83A 1kiaC-4hfnA:
7.7		 1kiaC-4hfnA:
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.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 TYR A 779
VAL A 554
ALA A 650
GLY A 657
LEU A 632
 None
 1.03A 1kiaC-4hsuA:
3.5		 1kiaC-4hsuA:
17.76
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.
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)
 1.00A 1kiaC-4imrA:
7.0		 1kiaC-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.
4iu9 NITRITE EXTRUSION
PROTEIN 2

(Escherichia
coli) 		no annotation 5 ILE B 309
GLY B 362
ALA B 263
GLY B 315
LEU B 449
 None
 1.13A 1kiaC-4iu9B:
undetectable		 1kiaC-4iu9B:
19.66
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.
4j72 PHOSPHO-N-ACETYLMURA
MOYL-PENTAPEPTIDE-TR
ANSFERASE

(Aquifex
aeolicus) 		PF00953
(Glycos_transf_4)
PF10555
(MraY_sig1) 		5 ILE A 287
GLY A 211
VAL A 213
ALA A 243
LEU A 104
 None
 0.92A 1kiaC-4j72A:
undetectable		 1kiaC-4j72A:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.09A 1kiaC-4k3gA:
undetectable		 1kiaC-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.
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
 1.01A 1kiaC-4lvuA:
8.3		 1kiaC-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 1kiaC-4o9hL:
undetectable		 1kiaC-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.
4pdx PUTATIVE
ALKYL/ARYL-SULFATASE
YJCS

(Escherichia
coli) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 VAL A 152
ASP A 132
ALA A 309
HIS A 317
TYR A 234
 None
None
None
SO4  A 701 (-4.3A)
None
 1.09A 1kiaC-4pdxA:
undetectable		 1kiaC-4pdxA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qiq D-XYLOSE-PROTON
SYMPORTER

(Escherichia
coli) 		PF00083
(Sugar_tr) 		5 TYR A 445
ILE A 293
ALA A 362
MET A 356
LEU A 307
 None
 0.96A 1kiaC-4qiqA:
undetectable		 1kiaC-4qiqA:
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.
4qlj BETA-GLUCOSIDASE 7

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 ILE A 373
ALA A 259
GLY A 269
LEU A 287
TYR A 377
 None
 1.14A 1kiaC-4qljA:
undetectable		 1kiaC-4qljA:
20.04
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
 1.13A 1kiaC-4w7hA:
6.4		 1kiaC-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.
4wgg DOUBLE BOND
REDUCTASE

(Zingiber
officinale) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 ILE A 127
GLY A 108
VAL A  89
GLY A 142
LEU A 290
 None
None
None
None
CIY  A 401 ( 4.0A)
 0.90A 1kiaC-4wggA:
7.5		 1kiaC-4wggA:
22.10
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.
4zwe DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		5 ILE A 413
ASP A 218
ALA A 389
GLY A 211
TYR A 419
 None
 1.14A 1kiaC-4zweA:
undetectable		 1kiaC-4zweA:
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.
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
 0.96A 1kiaC-5cd2A:
undetectable		 1kiaC-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
 1.05A 1kiaC-5cejA:
7.7		 1kiaC-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 1kiaC-5eztX:
undetectable		 1kiaC-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
 1.06A 1kiaC-5f8eA:
17.4		 1kiaC-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
 1.11A 1kiaC-5f8eA:
17.4		 1kiaC-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
 1.06A 1kiaC-5fg3A:
undetectable		 1kiaC-5fg3A:
19.32
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) 		5 GLY A  69
MET A  93
TRP A 115
GLY A 133
LEU A 139
 SAH  A 301 (-3.3A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.6A)
SAH  A 301 ( 3.3A)
None
 0.73A 1kiaC-5h02A:
21.2		 1kiaC-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.
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
 0.78A 1kiaC-5hsiA:
undetectable		 1kiaC-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
 1.09A 1kiaC-5j5dA:
undetectable		 1kiaC-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.
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 1kiaC-5m41A:
undetectable		 1kiaC-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.
5mtf RHOMBOID PROTEASE
GLPG

(Escherichia
coli) 		no annotation 5 ILE A 230
GLY A 209
ALA A 263
GLY A 215
LEU A 270
 BNG  A 304 (-4.6A)
BNG  A 304 ( 4.2A)
None
None
None
 1.14A 1kiaC-5mtfA:
undetectable		 1kiaC-5mtfA:
22.07
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.
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 1kiaC-5odsA:
undetectable		 1kiaC-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.
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
 1.10A 1kiaC-5ovkA:
6.1		 1kiaC-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)
 1.04A 1kiaC-5ovlA:
6.5		 1kiaC-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
 0.87A 1kiaC-5symA:
2.8		 1kiaC-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.
5sym ACYL-PROTEIN
THIOESTERASE 1

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		5 ILE A 222
GLY A 116
VAL A  24
GLY A 138
LEU A 192
 None
 0.98A 1kiaC-5symA:
2.8		 1kiaC-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.
5td3 CATECHOL
1,2-DIOXYGENASE

(Burkholderia
vietnamiensis) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 TYR A 211
GLY A 230
ASP A 224
ALA A 265
GLY A 217
 None
 1.02A 1kiaC-5td3A:
undetectable		 1kiaC-5td3A:
24.23
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.
5tpr 3-DEHYDROQUINATE
SYNTHASE

(Trichormus
variabilis) 		PF01761
(DHQ_synthase) 		5 ILE A  85
GLY A 126
ALA A 173
GLY A 117
LEU A  27
 None
None
None
NAD  A 503 ( 4.6A)
None
 1.10A 1kiaC-5tprA:
2.9		 1kiaC-5tprA:
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.
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)
 1.04A 1kiaC-5twbA:
2.9		 1kiaC-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
 1.07A 1kiaC-5u2aA:
undetectable		 1kiaC-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) 		5 TYR A 155
ILE A  18
GLY A 140
ALA A 160
GLY A 186
 IMD  A 304 ( 4.3A)
NAP  A 301 (-4.0A)
None
None
NAP  A 301 (-4.7A)
 1.08A 1kiaC-5u2wA:
7.3		 1kiaC-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
 1.06A 1kiaC-5ubkA:
undetectable		 1kiaC-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.
5uzh NAFOA.00085.B

(Naegleria
fowleri) 		PF16363
(GDP_Man_Dehyd) 		5 VAL A 199
ALA A 189
GLY A 213
LEU A 341
TYR A 160
 None
 1.06A 1kiaC-5uzhA:
6.8		 1kiaC-5uzhA:
21.31
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.
5v51 PR-1 PROTEIN

(Moniliophthora
perniciosa) 		PF00188
(CAP) 		5 TYR A 151
VAL A  70
TRP A  59
HIS A  45
LEU A  42
 None
 1.10A 1kiaC-5v51A:
undetectable		 1kiaC-5v51A:
19.45
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.
5x8t PROTEIN L3

(Spinacia
oleracea) 		PF00297
(Ribosomal_L3) 		5 GLY D 201
VAL D 282
GLY D  94
HIS D 167
LEU D 168
 None
None
None
None
C  A2651 ( 4.7A)
 0.92A 1kiaC-5x8tD:
undetectable		 1kiaC-5x8tD:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xep CHITINASE-3-LIKE
PROTEIN 1

(Mus musculus) 		no annotation 5 ILE A 376
GLY A 258
VAL A 352
ALA A 241
GLY A 349
 None
 1.14A 1kiaC-5xepA:
undetectable		 1kiaC-5xepA:
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii;
Komagataella
phaffii) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 GLY A  82
ASP A  55
ALA B1209
GLY A  59
LEU B1202
 None
None
None
ZN  A1801 ( 4.4A)
None
 1.03A 1kiaC-5xogA:
undetectable		 1kiaC-5xogA:
10.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yew MITOFUSIN-1,MITOFUSI
N-1 FUSION PROTEIN

(Homo sapiens) 		no annotation 5 ILE B 108
GLY B 181
ASP B 178
GLY B  87
LEU B 212
 K  B 803 (-4.2A)
BEF  B 802 (-3.3A)
MG  B 804 ( 3.8A)
GDP  B 801 (-3.6A)
None
 1.08A 1kiaC-5yewB:
undetectable		 1kiaC-5yewB:
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.
6fnu METHYLENETETRAHYDROF
OLATE REDUCTASE 1

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 269
GLY A 217
ALA A 151
GLY A 282
LEU A 212
 None
 0.99A 1kiaC-6fnuA:
undetectable		 1kiaC-6fnuA:
undetectable