SIMILAR PATTERNS OF AMINO ACIDS FOR 4KAH_A_ADNA401_2

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.
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		3 SER A 222
TYR A 218
PRO A 187
 None
None
EST  A 350 (-4.1A)
 0.88A 4kahA-1a27A:
6.8		 4kahA-1a27A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1am5 PEPSIN

(Gadus morhua) 		PF00026
(Asp) 		3 SER A  35
TYR A  75
PRO A 135
 None
 0.85A 4kahA-1am5A:
undetectable		 4kahA-1am5A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus) 		PF00026
(Asp) 		3 SER A  35
TYR A  75
PRO A 135
 None
 0.88A 4kahA-1b5fA:
undetectable		 4kahA-1b5fA:
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.
1b74 GLUTAMATE RACEMASE

(Aquifex
pyrophilus) 		PF01177
(Asp_Glu_race) 		3 SER A 205
TYR A  23
PRO A  95
 None
 0.63A 4kahA-1b74A:
4.2		 4kahA-1b74A:
23.24
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		3 SER E  35
TYR E  75
PRO E 135
 None
 0.72A 4kahA-1cziE:
undetectable		 4kahA-1cziE:
23.04
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.
1dgp ARISTOLOCHENE
SYNTHASE

(Penicillium
roqueforti) 		no annotation 3 SER A 210
TYR A 319
PRO A 174
 None
 0.92A 4kahA-1dgpA:
undetectable		 4kahA-1dgpA:
20.16
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.
1fdw 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		3 SER A 222
TYR A 218
PRO A 187
 EST  A 350 (-4.4A)
None
EST  A 350 (-4.3A)
 0.86A 4kahA-1fdwA:
6.8		 4kahA-1fdwA:
24.29
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.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		3 SER A  80
TYR A 105
PRO A  86
 None
 0.73A 4kahA-1gz5A:
5.3		 4kahA-1gz5A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		3 SER A 266
TYR A 265
PRO A 156
 None
 0.95A 4kahA-1gz5A:
5.3		 4kahA-1gz5A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nt4 GLUCOSE-1-PHOSPHATAS
E

(Escherichia
coli) 		PF00328
(His_Phos_2) 		3 SER A 208
TYR A 247
PRO A  23
 None
 0.86A 4kahA-1nt4A:
undetectable		 4kahA-1nt4A:
21.59
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.
1q0p COMPLEMENT FACTOR B

(Homo sapiens) 		PF00092
(VWA) 		3 SER A 342
TYR A 338
PRO A 349
 None
 0.80A 4kahA-1q0pA:
undetectable		 4kahA-1q0pA:
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.
1q0z ACLACINOMYCIN
METHYLESTERASE

(Streptomyces
purpurascens) 		PF00561
(Abhydrolase_1) 		3 SER A 187
TYR A 198
PRO A 249
 None
1PE  A2712 (-4.2A)
None
 0.87A 4kahA-1q0zA:
4.2		 4kahA-1q0zA:
23.45
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.
1qrp PEPSIN 3A

(Homo sapiens) 		PF00026
(Asp) 		3 SER E  35
TYR E  75
PRO E 135
 HH0  E 327 (-4.1A)
HH0  E 327 (-4.5A)
None
 0.79A 4kahA-1qrpE:
undetectable		 4kahA-1qrpE:
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.
1rpw TRANSCRIPTIONAL
REGULATOR QACR

(Staphylococcus
aureus) 		PF00440
(TetR_N)
PF08360
(TetR_C_5) 		3 SER A  86
TYR A  82
PRO A  94
 None
 0.69A 4kahA-1rpwA:
undetectable		 4kahA-1rpwA:
19.02
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.
1smr RENIN

(Mus musculus) 		PF00026
(Asp) 		3 SER A  35
TYR A  75
PRO A 135
 None
 0.84A 4kahA-1smrA:
undetectable		 4kahA-1smrA:
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.
1tzs CATHEPSIN E

(Homo sapiens) 		PF00026
(Asp) 		3 SER A  46
TYR A  86
PRO A 146
 None
 0.68A 4kahA-1tzsA:
undetectable		 4kahA-1tzsA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vq0 33 KDA CHAPERONIN

(Thermotoga
maritima) 		PF01430
(HSP33) 		3 SER A 127
TYR A 143
PRO A 124
 None
 0.88A 4kahA-1vq0A:
undetectable		 4kahA-1vq0A:
23.59
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.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		3 SER 1 277
TYR 1 489
PRO 1 482
 None
 0.93A 4kahA-1wao1:
undetectable		 4kahA-1wao1:
22.86
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.
1wz2 LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		3 SER A  46
TYR A 109
PRO A  43
 None
 0.84A 4kahA-1wz2A:
2.1		 4kahA-1wz2A:
15.66
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.
1ydm HYPOTHETICAL PROTEIN
YQGN

(Bacillus
subtilis) 		PF01812
(5-FTHF_cyc-lig) 		3 SER A  49
TYR A  97
PRO A 122
 None
 0.65A 4kahA-1ydmA:
3.1		 4kahA-1ydmA:
18.61
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.
2aey FRUCTAN
1-EXOHYDROLASE IIA

(Cichorium
intybus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		3 SER A 276
TYR A 268
PRO A  26
 None
 0.88A 4kahA-2aeyA:
undetectable		 4kahA-2aeyA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b71 CYCLOPHILIN-LIKE
PROTEIN

(Plasmodium
yoelii) 		PF00160
(Pro_isomerase) 		3 SER A 136
TYR A 108
PRO A  94
 None
 0.94A 4kahA-2b71A:
undetectable		 4kahA-2b71A:
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.
2c0l NONSPECIFIC
LIPID-TRANSFER
PROTEIN
PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR

(Homo sapiens) 		PF00515
(TPR_1)
PF02036
(SCP2)
PF13432
(TPR_16) 		3 SER A 565
TYR A 545
PRO B 138
 None
 0.96A 4kahA-2c0lA:
undetectable		 4kahA-2c0lA:
22.66
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.
2d4e 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
SEMIALDEHYDE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		3 SER A 481
TYR A 435
PRO A 270
 None
 0.93A 4kahA-2d4eA:
3.5		 4kahA-2d4eA:
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.
2g1s RENIN

(Homo sapiens) 		PF00026
(Asp) 		3 SER A  36
TYR A  78
PRO A 137
 4IG  A 885 ( 4.8A)
4IG  A 885 (-4.0A)
None
 0.85A 4kahA-2g1sA:
undetectable		 4kahA-2g1sA:
20.89
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.
2gb3 ASPARTATE
AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00155
(Aminotran_1_2) 		3 SER A 215
TYR A  80
PRO A 171
 None
 0.91A 4kahA-2gb3A:
3.0		 4kahA-2gb3A:
24.20
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.
2jgp TYROCIDINE
SYNTHETASE 3

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		3 SER A 102
TYR A 255
PRO A 410
 None
 0.96A 4kahA-2jgpA:
undetectable		 4kahA-2jgpA:
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.
2lsn RNASE H

(Simian foamy
virus) 		PF00075
(RNase_H) 		3 SER A  90
TYR A  86
PRO A  96
 None
 0.85A 4kahA-2lsnA:
undetectable		 4kahA-2lsnA:
18.37
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.
2qt6 LACCASE

(Lentinus
tigrinus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 SER A 202
TYR A 209
PRO A 123
 None
 0.96A 4kahA-2qt6A:
undetectable		 4kahA-2qt6A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x5d PROBABLE
AMINOTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00155
(Aminotran_1_2) 		3 SER A 225
TYR A  87
PRO A 180
 None
 0.85A 4kahA-2x5dA:
2.9		 4kahA-2x5dA:
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.
2xwb COMPLEMENT FACTOR B

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin)
PF00092
(VWA) 		3 SER F 342
TYR F 338
PRO F 349
 None
 0.90A 4kahA-2xwbF:
undetectable		 4kahA-2xwbF:
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.
3ajb PEROXISOMAL
BIOGENESIS FACTOR 3

(Homo sapiens) 		PF04882
(Peroxin-3) 		3 SER A 167
TYR A 164
PRO A 240
 None
 0.97A 4kahA-3ajbA:
undetectable		 4kahA-3ajbA:
18.90
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.
3asa LL-DIAMINOPIMELATE
AMINOTRANSFERASE

(Chlamydia
trachomatis) 		PF00155
(Aminotran_1_2) 		3 SER A 217
TYR A  89
PRO A 172
 None
 0.76A 4kahA-3asaA:
undetectable		 4kahA-3asaA:
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		3 SER A 480
TYR A 509
PRO A 415
 None
 0.92A 4kahA-3bgaA:
undetectable		 4kahA-3bgaA:
17.37
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.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		3 SER A 456
TYR A 485
PRO A 391
 None
 0.91A 4kahA-3decA:
undetectable		 4kahA-3decA:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eh2 PROTEIN TRANSPORT
PROTEIN SEC24C

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		3 SER A 488
TYR A 486
PRO A 208
 None
 0.76A 4kahA-3eh2A:
3.4		 4kahA-3eh2A:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fcr PUTATIVE
AMINOTRANSFERASE

(Ruegeria sp.
TM1040) 		PF00202
(Aminotran_3) 		3 SER A  86
TYR A  87
PRO A 330
 None
 0.83A 4kahA-3fcrA:
undetectable		 4kahA-3fcrA:
22.90
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.
3gm8 GLYCOSIDE HYDROLASE
FAMILY 2, CANDIDATE
BETA-GLYCOSIDASE

(Bacteroides
vulgatus) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		3 SER A 130
TYR A 182
PRO A 346
 None
 0.95A 4kahA-3gm8A:
3.3		 4kahA-3gm8A:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iiu PERIDININ-CHLOROPHYL
L A-BINDING PROTEIN
1, CHLOROPLASTIC

(Amphidinium
carterae) 		PF02429
(PCP) 		3 SER M 112
TYR M 108
PRO M  32
 J7Z  M 615 (-3.6A)
PID  M 613 ( 3.4A)
J7Z  M 615 ( 4.5A)
 0.89A 4kahA-3iiuM:
undetectable		 4kahA-3iiuM:
18.05
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.
3lso PUTATIVE MEMBRANE
ANCHORED PROTEIN

(Corynebacterium
diphtheriae) 		PF16640
(Big_3_5) 		3 SER B 381
TYR B 379
PRO B 393
 None
 0.96A 4kahA-3lsoB:
undetectable		 4kahA-3lsoB:
22.02
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.
3mru AMINOACYL-HISTIDINE
DIPEPTIDASE

(Vibrio
alginolyticus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		3 SER A 174
TYR A 181
PRO A 460
 None
 0.89A 4kahA-3mruA:
undetectable		 4kahA-3mruA:
24.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ntl ACID
GLUCOSE-1-PHOSPHATE
PHOSPHATASE

(Enterobacter
cloacae) 		PF00328
(His_Phos_2) 		3 SER A 206
TYR A 245
PRO A  21
 None
IHP  A 550 (-4.8A)
None
 0.95A 4kahA-3ntlA:
undetectable		 4kahA-3ntlA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ohn OUTER MEMBRANE USHER
PROTEIN FIMD

(Escherichia
coli) 		PF00577
(Usher) 		3 SER A 296
TYR A 222
PRO A 254
 None
 0.88A 4kahA-3ohnA:
undetectable		 4kahA-3ohnA:
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.
3psg PEPSINOGEN

(Sus scrofa) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		3 SER A  35
TYR A  75
PRO A 135
 None
 0.66A 4kahA-3psgA:
undetectable		 4kahA-3psgA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qtg PYRUVATE KINASE

(Pyrobaculum
aerophilum) 		PF00224
(PK)
PF02887
(PK_C) 		3 SER A 411
TYR A 199
PRO A 420
 None
 0.86A 4kahA-3qtgA:
3.8		 4kahA-3qtgA:
24.16
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.
3qxf ENDOGLUCANASE

(Escherichia
coli) 		PF01270
(Glyco_hydro_8) 		3 SER A 115
TYR A 182
PRO A  94
 None
 0.74A 4kahA-3qxfA:
undetectable		 4kahA-3qxfA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s6p CAPSID PROTEIN

(Helicoverpa
armigera stunt
virus) 		PF03566
(Peptidase_A21) 		3 SER A 405
TYR A 215
PRO A 403
 None
 0.93A 4kahA-3s6pA:
undetectable		 4kahA-3s6pA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sgg HYPOTHETICAL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF14323
(GxGYxYP_C)
PF16216
(GxGYxYP_N) 		3 SER A 285
TYR A 408
PRO A 288
 None
 0.89A 4kahA-3sggA:
undetectable		 4kahA-3sggA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ti7 BASIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE BPRV

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		3 SER A   7
TYR A 270
PRO A   3
 None
 0.96A 4kahA-3ti7A:
4.5		 4kahA-3ti7A:
24.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		3 SER A  60
TYR A 158
PRO A 314
 ADN  A 353 (-4.6A)
ADN  A 353 (-3.6A)
ADN  A 353 (-4.2A)
 0.14A 4kahA-3uboA:
56.9		 4kahA-3uboA:
71.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ujq LEGUME LECTIN

(Lablab
purpureus) 		PF00139
(Lectin_legB) 		3 SER A 138
TYR A 136
PRO A 224
 None
 0.79A 4kahA-3ujqA:
undetectable		 4kahA-3ujqA:
22.28
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.
4ako SPORE COAT PROTEIN A

(Bacillus
subtilis) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 SER A 459
TYR A 300
PRO A 456
 EDO  A1517 ( 3.8A)
None
None
 0.64A 4kahA-4akoA:
undetectable		 4kahA-4akoA:
19.49
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.
4c4v OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		3 SER A 591
TYR A 578
PRO A 587
 None
 0.90A 4kahA-4c4vA:
undetectable		 4kahA-4c4vA:
23.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ccd GALACTOCEREBROSIDASE

(Mus musculus) 		PF02057
(Glyco_hydro_59)
PF17387
(Glyco_hydro_59M) 		3 SER A 316
TYR A  58
PRO A 471
 None
 0.88A 4kahA-4ccdA:
2.8		 4kahA-4ccdA:
19.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		3 SER A  58
TYR A 156
PRO A 312
 ADN  A 500 (-3.3A)
ADN  A 500 (-3.8A)
ADN  A 500 (-4.3A)
 0.56A 4kahA-4e3aA:
62.2		 4kahA-4e3aA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f5x RNA-DIRECTED RNA
POLYMERASE

(Rotavirus A) 		PF02123
(RdRP_4)
PF12289
(Rotavirus_VP1) 		3 SER W 671
TYR W 518
PRO W 281
 None
 0.83A 4kahA-4f5xW:
undetectable		 4kahA-4f5xW:
16.74
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.
4fl0 AMINOTRANSFERASE
ALD1

(Arabidopsis
thaliana) 		PF00155
(Aminotran_1_2) 		3 SER A 265
TYR A 126
PRO A 221
 None
 0.82A 4kahA-4fl0A:
undetectable		 4kahA-4fl0A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ikv DI-TRIPEPTIDE ABC
TRANSPORTER
(PERMEASE)

(Geobacillus
kaustophilus) 		PF00854
(PTR2) 		3 SER A 405
TYR A 406
PRO A 388
 None
 0.96A 4kahA-4ikvA:
undetectable		 4kahA-4ikvA:
21.95
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.
4inf METAL-DEPENDENT
HYDROLASE

(Novosphingobium
aromaticivorans) 		PF04909
(Amidohydro_2) 		3 SER A 159
TYR A 165
PRO A  92
 None
 0.97A 4kahA-4infA:
2.7		 4kahA-4infA:
28.47
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.
4k3c OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

([Haemophilus]
ducreyi) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		3 SER A 590
TYR A 577
PRO A 586
 None
 0.91A 4kahA-4k3cA:
undetectable		 4kahA-4k3cA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n75 OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag) 		3 SER A 591
TYR A 578
PRO A 587
 None
 0.91A 4kahA-4n75A:
undetectable		 4kahA-4n75A:
24.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nsx U3 SMALL NUCLEOLAR
RNA-ASSOCIATED
PROTEIN 21

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		3 SER A 350
TYR A 295
PRO A 353
 None
 0.75A 4kahA-4nsxA:
undetectable		 4kahA-4nsxA:
19.28
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.
4oan TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT

(Rhodopseudomonas
palustris) 		PF03480
(DctP) 		3 SER A 224
TYR A 229
PRO A  43
 None
 0.90A 4kahA-4oanA:
undetectable		 4kahA-4oanA:
28.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oo2 CHLOROPHENOL-4-MONOO
XYGENASE

(Streptomyces
globisporus) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		3 SER A 126
TYR A 123
PRO A 374
 None
 0.91A 4kahA-4oo2A:
undetectable		 4kahA-4oo2A:
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.
4q2b ENDO-1,4-BETA-D-GLUC
ANASE

(Pseudomonas
putida) 		PF01270
(Glyco_hydro_8) 		3 SER A 115
TYR A 182
PRO A  94
 None
 0.91A 4kahA-4q2bA:
undetectable		 4kahA-4q2bA:
23.57
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.
4quk DIHYDROFLAVONOL-4-RE
DUCTASE

(Medicago
truncatula) 		PF01370
(Epimerase) 		3 SER A 261
TYR A 286
PRO A 277
 None
 0.93A 4kahA-4qukA:
3.9		 4kahA-4qukA:
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.
4rg1 C9ORF114

(Homo sapiens) 		PF02598
(Methyltrn_RNA_3) 		3 SER A 177
TYR A 259
PRO A 152
 None
 0.94A 4kahA-4rg1A:
3.0		 4kahA-4rg1A:
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.
4wxp NS3-4 PROTEASE

(Hepacivirus C) 		PF07652
(Flavi_DEAD) 		3 SER A 294
TYR A 270
PRO A 326
 None
 0.78A 4kahA-4wxpA:
undetectable		 4kahA-4wxpA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y7p ALKALINE D-PEPTIDASE

(Bacillus cereus) 		PF00144
(Beta-lactamase) 		3 SER A 215
TYR A 240
PRO A 211
 None
 0.83A 4kahA-4y7pA:
undetectable		 4kahA-4y7pA:
23.56
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.
4yu9 GLUTAMINYL-PEPTIDE
CYCLOTRANSFERASE

(Homo sapiens) 		PF04389
(Peptidase_M28) 		3 SER A 323
TYR A 299
PRO A 326
 None
 0.90A 4kahA-4yu9A:
undetectable		 4kahA-4yu9A:
20.83
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.
4z6k ALCOHOL
DEHYDROGENASE

(Moraxella sp.
TAE123) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 SER A 295
TYR A 183
PRO A 135
 None
 0.95A 4kahA-4z6kA:
5.8		 4kahA-4z6kA:
21.05
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		3 SER A 530
TYR A 511
PRO A 526
 None
 0.95A 4kahA-5hjrA:
undetectable		 4kahA-5hjrA:
17.42
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.
5huu ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
[UDP-FORMING]

(Candida
albicans) 		PF00982
(Glyco_transf_20) 		3 SER A  93
TYR A 118
PRO A  99
 None
 0.66A 4kahA-5huuA:
5.1		 4kahA-5huuA:
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.
5hvm ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Aspergillus
fumigatus) 		PF00982
(Glyco_transf_20) 		3 SER A 101
TYR A 126
PRO A 107
 None
 0.66A 4kahA-5hvmA:
3.1		 4kahA-5hvmA:
22.18
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.
5hvo ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Aspergillus
fumigatus) 		PF00982
(Glyco_transf_20) 		3 SER A 100
TYR A 125
PRO A 106
 None
 0.72A 4kahA-5hvoA:
4.1		 4kahA-5hvoA:
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.
5hxa ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Paraburkholderia
xenovorans) 		PF00982
(Glyco_transf_20) 		3 SER A  89
TYR A 114
PRO A  95
 None
 0.74A 4kahA-5hxaA:
4.3		 4kahA-5hxaA:
22.38
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.
5i85 SPHINGOMYELIN
PHOSPHODIESTERASE

(Homo sapiens) 		PF00149
(Metallophos) 		3 SER A 199
TYR A 372
PRO A 269
 None
NAG  A 711 (-4.6A)
None
 0.94A 4kahA-5i85A:
2.6		 4kahA-5i85A:
20.33
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.
5jbk BETA-GLUCOSIDASE

(Trichoderma
harzianum) 		PF00232
(Glyco_hydro_1) 		3 SER A 451
TYR A 393
PRO A 448
 None
 0.90A 4kahA-5jbkA:
3.4		 4kahA-5jbkA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jij ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE

(Mycolicibacterium
thermoresistibile) 		PF00982
(Glyco_transf_20) 		3 SER A  94
TYR A 119
PRO A 100
 None
 0.69A 4kahA-5jijA:
5.0		 4kahA-5jijA:
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.
5jxm PRIB

(Streptomyces
sp. RM-5-8) 		PF11991
(Trp_DMAT) 		3 SER A  96
TYR A 380
PRO A 105
 None
TRS  A 501 ( 4.5A)
None
 0.88A 4kahA-5jxmA:
undetectable		 4kahA-5jxmA:
23.04
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.
5k9t PROTEIN TRANSLOCASE
SUBUNIT SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07517
(SecA_DEAD) 		3 SER A 232
TYR A 236
PRO A 228
 None
 0.79A 4kahA-5k9tA:
undetectable		 4kahA-5k9tA:
22.18
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.
5l7v GLYCOSIDE HYDROLASE

(Bacteroides
vulgatus) 		PF13320
(DUF4091) 		3 SER A 497
TYR A 491
PRO A 443
 None
 0.79A 4kahA-5l7vA:
2.1		 4kahA-5l7vA:
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.
5loi RAD26

(Thermothelomyces
thermophila) 		PF12331
(DUF3636) 		3 SER A 531
TYR A 527
PRO A 535
 None
 0.94A 4kahA-5loiA:
undetectable		 4kahA-5loiA:
22.41
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.
5m76 LIGHT CHAIN DIMER

(Homo sapiens) 		no annotation 3 SER A 178
TYR A 180
PRO A 167
 None
 0.95A 4kahA-5m76A:
undetectable		 4kahA-5m76A:
21.49
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus) 		no annotation 3 SER A  39
TYR A  79
PRO A 139
 None
 0.80A 4kahA-5n7qA:
undetectable		 4kahA-5n7qA:
13.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5thm ESTERASE-6

(Drosophila
melanogaster) 		PF00135
(COesterase) 		3 SER A  26
TYR A  24
PRO A  62
 None
None
MLY  A  60 ( 4.3A)
 0.79A 4kahA-5thmA:
undetectable		 4kahA-5thmA:
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.
5tvg ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Burkholderia
vietnamiensis) 		PF00982
(Glyco_transf_20) 		3 SER A  82
TYR A 107
PRO A  88
 None
 0.70A 4kahA-5tvgA:
4.1		 4kahA-5tvgA:
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.
5tvg ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Burkholderia
vietnamiensis) 		PF00982
(Glyco_transf_20) 		3 SER A 269
TYR A 268
PRO A 158
 None
 0.97A 4kahA-5tvgA:
4.1		 4kahA-5tvgA:
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.
5ue0 CT622 PROTEIN

(Chlamydia
trachomatis) 		no annotation 3 SER A 471
TYR A 478
PRO A 383
 None
 0.92A 4kahA-5ue0A:
undetectable		 4kahA-5ue0A:
13.62
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.
5v0t ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Paraburkholderia
xenovorans) 		PF00982
(Glyco_transf_20) 		3 SER A  90
TYR A 115
PRO A  96
 None
 0.73A 4kahA-5v0tA:
3.9		 4kahA-5v0tA:
23.12
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.
5v0t ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Paraburkholderia
xenovorans) 		PF00982
(Glyco_transf_20) 		3 SER A 281
TYR A 280
PRO A 166
 None
 0.92A 4kahA-5v0tA:
3.9		 4kahA-5v0tA:
23.12
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.
5van BETA-KLOTHO

(Homo sapiens) 		no annotation 3 SER A 605
TYR A 623
PRO A 652
 None
 0.97A 4kahA-5vanA:
3.3		 4kahA-5vanA:
13.07
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.
5wwo ESSENTIAL NUCLEAR
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF05291
(Bystin) 		3 SER A 352
TYR A 380
PRO A 314
 None
 0.92A 4kahA-5wwoA:
undetectable		 4kahA-5wwoA:
21.08
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.
5xeb ENVELOPE
GLYCOPROTEIN

(Dhori
thogotovirus) 		PF03273
(Baculo_gp64) 		3 SER A 160
TYR A 146
PRO A 115
 None
 0.96A 4kahA-5xebA:
undetectable		 4kahA-5xebA:
23.42
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		3 SER C2051
TYR C2004
PRO C2061
 None
 0.72A 4kahA-5y3rC:
undetectable		 4kahA-5y3rC:
6.34
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.
5yhp COLD ACTIVE PROLINE
IMINOPEPTIDASE

(Glaciozyma
antarctica) 		no annotation 3 SER A 233
TYR A 181
PRO A  44
 None
 0.91A 4kahA-5yhpA:
undetectable		 4kahA-5yhpA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yow GLYCOPROTEIN
POLYPROTEIN

(Heartland virus) 		no annotation 3 SER A 317
TYR A 315
PRO A  37
 None
 0.93A 4kahA-5yowA:
undetectable		 4kahA-5yowA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ze8 CYTOCHROME C552

(Thermochromatium
tepidum) 		no annotation 3 SER A  42
TYR A  53
PRO A 119
 HEM  A 503 ( 4.7A)
None
None
 0.85A 4kahA-5ze8A:
undetectable		 4kahA-5ze8A:
13.36
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.
6c4r STAPHYLOPINE
DEHYDROGENASE

(Staphylococcus
aureus) 		no annotation 3 SER A 123
TYR A  96
PRO A 202
 None
 0.58A 4kahA-6c4rA:
2.7		 4kahA-6c4rA:
15.36
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.
6cbp DH270.6 SINGLE CHAIN
VARIABLE FRAGMENT

(Homo sapiens) 		no annotation 3 SER A 108
TYR A 106
PRO A 112
 None
NAG  A 302 ( 4.9A)
None
 0.91A 4kahA-6cbpA:
undetectable		 4kahA-6cbpA:
9.83