SIMILAR PATTERNS OF AMINO ACIDS FOR 1KIA_B_SAMB1293_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
 0.90A 1kiaB-1bvyF:
undetectable		 1kiaB-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.
1gt9 KUMAMOLYSIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		5 TRP 1 208
GLY 1 192
VAL 1 207
ALA 1 281
GLY 1 166
 None
 1.14A 1kiaB-1gt91:
undetectable		 1kiaB-1gt91:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hjv CHITINASE-3 LIKE
PROTEIN 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 ILE A 376
GLY A 257
VAL A 351
ALA A 240
GLY A 348
 None
 1.20A 1kiaB-1hjvA:
undetectable		 1kiaB-1hjvA:
21.07
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.
1igw ISOCITRATE LYASE

(Escherichia
coli) 		PF00463
(ICL) 		5 VAL A 120
ALA A 182
MET A 175
GLY A  92
TYR A 112
 None
None
None
PYR  A1444 (-3.7A)
None
 1.15A 1kiaB-1igwA:
undetectable		 1kiaB-1igwA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1kiaB-1jqiA:
undetectable		 1kiaB-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.
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 1kiaB-1loxA:
undetectable		 1kiaB-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 1kiaB-1mg5A:
7.2		 1kiaB-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.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ILE B 489
GLY B 354
VAL B 392
ALA B  99
GLY B 569
 None
None
None
None
OMO  B4921 ( 3.5A)
 1.23A 1kiaB-1n60B:
undetectable		 1kiaB-1n60B:
18.09
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.
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 1kiaB-1nvtA:
6.6		 1kiaB-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
 1.06A 1kiaB-1ocmA:
undetectable		 1kiaB-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 1kiaB-1pojA:
undetectable		 1kiaB-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.
1qax PROTEIN
(3-HYDROXY-3-METHYLG
LUTARYL-COENZYME A
REDUCTASE)

(Pseudomonas
mevalonii) 		PF00368
(HMG-CoA_red) 		5 TYR A  92
ILE A 248
GLY A 367
ALA A  88
MET A  93
 HMG  A1002 (-4.0A)
None
HMG  A1002 (-4.5A)
HMG  A1002 (-3.6A)
None
 1.16A 1kiaB-1qaxA:
undetectable		 1kiaB-1qaxA:
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.
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 1kiaB-1r2jA:
undetectable		 1kiaB-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) 		7 GLY A  66
VAL A  69
ALA A  86
MET A  90
TRP A 117
GLY A 137
HIS A 142
 None
 0.70A 1kiaB-1r8yA:
35.6		 1kiaB-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) 		7 GLY A  66
VAL A  69
ASP A  70
ALA A  86
MET A  90
TRP A 117
GLY A 137
 None
 0.60A 1kiaB-1r8yA:
35.6		 1kiaB-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.
1sde D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptomyces
sp. R61) 		PF00144
(Beta-lactamase) 		5 ILE A 141
GLY A 168
VAL A 166
ALA A 180
HIS A 200
 None
 1.19A 1kiaB-1sdeA:
undetectable		 1kiaB-1sdeA:
21.53
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.
1sjp 60 KDA CHAPERONIN 2

(Mycobacterium
tuberculosis) 		PF00118
(Cpn60_TCP1) 		5 ILE A 217
GLY A 189
ALA A 370
MET A 190
GLY A 334
 None
 1.17A 1kiaB-1sjpA:
undetectable		 1kiaB-1sjpA:
20.73
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.
1t1e KUMAMOLISIN

(Bacillus sp.
MN-32) 		PF00082
(Peptidase_S8)
PF09286
(Pro-kuma_activ) 		5 TRP A 397
GLY A 381
VAL A 396
ALA A 470
GLY A 355
 None
 1.12A 1kiaB-1t1eA:
2.4		 1kiaB-1t1eA:
22.20
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.
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 1kiaB-1uznA:
6.3		 1kiaB-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.
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 1kiaB-1vjnA:
undetectable		 1kiaB-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
 1.13A 1kiaB-1wlsA:
undetectable		 1kiaB-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
 0.94A 1kiaB-1xfgA:
undetectable		 1kiaB-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.
1yq9 PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT

(Desulfovibrio
gigas) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 ILE A  72
GLY A 116
VAL A 131
ALA A 121
GLY A 110
 None
H2S  A1268 ( 4.4A)
None
None
SF4  A 267 ( 3.7A)
 1.17A 1kiaB-1yq9A:
undetectable		 1kiaB-1yq9A:
22.39
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 ILE A 456
GLY A 385
VAL A 562
GLY A 391
HIS A 377
 None
None
None
None
ZN  A1751 (-3.3A)
 1.15A 1kiaB-1z8lA:
undetectable		 1kiaB-1z8lA:
17.69
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.
2ayz SENSOR KINASE
PROTEIN RCSC

(Escherichia
coli) 		PF00072
(Response_reg) 		5 ILE A 890
GLY A 901
VAL A 872
ALA A 904
GLY A 857
 None
 1.23A 1kiaB-2ayzA:
3.0		 1kiaB-2ayzA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1kiaB-2b5uA:
undetectable		 1kiaB-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.
2gh4 PUTATIVE GLYCOSYL
HYDROLASE YTER

(Bacillus
subtilis) 		PF07470
(Glyco_hydro_88) 		5 TYR A  41
ALA A  92
MET A 147
GLY A 353
HIS A  42
 GAD  A1002 ( 4.1A)
None
GAD  A1002 ( 4.3A)
None
RAM  A1001 (-3.9A)
 1.17A 1kiaB-2gh4A:
undetectable		 1kiaB-2gh4A:
22.79
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.
2igs HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF11508
(DUF3218) 		5 TYR A  63
ILE A  42
VAL A 205
ALA A  68
GLY A  11
 None
 1.18A 1kiaB-2igsA:
undetectable		 1kiaB-2igsA:
24.35
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.
2ovl PUTATIVE RACEMASE

(Streptomyces
coelicolor) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 109
VAL A 273
ASP A 272
HIS A 326
TYR A  49
 None
 1.17A 1kiaB-2ovlA:
2.1		 1kiaB-2ovlA:
24.22
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.
2v4j SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA
SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA

(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 TRP B 148
GLY B 147
VAL B 149
GLY B 160
TYR A  58
 None
 1.21A 1kiaB-2v4jB:
undetectable		 1kiaB-2v4jB:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.11A 1kiaB-2z06A:
undetectable		 1kiaB-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.
3aeq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Rhodobacter
capsulatus) 		PF00148
(Oxidored_nitro) 		5 TYR B   8
ILE B 345
GLY B 355
ALA B 375
GLY B 311
 None
 1.19A 1kiaB-3aeqB:
3.2		 1kiaB-3aeqB:
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 ILE A 300
GLY A 175
VAL A 171
ALA A 178
GLY A 277
 None
 1.22A 1kiaB-3ak5A:
undetectable		 1kiaB-3ak5A:
14.76
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.
3dms ISOCITRATE
DEHYDROGENASE [NADP]

(Burkholderia
pseudomallei) 		PF00180
(Iso_dh) 		5 ILE A  43
GLY A 323
VAL A 353
ALA A 317
GLY A 342
 None
 1.17A 1kiaB-3dmsA:
undetectable		 1kiaB-3dmsA:
21.91
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.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II

(Bartonella
henselae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 173
VAL A 166
ALA A 355
GLY A 114
HIS A 347
 None
 1.17A 1kiaB-3e60A:
undetectable		 1kiaB-3e60A:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hoi FMN-DEPENDENT
NITROREDUCTASE
BF3017

(Bacteroides
fragilis) 		PF00881
(Nitroreductase) 		5 ILE A  91
VAL A 163
ALA A 173
GLY A  69
TYR A 102
 None
 1.21A 1kiaB-3hoiA:
undetectable		 1kiaB-3hoiA:
25.61
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.
3kzu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE II

(Brucella
melitensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 173
VAL A 166
ALA A 355
GLY A 114
HIS A 347
 None
 1.21A 1kiaB-3kzuA:
undetectable		 1kiaB-3kzuA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1kiaB-3lylA:
8.1		 1kiaB-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
 1.05A 1kiaB-3m8uA:
undetectable		 1kiaB-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 1kiaB-3nzuA:
undetectable		 1kiaB-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
 1.14A 1kiaB-3ocrA:
undetectable		 1kiaB-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.
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 1kiaB-3qyqA:
undetectable		 1kiaB-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
 1.10A 1kiaB-3rdeA:
undetectable		 1kiaB-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
 1.10A 1kiaB-3s4lA:
undetectable		 1kiaB-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.
3tji MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Enterobacter
sp. 638) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 315
GLY A 364
VAL A 367
ALA A 105
GLY A  34
 None
 1.21A 1kiaB-3tjiA:
undetectable		 1kiaB-3tjiA:
23.62
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.
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 1kiaB-3v2gA:
7.5		 1kiaB-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.
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 1kiaB-3vueA:
2.7		 1kiaB-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
 0.91A 1kiaB-3vupA:
undetectable		 1kiaB-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 1kiaB-3wtbA:
6.6		 1kiaB-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.
4aoa BETA-PHENYLALANINE
AMINOTRANSFERASE

(Variovorax
paradoxus) 		PF00202
(Aminotran_3) 		5 ILE A 116
GLY A 279
ALA A 142
GLY A 276
HIS A 297
 None
 1.23A 1kiaB-4aoaA:
2.6		 1kiaB-4aoaA:
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.
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 1kiaB-4as3A:
5.1		 1kiaB-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 1kiaB-4bhdA:
3.6		 1kiaB-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.
4dvj PUTATIVE
ZINC-DEPENDENT
ALCOHOL
DEHYDROGENASE
PROTEIN

(Rhizobium etli) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 ILE A  55
GLY A  91
VAL A  93
ALA A 142
GLY A 133
 None
 1.22A 1kiaB-4dvjA:
8.8		 1kiaB-4dvjA:
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.
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 1kiaB-4fgsA:
8.4		 1kiaB-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.
4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Caulobacter sp.
K31) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 321
GLY A 370
VAL A 373
ALA A 102
GLY A  31
 None
 1.18A 1kiaB-4fi4A:
undetectable		 1kiaB-4fi4A:
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.
4fio METHENYLTETRAHYDROME
THANOPTERIN
CYCLOHYDROLASE

(Methanobrevibacter
ruminantium) 		PF02289
(MCH) 		5 ILE A 283
VAL A 272
ASP A 275
MET A 225
GLY A 277
 None
 1.15A 1kiaB-4fioA:
undetectable		 1kiaB-4fioA:
23.70
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.
4gg2 GAMMA-GLUTAMYLTRANSP
EPTIDASE 1 HEAVY
CHAIN

(Homo sapiens) 		PF01019
(G_glu_transpept) 		5 TYR A 229
ILE A 241
VAL A 132
ALA A 258
GLY A  86
 None
None
None
IOD  A 408 (-4.0A)
None
 1.20A 1kiaB-4gg2A:
undetectable		 1kiaB-4gg2A:
24.37
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.
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 1kiaB-4gxwA:
undetectable		 1kiaB-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.
4gza NEUROPILIN-1

(Mus musculus) 		PF00431
(CUB) 		5 GLY H 105
ASP H  85
ALA H 108
GLY H 131
HIS H  74
 None
CA  H 601 (-2.5A)
None
None
None
 1.22A 1kiaB-4gzaH:
undetectable		 1kiaB-4gzaH:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1kiaB-4imrA:
7.2		 1kiaB-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.
4iw7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Francisella
tularensis) 		PF00155
(Aminotran_1_2) 		5 ILE A 103
VAL A 215
ASP A 185
ALA A 175
TYR A 104
 None
 1.22A 1kiaB-4iw7A:
3.0		 1kiaB-4iw7A:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1kiaB-4k3gA:
undetectable		 1kiaB-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
 1.00A 1kiaB-4lvuA:
8.4		 1kiaB-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.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		5 ILE A 507
GLY A  57
VAL A 525
ALA A 156
GLY A 469
 None
 1.16A 1kiaB-4maeA:
undetectable		 1kiaB-4maeA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n42 XYLANASE AND
ALPHA-AMYLASE
INHIBITOR PROTEIN
ISOFORM III

(Scadoxus
multiflorus) 		PF00704
(Glyco_hydro_18) 		5 TRP A 177
ILE A 176
GLY A 215
ALA A 218
GLY A 249
 None
 1.23A 1kiaB-4n42A:
undetectable		 1kiaB-4n42A:
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.
4nsx U3 SMALL NUCLEOLAR
RNA-ASSOCIATED
PROTEIN 21

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 ILE A 484
VAL A 505
ALA A 559
GLY A 527
TYR A 529
 None
 1.21A 1kiaB-4nsxA:
undetectable		 1kiaB-4nsxA:
16.69
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.
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
 1.05A 1kiaB-4o9hL:
undetectable		 1kiaB-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.
4p74 PHENYLALANINE--TRNA
LIGASE ALPHA SUBUNIT

(Pseudomonas
aeruginosa) 		PF01409
(tRNA-synt_2d) 		5 ILE C  37
GLY C 228
VAL C 130
ALA C 176
MET C 202
 None
2U9  C 301 (-3.6A)
None
None
None
 1.20A 1kiaB-4p74C:
undetectable		 1kiaB-4p74C:
19.83
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.
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
 1.08A 1kiaB-4pdxA:
undetectable		 1kiaB-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.
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 1kiaB-4w7hA:
7.4		 1kiaB-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.
4wr4 GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME

(Schistosoma
japonicum) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 TYR A 110
GLY A 210
VAL A 160
TRP A 205
GLY A  11
 None
None
BYR  A 163 ( 4.8A)
None
None
 1.22A 1kiaB-4wr4A:
undetectable		 1kiaB-4wr4A:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1kiaB-4zweA:
undetectable		 1kiaB-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.
5b3g PROTEIN SHORT-ROOT

(Arabidopsis
thaliana) 		PF03514
(GRAS) 		5 ILE B 513
GLY B 238
TRP B 269
GLY B 244
TYR B 482
 None
 1.19A 1kiaB-5b3gB:
11.5		 1kiaB-5b3gB:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c2v HYDRAZINE SYNTHASE
ALPHA SUBUNIT

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 TRP A 787
GLY A 791
ALA A 739
GLY A 524
TYR A 716
 None
 1.20A 1kiaB-5c2vA:
undetectable		 1kiaB-5c2vA:
17.66
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.
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
 0.97A 1kiaB-5cd2A:
undetectable		 1kiaB-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 1kiaB-5cejA:
5.8		 1kiaB-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.
5dgt BENZOYLFORMATE
DECARBOXYLASE

(Pseudomonas
putida) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 TYR A 458
ILE A 435
GLY A 427
ALA A 460
GLY A 404
 TZD  A 605 (-3.0A)
None
TZD  A 605 (-3.2A)
TZD  A 605 (-3.3A)
None
 1.20A 1kiaB-5dgtA:
2.9		 1kiaB-5dgtA:
20.73
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.
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
 1.00A 1kiaB-5eztX:
undetectable		 1kiaB-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
 1.08A 1kiaB-5f8eA:
16.7		 1kiaB-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 1kiaB-5f8eA:
16.7		 1kiaB-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 1kiaB-5fg3A:
undetectable		 1kiaB-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.
5hc4 LIPOLYTIC ENZYME

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 ILE A 321
GLY A 191
ALA A 196
GLY A 108
TYR A 120
 None
None
None
TRS  A 402 (-3.3A)
None
 1.14A 1kiaB-5hc4A:
2.8		 1kiaB-5hc4A:
23.02
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.
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 1kiaB-5hsiA:
undetectable		 1kiaB-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
 1.08A 1kiaB-5j5dA:
2.0		 1kiaB-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.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00227
(Proteasome) 		5 TRP K 104
GLY K 103
ALA K   5
GLY K 183
HIS K 178
 None
 1.11A 1kiaB-5l5wK:
undetectable		 1kiaB-5l5wK:
22.52
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.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00227
(Proteasome) 		5 TRP K 104
GLY K 103
ALA K   5
GLY K 183
HIS K 178
 None
 1.14A 1kiaB-5m2bK:
undetectable		 1kiaB-5m2bK:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1kiaB-5m41A:
undetectable		 1kiaB-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.
5mju EXCITATORY AMINO
ACID TRANSPORTER
1,NEUTRAL AMINO ACID
TRANSPORTER
B(0),EXCITATORY
AMINO ACID
TRANSPORTER 1

(Homo sapiens) 		PF00375
(SDF) 		5 TYR A 127
ILE A 316
GLY A 466
ALA A 375
GLY A 472
 6Z6  A 601 (-4.3A)
None
None
7O9  A 602 (-3.6A)
None
 1.20A 1kiaB-5mjuA:
undetectable		 1kiaB-5mjuA:
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.
5na4 NADH
DEHYDROGENASE-LIKE
PROTEIN
SAOUHSC_00878

(Staphylococcus
aureus) 		no annotation 5 ILE A 283
GLY A 301
VAL A 299
ALA A 319
GLY A 267
 None
FAD  A1001 (-3.3A)
None
FAD  A1001 (-3.7A)
None
 1.15A 1kiaB-5na4A:
3.5		 1kiaB-5na4A:
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
 0.90A 1kiaB-5odsA:
undetectable		 1kiaB-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 1kiaB-5ovkA:
5.9		 1kiaB-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 1kiaB-5ovlA:
6.7		 1kiaB-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 1kiaB-5symA:
2.7		 1kiaB-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
 1.03A 1kiaB-5td3A:
undetectable		 1kiaB-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.
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)
 1.03A 1kiaB-5twbA:
3.2		 1kiaB-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 1kiaB-5u2aA:
undetectable		 1kiaB-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 1kiaB-5u2wA:
5.8		 1kiaB-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 1kiaB-5ubkA:
undetectable		 1kiaB-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.
5vl1 LYSINE--TRNA LIGASE

(Mycobacterium
ulcerans) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 TYR A 116
ILE A  43
GLY A 119
VAL A 121
ASP A  58
 None
 1.13A 1kiaB-5vl1A:
undetectable		 1kiaB-5vl1A:
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.
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
 1.13A 1kiaB-5xepA:
undetectable		 1kiaB-5xepA:
undetectable