SIMILAR PATTERNS OF AMINO ACIDS FOR 1KIA_D_SAMD3293_0

List of similar pattern of amino acids derived from ASSAM search

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

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

(Klebsiella
aerogenes) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 VAL C 520
ASP C 524
ALA C 287
SER C 355
LEU C 348
 None
 1.25A 1kiaD-1a5lC:
undetectable		 1kiaD-1a5lC:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 GLY A 201
ALA A 225
SER A 208
HIS A 212
LEU A 214
 None
 1.23A 1kiaD-1b41A:
0.0		 1kiaD-1b41A:
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.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		5 GLY A 201
ALA A 225
SER A 208
HIS A 212
LEU A 214
 None
 1.23A 1kiaD-1c2oA:
1.8		 1kiaD-1c2oA:
18.94
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.
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
 1.07A 1kiaD-1coyA:
2.2		 1kiaD-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.
1f2e GLUTATHIONE
S-TRANSFERASE

(Sphingomonas
paucimobilis) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 GLY A   8
ALA A  13
SER A  11
HIS A 106
LEU A 101
 None
None
None
GSH  A 210 (-4.4A)
None
 1.11A 1kiaD-1f2eA:
0.0		 1kiaD-1f2eA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h5y HISF

(Pyrobaculum
aerophilum) 		PF00977
(His_biosynth) 		5 GLY A 206
ASP A 186
ALA A 227
SER A 228
LEU A  53
 PO4  A 302 (-3.8A)
None
PO4  A 302 (-3.7A)
PO4  A 302 (-2.6A)
GOL  A 401 ( 4.9A)
 1.19A 1kiaD-1h5yA:
0.4		 1kiaD-1h5yA:
23.08
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.
1j6y PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Arabidopsis
thaliana) 		PF00639
(Rotamase) 		5 VAL A 113
ASP A 108
ALA A  10
SER A  11
SER A 104
 None
 0.98A 1kiaD-1j6yA:
undetectable		 1kiaD-1j6yA:
18.58
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.
1kgp RIBONUCLEOTIDE
REDUCTASE PROTEIN
R2F

(Corynebacterium
ammoniagenes) 		PF00268
(Ribonuc_red_sm) 		5 GLY A 210
ALA A 271
SER A 164
LEU A 171
TYR A 101
 None
 1.39A 1kiaD-1kgpA:
undetectable		 1kiaD-1kgpA:
22.56
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.
1kr5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01135
(PCMT) 		5 GLY A 107
VAL A 115
ALA A  81
HIS A 156
LEU A  68
 None
 1.40A 1kiaD-1kr5A:
9.4		 1kiaD-1kr5A:
23.96
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.
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)
 1.10A 1kiaD-1l9yA:
undetectable		 1kiaD-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.
1lcy HTRA2 SERINE
PROTEASE

(Homo sapiens) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A  51
VAL A  53
ALA A 173
SER A 129
LEU A 133
 None
 1.35A 1kiaD-1lcyA:
undetectable		 1kiaD-1lcyA:
23.38
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.
1mb9 BETA-LACTAM
SYNTHETASE

(Streptomyces
clavuligerus) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		5 TYR A 144
ASP A 136
ALA A 154
SER A 155
LEU A 172
 None
 1.29A 1kiaD-1mb9A:
3.4		 1kiaD-1mb9A:
20.85
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
SER A  87
MET A  90
TRP A 117
HIS A 142
LEU A 143
 None
 0.75A 1kiaD-1r8yA:
35.6		 1kiaD-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) 		9 GLY A  66
VAL A  69
ASP A  70
ALA A  86
SER A  87
MET A  90
TRP A 117
SER A 139
LEU A 143
 None
 0.63A 1kiaD-1r8yA:
35.6		 1kiaD-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.
1rpt PROSTATIC ACID
PHOSPHATASE

(Rattus
norvegicus) 		PF00328
(His_Phos_2) 		5 TYR A 298
ASP A 289
SER A 318
HIS A 317
LEU A 312
 None
 1.24A 1kiaD-1rptA:
undetectable		 1kiaD-1rptA:
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.
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)
 0.75A 1kiaD-1ve3A:
17.4		 1kiaD-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.
1xje RIBONUCLEOTIDE
REDUCTASE,
B12-DEPENDENT

(Thermotoga
maritima) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 ASP A  25
ALA A 498
SER A 495
TRP A  41
LEU A  82
 None
 1.41A 1kiaD-1xjeA:
undetectable		 1kiaD-1xjeA:
19.08
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.
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
 1.11A 1kiaD-1z3vA:
undetectable		 1kiaD-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.
2a8i THREONINE ASPARTASE
1

(Homo sapiens) 		PF01112
(Asparaginase_2) 		5 GLY A 272
VAL A 298
ALA A 248
HIS A  47
LEU A  45
 None
 1.38A 1kiaD-2a8iA:
undetectable		 1kiaD-2a8iA:
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.
2f1z UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7

(Homo sapiens) 		PF00443
(UCH)
PF00917
(MATH) 		5 GLY A 215
VAL A 484
ASP A 481
SER A 270
LEU A 279
 None
 1.40A 1kiaD-2f1zA:
undetectable		 1kiaD-2f1zA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fy2 CHOLINE
O-ACETYLTRANSFERASE

(Homo sapiens) 		PF00755
(Carn_acyltransf) 		5 GLY A 123
ALA A 118
SER A 119
MET A 343
LEU A 272
 None
 1.31A 1kiaD-2fy2A:
undetectable		 1kiaD-2fy2A:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 212
VAL A 216
ALA A 208
SER A 444
HIS A 348
 None
None
6NA  A1460 (-3.4A)
NH4  A1461 ( 4.4A)
None
 1.35A 1kiaD-2iwzA:
undetectable		 1kiaD-2iwzA:
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.
2o2g DIENELACTONE
HYDROLASE

(Trichormus
variabilis) 		PF01738
(DLH) 		5 GLY A 124
VAL A 129
SER A 121
HIS A  41
LEU A  68
 None
 1.33A 1kiaD-2o2gA:
2.4		 1kiaD-2o2gA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q1f CHONDROITINASE

(Bacteroides
thetaiotaomicron) 		PF02278
(Lyase_8)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		5 TYR A 630
GLY A 698
VAL A 693
ASP A 694
HIS A 454
 None
 1.30A 1kiaD-2q1fA:
undetectable		 1kiaD-2q1fA:
15.49
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 GLY A 330
VAL A  33
ASP A  31
ALA A 340
SER A 336
 None
 1.31A 1kiaD-2vz9A:
undetectable		 1kiaD-2vz9A:
8.05
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.
2wsb GALACTITOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 TYR A 159
GLY A 147
ALA A 161
SER A 162
TYR A 191
 POL  A1255 (-3.8A)
None
None
None
POL  A1256 (-4.0A)
 1.38A 1kiaD-2wsbA:
6.4		 1kiaD-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.
2y44 GLUTAMIC
ACID/ALANINE-RICH
PROTEIN

(Trypanosoma
congolense) 		PF16731
(GARP) 		5 VAL A 116
ASP A 119
ALA A  60
SER A  63
LEU A 174
 None
 1.30A 1kiaD-2y44A:
undetectable		 1kiaD-2y44A:
20.93
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.
3bxo N,N-DIMETHYLTRANSFER
ASE

(Streptomyces
venezuelae) 		PF13649
(Methyltransf_25) 		5 GLY A  48
SER A  69
MET A  72
SER A 108
LEU A 112
 SAM  A 238 ( 3.7A)
SAM  A 238 (-4.6A)
SAM  A 238 (-4.2A)
SAM  A 238 (-3.2A)
None
 0.81A 1kiaD-3bxoA:
19.0		 1kiaD-3bxoA:
26.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.06A 1kiaD-3cnjA:
2.6		 1kiaD-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.
3cr7 ADENYLYL-SULFATE
KINASE

(Penicillium
chrysogenum) 		PF01583
(APS_kinase) 		5 GLY A  37
VAL A 140
ALA A  42
SER A  39
TYR A 172
 ADP  A2001 (-3.0A)
None
None
ADP  A2001 (-2.3A)
None
 1.36A 1kiaD-3cr7A:
undetectable		 1kiaD-3cr7A:
20.62
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.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		5 GLY A  42
SER A  62
MET A  65
SER A 105
LEU A 109
 None
 0.93A 1kiaD-3d2lA:
22.7		 1kiaD-3d2lA:
26.39
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.
3du1 ALL3740 PROTEIN

(Nostoc sp. PCC
7120) 		PF00805
(Pentapeptide) 		5 GLY X 173
ASP X 151
ALA X 223
SER X 202
LEU X 215
 None
 1.27A 1kiaD-3du1X:
undetectable		 1kiaD-3du1X:
25.39
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.
3fdd L-ASPARTATE-BETA-DEC
ARBOXYLASE

(Comamonas
testosteroni) 		PF00155
(Aminotran_1_2) 		5 GLY A 325
VAL A 327
ALA A 319
SER A 314
TYR A 180
 None
None
None
PLP  A 534 (-2.5A)
None
 1.39A 1kiaD-3fddA:
undetectable		 1kiaD-3fddA:
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.
3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		5 GLY A 316
ASP A 320
ALA A 388
SER A 386
LEU A 361
 None
 1.39A 1kiaD-3gcwA:
undetectable		 1kiaD-3gcwA:
19.39
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.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A  38
VAL A  40
ASP A  44
ALA A 436
LEU A 447
 None
 1.17A 1kiaD-3glqA:
undetectable		 1kiaD-3glqA:
22.36
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.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A  59
ASP A 139
ALA A 133
LEU A 190
TYR A 117
 None
RAB  A 602 (-3.0A)
None
None
None
 1.40A 1kiaD-3glqA:
undetectable		 1kiaD-3glqA:
22.36
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.
3h0l GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Aquifex
aeolicus) 		PF01425
(Amidase) 		5 GLY A 170
VAL A 422
SER A 166
SER A 124
TYR A 303
 ASN  A 901 (-3.6A)
None
None
ASN  A 901 (-3.0A)
None
 1.21A 1kiaD-3h0lA:
undetectable		 1kiaD-3h0lA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hnr PROBABLE
METHYLTRANSFERASE
BT9727_4108

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		5 GLY A  55
SER A  76
MET A  79
HIS A 118
LEU A 119
 None
 0.94A 1kiaD-3hnrA:
15.4		 1kiaD-3hnrA:
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.
3hpf MUCONATE
CYCLOISOMERASE

(Oceanobacillus
iheyensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 VAL A  11
TRP A 374
SER A  44
HIS A  45
LEU A  46
TYR A 329
 None
None
None
MG  A 402 ( 3.4A)
None
None
 1.41A 1kiaD-3hpfA:
undetectable		 1kiaD-3hpfA:
20.59
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.
3kfu GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermus
thermophilus) 		PF01425
(Amidase) 		5 GLY E 164
VAL E 411
SER E 160
SER E 118
TYR E 295
 None
 1.19A 1kiaD-3kfuE:
undetectable		 1kiaD-3kfuE:
21.13
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.
3px2 N-METHYLTRANSFERASE

(Streptomyces
fradiae) 		PF13649
(Methyltransf_25) 		5 GLY A  60
SER A  81
MET A  84
SER A 120
LEU A 124
 SAH  A 263 (-3.3A)
SAH  A 263 (-4.7A)
SAH  A 263 (-4.5A)
SAH  A 263 (-3.3A)
None
 0.89A 1kiaD-3px2A:
19.8		 1kiaD-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.
3px2 N-METHYLTRANSFERASE

(Streptomyces
fradiae) 		PF13649
(Methyltransf_25) 		5 TYR A  14
GLY A  60
SER A  81
SER A 120
LEU A 124
 SAH  A 263 ( 3.9A)
SAH  A 263 (-3.3A)
SAH  A 263 (-4.7A)
SAH  A 263 (-3.3A)
None
 0.89A 1kiaD-3px2A:
19.8		 1kiaD-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.
3qit POLYKETIDE SYNTHASE

(Moorea
producens) 		PF00561
(Abhydrolase_1) 		5 ASP A  57
ALA A 103
SER A 100
HIS A 269
LEU A 276
 None
 1.23A 1kiaD-3qitA:
undetectable		 1kiaD-3qitA:
21.45
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.
3qt4 CATHEPSIN-L-LIKE
MIDGUT CYSTEINE
PROTEINASE

(Tenebrio
molitor) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		5 GLY A 161
ASP A 152
ALA A  79
SER A 124
TYR A 187
 None
None
PG4  A 413 (-3.6A)
None
PG4  A 414 (-4.6A)
 1.23A 1kiaD-3qt4A:
undetectable		 1kiaD-3qt4A:
18.53
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.
3t8q MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Hoeflea
phototrophica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 332
VAL A  14
ALA A 329
SER A 330
LEU A 344
 None
 1.30A 1kiaD-3t8qA:
2.1		 1kiaD-3t8qA:
23.08
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.
3wyh LYSOZYME G

(Struthio
camelus) 		PF01464
(SLT) 		5 TYR A 169
VAL A   8
ASP A  62
ALA A 146
SER A 145
 TAM  A 201 ( 4.5A)
None
None
None
None
 1.33A 1kiaD-3wyhA:
undetectable		 1kiaD-3wyhA:
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.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		5 GLY A 677
VAL A 725
ALA A 680
LEU A 386
TYR A 778
 None
 1.18A 1kiaD-4bqiA:
undetectable		 1kiaD-4bqiA:
15.86
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.
4bzk PROTEIN TRANSPORT
PROTEIN SEC31

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12931
(Sec16_C) 		5 ASP A 446
ALA A 638
SER A 640
SER A 631
LEU A 618
 None
 1.34A 1kiaD-4bzkA:
undetectable		 1kiaD-4bzkA:
12.38
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.
4c1n CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE,
IRON-SULFUR PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF03599
(CdhD) 		5 GLY B 129
VAL B  96
ASP B  55
SER B 156
LEU B  19
 None
 1.27A 1kiaD-4c1nB:
undetectable		 1kiaD-4c1nB:
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.
4evz HISF-LUCA

(synthetic
construct) 		PF00977
(His_biosynth) 		5 GLY A 203
ASP A 183
ALA A 225
SER A 226
LEU A  50
 PI  A 301 (-3.7A)
None
PI  A 301 (-3.5A)
PI  A 301 (-2.5A)
None
 1.33A 1kiaD-4evzA:
undetectable		 1kiaD-4evzA:
22.00
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.
4gf0 GLUTATHIONE
S-TRANSFERASE

(Sulfitobacter
sp. NAS-14.1) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		5 GLY A  10
ALA A  15
SER A  13
HIS A 106
LEU A 101
 None
None
None
GSH  A 302 (-4.3A)
None
 1.02A 1kiaD-4gf0A:
undetectable		 1kiaD-4gf0A:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 13

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		5 VAL M 238
ALA M 288
SER M 291
SER M 318
LEU M 325
 None
 1.36A 1kiaD-4heaM:
undetectable		 1kiaD-4heaM:
20.25
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.
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)
 0.69A 1kiaD-4ineA:
undetectable		 1kiaD-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.
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 1kiaD-4kriA:
16.6		 1kiaD-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.
4mdp BETA-GLUCOSIDASE

(Humicola grisea) 		PF00232
(Glyco_hydro_1) 		5 GLY A 423
ASP A   6
ALA A 426
SER A  72
LEU A  65
 None
 1.40A 1kiaD-4mdpA:
undetectable		 1kiaD-4mdpA:
19.72
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.
4mf9 HEMIN DEGRADING
FACTOR

(Pseudomonas
aeruginosa) 		PF05171
(HemS) 		5 GLY A  42
VAL A 144
ASP A 140
ALA A 174
SER A  47
 None
 1.09A 1kiaD-4mf9A:
undetectable		 1kiaD-4mf9A:
24.40
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.
4mou ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Paenarthrobacter
aurescens) 		PF00378
(ECH_1) 		5 GLY A 155
VAL A 160
SER A  97
SER A 127
LEU A  63
 None
 1.40A 1kiaD-4mouA:
undetectable		 1kiaD-4mouA:
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.
4n4r LPS-ASSEMBLY PROTEIN
LPTD
LPS-ASSEMBLY
LIPOPROTEIN LPTE

(Salmonella
enterica;
Salmonella
enterica) 		PF04453
(OstA_C)
PF04390
(LptE) 		5 GLY B  45
VAL A 320
ALA B  50
SER B  40
LEU B  75
 None
 1.23A 1kiaD-4n4rB:
undetectable		 1kiaD-4n4rB:
20.74
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.
4p48 ANTIBODY SCFV 180

(Gallus gallus) 		PF07686
(V-set) 		5 GLY A 233
ASP A 182
ALA A 228
SER A 238
LEU A 132
 None
 1.33A 1kiaD-4p48A:
undetectable		 1kiaD-4p48A:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT A
NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT E

(Vibrio
cholerae;
Vibrio cholerae) 		PF05896
(NQRA)
PF11973
(NQRA_SLBB)
PF02508
(Rnf-Nqr) 		5 GLY A 400
ASP E 168
ALA A 405
SER A 402
LEU A 418
 None
 0.90A 1kiaD-4p6vA:
undetectable		 1kiaD-4p6vA:
23.31
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.
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 1kiaD-4pdxA:
undetectable		 1kiaD-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.
4pyh PHOSPHOGLUCAN
PHOSPHATASE DSP4,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00782
(DSPc)
PF16561
(AMPK1_CBM) 		5 GLY A 302
VAL A 338
ALA A 240
SER A 353
LEU A 221
 None
 1.29A 1kiaD-4pyhA:
undetectable		 1kiaD-4pyhA:
24.08
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.
4pys BETA-N-ACETYLHEXOSAM
INIDASE

(Bacteroides
fragilis) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 GLY A 354
ASP A 303
ALA A 386
LEU A 441
TYR A 402
 FMT  A 607 (-3.0A)
GOL  A 603 (-3.0A)
None
None
GOL  A 603 ( 4.5A)
 1.40A 1kiaD-4pysA:
undetectable		 1kiaD-4pysA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qiq D-XYLOSE-PROTON
SYMPORTER

(Escherichia
coli) 		PF00083
(Sugar_tr) 		5 TYR A 445
VAL A 380
ALA A 362
MET A 356
LEU A 307
 None
 1.18A 1kiaD-4qiqA:
undetectable		 1kiaD-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.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		5 GLY A 198
ALA A 222
SER A 205
HIS A 209
LEU A 211
 None
 1.27A 1kiaD-4qwwA:
undetectable		 1kiaD-4qwwA:
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.
4rf3 NADPH DEPENDENT
R-SPECIFIC ALCOHOL
DEHYDROGENASE

(Lactobacillus
kefiri) 		PF13561
(adh_short_C2) 		5 TYR A 156
GLY A 146
ALA A 158
SER A 159
TYR A 190
 None
 1.29A 1kiaD-4rf3A:
6.7		 1kiaD-4rf3A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u28 PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sviceus) 		PF00977
(His_biosynth) 		5 GLY A 176
ASP A  15
ALA A 173
SER A 200
LEU A 185
 PO4  A 301 (-3.4A)
None
None
PO4  A 301 ( 4.4A)
None
 1.33A 1kiaD-4u28A:
undetectable		 1kiaD-4u28A:
23.68
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.
4u8u GLOBIN B CHAIN
GLOBIN C CHAIN

(Glossoscolex
paulistus;
Glossoscolex
paulistus) 		PF00042
(Globin)
PF00042
(Globin) 		5 TYR B  19
GLY B  22
ASP C  84
SER B  20
LEU C  73
 None
 1.40A 1kiaD-4u8uB:
undetectable		 1kiaD-4u8uB:
19.39
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.
4whb PHENYLUREA HYDROLASE
B

(Mycolicibacterium
brisbanense) 		no annotation 5 GLY E  64
VAL E  66
ASP E 112
ALA E 398
LEU E 415
 None
 1.34A 1kiaD-4whbE:
undetectable		 1kiaD-4whbE:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xii CHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 GLY A 196
ALA A 220
HIS A 207
LEU A 209
TYR A 146
 None
 1.21A 1kiaD-4xiiA:
undetectable		 1kiaD-4xiiA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xii CHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 GLY A 196
ALA A 220
SER A 203
HIS A 207
LEU A 209
 None
 1.23A 1kiaD-4xiiA:
undetectable		 1kiaD-4xiiA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zze SUGAR BINDING
PROTEIN OF ABC
TRANSPORTER SYSTEM

(Bifidobacterium
animalis) 		PF01547
(SBP_bac_1) 		5 GLY A 227
VAL A 230
ALA A 166
SER A 167
TYR A 396
 None
None
None
GLC  A 501 ( 4.6A)
None
 1.40A 1kiaD-4zzeA:
undetectable		 1kiaD-4zzeA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dbk TRANSCRIPTIONAL
REGULATOR/TPR DOMAIN
PROTEIN

(Bacillus
thuringiensis) 		PF13424
(TPR_12) 		5 TYR A 192
GLY A 190
VAL A  84
ALA A 196
LEU A 175
 None
 1.34A 1kiaD-5dbkA:
undetectable		 1kiaD-5dbkA:
21.55
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.
5fr8 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A 327
VAL A 329
TRP A 111
SER A 481
LEU A 567
 None
 1.39A 1kiaD-5fr8A:
undetectable		 1kiaD-5fr8A:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1kiaD-5fubA:
8.4		 1kiaD-5fubA:
23.31
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		5 TYR B 760
GLY B 901
MET B 810
HIS B 585
LEU B 586
 None
 1.37A 1kiaD-5gztB:
undetectable		 1kiaD-5gztB:
14.16
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		5 TYR A 760
GLY A 901
MET A 810
HIS A 585
LEU A 586
 None
 1.39A 1kiaD-5gzuA:
2.1		 1kiaD-5gzuA:
16.39
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
SER A 135
LEU A 139
 SAH  A 301 (-3.3A)
SAH  A 301 ( 4.9A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.6A)
SAH  A 301 (-3.1A)
None
 0.75A 1kiaD-5h02A:
26.6		 1kiaD-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.
5i0p BETA-LACTAMASE
DOMAIN PROTEIN

(Burkholderia
ambifaria) 		PF00753
(Lactamase_B) 		5 GLY A 204
ALA A 332
SER A 235
HIS A 287
LEU A 291
 None
 1.20A 1kiaD-5i0pA:
undetectable		 1kiaD-5i0pA:
22.40
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.
5iz3 PREDICTED PROTEIN

(Physcomitrella
patens) 		PF00316
(FBPase) 		5 VAL B 355
ASP B 360
ALA B 365
SER B 343
LEU B 379
 None
 1.36A 1kiaD-5iz3B:
undetectable		 1kiaD-5iz3B:
22.32
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.
5l26 NUCLEOSIDE PERMEASE

(Neisseria
wadsworthii) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		5 GLY A 401
VAL A 399
ALA A 209
SER A 183
LEU A 132
 None
None
None
NA  A 506 (-2.4A)
None
 1.29A 1kiaD-5l26A:
undetectable		 1kiaD-5l26A:
21.72
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.
5m49 AMINOTRANSFERASE
CLASS-III

(Rhizobium
freirei) 		PF00202
(Aminotran_3) 		5 VAL A  26
ALA A 378
SER A  46
LEU A 395
TYR A  56
 None
 1.40A 1kiaD-5m49A:
2.1		 1kiaD-5m49A:
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.
5mg5 2,4-DIACETYLPHLOROGL
UCINOL BIOSYNTHESIS
PROTEIN PHLC

(Pseudomonas
protegens) 		no annotation 5 TYR C 386
VAL C 297
ALA C 388
SER C 274
LEU C 257
 None
 1.39A 1kiaD-5mg5C:
undetectable		 1kiaD-5mg5C:
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.
5mm2 CAPSID PROTEIN VP4C

(Nora virus) 		no annotation 5 GLY A 161
VAL A 163
ALA A 153
HIS A 122
LEU A 121
 None
 1.29A 1kiaD-5mm2A:
undetectable		 1kiaD-5mm2A:
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.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		5 TYR A 503
GLY A 506
ASP A 521
ALA A 476
LEU A 445
 None
 1.38A 1kiaD-5mswA:
3.9		 1kiaD-5mswA:
12.97
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.
5opt 40S RIBOSOMAL
PROTEIN S26
40S RIBOSOMAL
PROTEIN S3A-2

(Trypanosoma
cruzi;
Trypanosoma
cruzi) 		no annotation
no annotation 		5 TYR T  62
GLY T  65
ALA T  56
SER T  59
TYR W  83
 None
 1.26A 1kiaD-5optT:
undetectable		 1kiaD-5optT:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uj7 ORIGIN RECOGNITION
COMPLEX SUBUNIT 4

(Homo sapiens) 		PF13191
(AAA_16)
PF14629
(ORC4_C) 		5 GLY C 191
ASP C 159
ALA C 188
SER C  62
LEU C  84
 None
MG  C 502 (-3.6A)
None
None
None
 1.38A 1kiaD-5uj7C:
undetectable		 1kiaD-5uj7C:
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.
5ur2 BIFUNCTIONAL PROTEIN
PUTA

(Bdellovibrio
bacteriovorus) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 GLY A 775
VAL A 820
ALA A 781
SER A 782
LEU A 798
 None
 1.37A 1kiaD-5ur2A:
4.9		 1kiaD-5ur2A:
16.76
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.
5ur2 BIFUNCTIONAL PROTEIN
PUTA

(Bdellovibrio
bacteriovorus) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 GLY A 876
VAL A 820
ALA A 781
SER A 782
LEU A 798
 None
 1.36A 1kiaD-5ur2A:
4.9		 1kiaD-5ur2A:
16.76
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.
5v12 HERCYNYLCYSTEINE
SULFOXIDE LYASE

(Neurospora
crassa) 		no annotation 5 GLY C 199
VAL C 194
ALA C 437
MET C 197
SER C 440
 None
None
None
FMT  C 501 ( 4.9A)
None
 1.32A 1kiaD-5v12C:
undetectable		 1kiaD-5v12C:
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.
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
 1.11A 1kiaD-5v51A:
undetectable		 1kiaD-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.
5vlh PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF05922
(Inhibitor_I9) 		5 GLY A 316
ASP A 320
ALA A 388
SER A 386
LEU A 361
 None
 1.36A 1kiaD-5vlhA:
undetectable		 1kiaD-5vlhA:
21.67
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.
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)
 0.91A 1kiaD-5wp4A:
15.9		 1kiaD-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.
5x6x MRNA CAPPING ENZYME
P5

(Rice dwarf
virus) 		no annotation 5 GLY C 789
ALA C 709
SER C 784
HIS C 783
LEU C 779
 None
 1.18A 1kiaD-5x6xC:
7.7		 1kiaD-5x6xC:
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		5 ASP C2937
ALA C3909
SER C3906
HIS C3986
LEU C3988
 None
 1.27A 1kiaD-5y3rC:
undetectable		 1kiaD-5y3rC:
5.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 GLY A 358
ALA A 382
SER A 365
HIS A 369
LEU A 371
 None
 1.31A 1kiaD-5ydjA:
undetectable		 1kiaD-5ydjA:
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 GLY A 358
ALA A 382
HIS A 369
LEU A 371
TYR A 309
 None
 1.27A 1kiaD-6arxA:
undetectable		 1kiaD-6arxA:
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 GLY A 358
ALA A 382
SER A 365
HIS A 369
LEU A 371
 None
 1.30A 1kiaD-6arxA:
undetectable		 1kiaD-6arxA:
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.
6blg DTDP-4-AMINO-4,6-DID
EOXYGALACTOSE
TRANSAMINASE

(Klebsiella
pneumoniae) 		no annotation 5 GLY A 130
VAL A 126
ASP A 152
ALA A 290
TYR A 321
 None
LLP  A 181 ( 4.9A)
LLP  A 181 ( 2.7A)
None
None
 1.32A 1kiaD-6blgA:
undetectable		 1kiaD-6blgA:
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.
6fwf NITRIC-OXIDE
REDUCTASE

(Neisseria
meningitidis) 		no annotation 5 GLY A 547
VAL A  29
ALA A 200
SER A 199
TRP A 215
 None
 1.33A 1kiaD-6fwfA:
undetectable		 1kiaD-6fwfA:
undetectable