SIMILAR PATTERNS OF AMINO ACIDS FOR 4AC9_C_DXCC1476_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.
1all ALLOPHYCOCYANIN

(Arthrospira
platensis) 		PF00502
(Phycobilisome) 		4 ILE A  99
ALA A 162
MET A  44
ARG A  39
 None
 1.29A 4ac9B-1allA:
undetectable
4ac9C-1allA:
undetectable		 4ac9B-1allA:
16.99
4ac9C-1allA:
16.99
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.
1bxz NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ILE A 306
ALA A 145
HIS A 135
ARG A  80
 None
 1.00A 4ac9B-1bxzA:
undetectable
4ac9C-1bxzA:
2.6		 4ac9B-1bxzA:
22.86
4ac9C-1bxzA:
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.
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans) 		PF00374
(NiFeSe_Hases) 		4 ILE B 259
ALA B 255
HIS B 114
MET B 111
 None
 1.31A 4ac9B-1e3dB:
undetectable
4ac9C-1e3dB:
undetectable		 4ac9B-1e3dB:
22.30
4ac9C-1e3dB:
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.
1itz TRANSKETOLASE

(Zea mays) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ILE A 460
ALA A 462
HIS A 424
ARG A 455
 None
 1.28A 4ac9B-1itzA:
undetectable
4ac9C-1itzA:
undetectable		 4ac9B-1itzA:
21.76
4ac9C-1itzA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jl7 MONOMER HEMOGLOBIN
COMPONENT III

(Glycera
dibranchiata) 		PF00042
(Globin) 		4 ILE A 137
ALA A 140
HIS A  72
MET A  79
 None
 1.26A 4ac9B-1jl7A:
undetectable
4ac9C-1jl7A:
undetectable		 4ac9B-1jl7A:
15.24
4ac9C-1jl7A:
15.24
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.
1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2

(Cricetulus
griseus) 		PF00478
(IMPDH)
PF00571
(CBS) 		4 ILE A 471
ALA A 473
MET A 482
ARG A 480
 None
 0.97A 4ac9B-1jr1A:
undetectable
4ac9C-1jr1A:
undetectable		 4ac9B-1jr1A:
22.63
4ac9C-1jr1A:
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.
1pd2 HEMATOPOIETIC
PROSTAGLANDIN D
SYNTHASE

(Rattus
norvegicus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 ILE 1  51
ALA 1  15
HIS 1  32
ARG 1  33
 GSH  1 301 (-4.6A)
None
None
None
 0.80A 4ac9B-1pd21:
undetectable
4ac9C-1pd21:
undetectable		 4ac9B-1pd21:
16.36
4ac9C-1pd21:
16.36
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.
1rlm PHOSPHATASE

(Escherichia
coli) 		PF08282
(Hydrolase_3) 		4 ILE A 196
ALA A 212
HIS A 191
MET A 222
 None
 1.35A 4ac9B-1rlmA:
undetectable
4ac9C-1rlmA:
2.5		 4ac9B-1rlmA:
20.95
4ac9C-1rlmA:
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.
1ufr PYR MRNA-BINDING
ATTENUATION PROTEIN

(Thermus
thermophilus) 		PF00156
(Pribosyltran) 		4 ILE A  50
ALA A 131
HIS A  22
ARG A  19
 None
 0.93A 4ac9B-1ufrA:
3.3
4ac9C-1ufrA:
undetectable		 4ac9B-1ufrA:
17.28
4ac9C-1ufrA:
17.28
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.
1v40 GLUTATHIONE-REQUIRIN
G PROSTAGLANDIN D
SYNTHASE

(Homo sapiens) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 ILE A  51
ALA A  15
HIS A  32
ARG A  33
 GSH  A3200 (-4.2A)
None
None
None
 0.86A 4ac9B-1v40A:
undetectable
4ac9C-1v40A:
undetectable		 4ac9B-1v40A:
19.29
4ac9C-1v40A:
19.29
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.
1vpx PROTEIN
(TRANSALDOLASE (EC
2.2.1.2))

(Thermotoga
maritima) 		PF00923
(TAL_FSA) 		4 ILE A  84
ALA A  93
MET A  66
ARG A  71
 None
 1.32A 4ac9B-1vpxA:
2.4
4ac9C-1vpxA:
2.2		 4ac9B-1vpxA:
20.92
4ac9C-1vpxA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 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) 		4 ILE A   2
ALA A  48
HIS A   0
MET A  19
 None
 1.25A 4ac9B-1vq0A:
undetectable
4ac9C-1vq0A:
undetectable		 4ac9B-1vq0A:
23.43
4ac9C-1vq0A:
23.43
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.
1wz2 LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 ILE A 590
HIS A 592
MET A 594
ARG A  28
 None
 1.13A 4ac9B-1wz2A:
undetectable
4ac9C-1wz2A:
undetectable		 4ac9B-1wz2A:
20.50
4ac9C-1wz2A:
20.50
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.
1x9e HMG-COA SYNTHASE

(Enterococcus
faecalis) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		4 ALA A  56
HIS A  93
MET A  96
ARG A  94
 None
 1.26A 4ac9B-1x9eA:
undetectable
4ac9C-1x9eA:
undetectable		 4ac9B-1x9eA:
20.12
4ac9C-1x9eA:
20.12
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		4 ILE A 242
ALA A 245
HIS A 305
ARG A 290
 9CR  A 201 ( 4.4A)
9CR  A 201 (-3.6A)
None
9CR  A 201 (-2.8A)
 1.17A 4ac9B-1xiuA:
undetectable
4ac9C-1xiuA:
undetectable		 4ac9B-1xiuA:
21.84
4ac9C-1xiuA:
21.84
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.
1z1w TRICORN PROTEASE
INTERACTING FACTOR
F3

(Thermoplasma
acidophilum) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 ILE A 238
ALA A 199
HIS A 220
MET A 219
 None
 1.17A 4ac9B-1z1wA:
3.1
4ac9C-1z1wA:
undetectable		 4ac9B-1z1wA:
21.13
4ac9C-1z1wA:
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.
2akj FERREDOXIN--NITRITE
REDUCTASE,
CHLOROPLAST

(Spinacia
oleracea) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 ILE A 129
ALA A 138
MET A 381
ARG A 426
 None
 1.32A 4ac9B-2akjA:
undetectable
4ac9C-2akjA:
undetectable		 4ac9B-2akjA:
22.26
4ac9C-2akjA:
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.
2bfe 2-OXOISOVALERATE
DEHYDROGENASE ALPHA
SUBUNIT

(Homo sapiens) 		PF00676
(E1_dh) 		4 ILE A 168
ALA A 195
HIS A 202
ARG A 242
 None
TDP  A 601 (-3.5A)
None
None
 1.21A 4ac9B-2bfeA:
3.3
4ac9C-2bfeA:
2.8		 4ac9B-2bfeA:
21.70
4ac9C-2bfeA:
21.70
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.
2dht 409AA LONG
HYPOTHETICAL
NADP-DEPENDENT
ISOCITRATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00180
(Iso_dh) 		4 ILE A 290
ALA A 304
MET A 145
ARG A 125
 None
 1.25A 4ac9B-2dhtA:
undetectable
4ac9C-2dhtA:
3.0		 4ac9B-2dhtA:
24.81
4ac9C-2dhtA:
24.81
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.
2dqb DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE,
PUTATIVE

(Thermus
thermophilus) 		PF01966
(HD)
PF13286
(HD_assoc) 		4 ILE A 142
ALA A 360
HIS A 145
ARG A 353
 None
 1.35A 4ac9B-2dqbA:
undetectable
4ac9C-2dqbA:
undetectable		 4ac9B-2dqbA:
20.82
4ac9C-2dqbA:
20.82
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.
2eq5 228AA LONG
HYPOTHETICAL
HYDANTOIN RACEMASE

(Pyrococcus
horikoshii) 		PF01177
(Asp_Glu_race) 		4 ILE A  98
ALA A  75
HIS A 212
ARG A 217
 None
 1.05A 4ac9B-2eq5A:
3.5
4ac9C-2eq5A:
3.5		 4ac9B-2eq5A:
19.59
4ac9C-2eq5A:
19.59
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.
2kca BACTERIOPHAGE SPP1
COMPLETE NUCLEOTIDE
SEQUENCE

(Bacillus phage
SPP1) 		PF05521
(Phage_H_T_join) 		4 ILE A  43
ALA A  68
HIS A  71
ARG A  40
 None
 1.25A 4ac9B-2kcaA:
undetectable
4ac9C-2kcaA:
undetectable		 4ac9B-2kcaA:
13.28
4ac9C-2kcaA:
13.28
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.
2n0s FE-HYDROGENASE

(Chlamydomonas
reinhardtii) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C) 		4 ALA A 159
HIS A 210
MET A 179
ARG A 206
 None
 1.26A 4ac9B-2n0sA:
undetectable
4ac9C-2n0sA:
undetectable		 4ac9B-2n0sA:
22.33
4ac9C-2n0sA:
22.33
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.
2n7d PROTEIN DDI1 HOMOLOG
2

(Homo sapiens) 		PF00240
(ubiquitin) 		4 ALA A 162
HIS A 100
MET A 101
ARG A  99
 None
 1.36A 4ac9B-2n7dA:
undetectable
4ac9C-2n7dA:
undetectable		 4ac9B-2n7dA:
12.76
4ac9C-2n7dA:
12.76
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.
2p7h HYPOTHETICAL PROTEIN

(Pectobacterium
atrosepticum) 		PF13489
(Methyltransf_23) 		4 ILE A 198
ALA A 237
HIS A  29
MET A  28
 None
 1.29A 4ac9B-2p7hA:
undetectable
4ac9C-2p7hA:
undetectable		 4ac9B-2p7hA:
19.34
4ac9C-2p7hA:
19.34
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.
2qjc DIADENOSINE
TETRAPHOSPHATASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00149
(Metallophos) 		4 ILE A  23
ALA A 233
HIS A 135
ARG A  20
 None
 1.21A 4ac9B-2qjcA:
undetectable
4ac9C-2qjcA:
undetectable		 4ac9B-2qjcA:
21.07
4ac9C-2qjcA:
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.
2wj3 1-H-3-HYDROXY-4-OXOQ
UINALDINE
2,4-DIOXYGENASE

(Paenarthrobacter
nitroguajacolicus) 		PF00561
(Abhydrolase_1) 		4 ILE A 123
ALA A 261
HIS A 217
MET A 125
 None
 1.30A 4ac9B-2wj3A:
5.7
4ac9C-2wj3A:
4.8		 4ac9B-2wj3A:
19.63
4ac9C-2wj3A:
19.63
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.
2yk6 CMP-N-ACETYLNEURAMIN
ATE-BETA-GALACTOSAMI
DE-ALPHA-2,3-SIALYLT
RANSFERASE

(Neisseria
meningitidis) 		PF07922
(Glyco_transf_52) 		4 ILE A  53
ALA A 100
HIS A  71
MET A  68
 None
 1.32A 4ac9B-2yk6A:
undetectable
4ac9C-2yk6A:
undetectable		 4ac9B-2yk6A:
23.51
4ac9C-2yk6A:
23.51
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.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE

(Bifidobacterium
longum) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		4 ILE A 573
ALA A 516
HIS A 571
ARG A 524
 None
 1.35A 4ac9B-3ai7A:
1.8
4ac9C-3ai7A:
2.1		 4ac9B-3ai7A:
19.98
4ac9C-3ai7A:
19.98
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.
3auf GLYCINAMIDE
RIBONUCLEOTIDE
TRANSFORMYLASE 1

(Symbiobacterium
toebii) 		PF00551
(Formyl_trans_N) 		4 ILE A 108
ALA A 181
HIS A 175
ARG A 176
 None
 1.22A 4ac9B-3aufA:
3.6
4ac9C-3aufA:
3.2		 4ac9B-3aufA:
21.47
4ac9C-3aufA:
21.47
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.
3bww PROTEIN OF UNKNOWN
FUNCTION
DUF692/COG3220

(Histophilus
somni) 		PF05114
(DUF692) 		4 ILE A  31
ALA A  51
MET A  29
ARG A   2
 None
 1.19A 4ac9B-3bwwA:
2.7
4ac9C-3bwwA:
2.8		 4ac9B-3bwwA:
21.13
4ac9C-3bwwA:
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.
3ct7 D-ALLULOSE-6-PHOSPHA
TE 3-EPIMERASE

(Escherichia
coli) 		PF00834
(Ribul_P_3_epim) 		4 ILE A  84
ALA A  77
MET A 107
ARG A 104
 None
 1.26A 4ac9B-3ct7A:
2.5
4ac9C-3ct7A:
2.6		 4ac9B-3ct7A:
16.77
4ac9C-3ct7A:
16.77
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.
3dmp URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Burkholderia
pseudomallei) 		PF14681
(UPRTase) 		4 ILE A  42
ALA A 188
HIS A  24
ARG A  26
 None
 1.29A 4ac9B-3dmpA:
3.4
4ac9C-3dmpA:
3.6		 4ac9B-3dmpA:
19.22
4ac9C-3dmpA:
19.22
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.
3fhk UPF0403 PROTEIN YPHP

(Bacillus
subtilis) 		PF06491
(Disulph_isomer) 		4 ILE A 132
ALA A  60
MET A 107
ARG A 121
 None
 1.13A 4ac9B-3fhkA:
undetectable
4ac9C-3fhkA:
2.1		 4ac9B-3fhkA:
18.28
4ac9C-3fhkA:
18.28
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.
3fsr NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Clostridium
beijerinckii;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ILE A 306
ALA A 145
HIS A 135
ARG A  80
 None
 0.97A 4ac9B-3fsrA:
undetectable
4ac9C-3fsrA:
2.9		 4ac9B-3fsrA:
22.72
4ac9C-3fsrA:
22.72
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.
3g0o 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Salmonella
enterica) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 ILE A 189
ALA A 193
HIS A 229
MET A 227
 None
 1.21A 4ac9B-3g0oA:
3.3
4ac9C-3g0oA:
3.2		 4ac9B-3g0oA:
20.76
4ac9C-3g0oA:
20.76
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.
3h7l ENDOGLUCANASE

(Vibrio
parahaemolyticus) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		4 ILE A 480
ALA A 476
HIS A 552
ARG A 445
 None
 1.35A 4ac9B-3h7lA:
undetectable
4ac9C-3h7lA:
undetectable		 4ac9B-3h7lA:
21.52
4ac9C-3h7lA:
21.52
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.
3i6e MUCONATE
CYCLOISOMERASE I

(Ruegeria
pomeroyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ILE A 274
ALA A 283
HIS A 314
MET A 315
 None
 1.22A 4ac9B-3i6eA:
3.9
4ac9C-3i6eA:
2.7		 4ac9B-3i6eA:
21.09
4ac9C-3i6eA:
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.
3i6t MUCONATE
CYCLOISOMERASE

(Jannaschia sp.
CCS1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ILE A 270
ALA A 279
HIS A 310
MET A 311
 None
 1.26A 4ac9B-3i6tA:
4.7
4ac9C-3i6tA:
2.3		 4ac9B-3i6tA:
19.60
4ac9C-3i6tA:
19.60
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.
3khz PUTATIVE DIPEPTIDASE
SACOL1801

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20) 		4 ILE A 127
ALA A 123
HIS A 142
MET A 143
 None
 0.88A 4ac9B-3khzA:
undetectable
4ac9C-3khzA:
undetectable		 4ac9B-3khzA:
23.45
4ac9C-3khzA:
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.
3m49 TRANSKETOLASE

(Bacillus
anthracis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ILE A 406
ALA A 418
HIS A 134
MET A 130
 None
 1.05A 4ac9B-3m49A:
undetectable
4ac9C-3m49A:
2.9		 4ac9B-3m49A:
23.94
4ac9C-3m49A:
23.94
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.
3mtl CELL DIVISION
PROTEIN KINASE 16

(Homo sapiens) 		PF00069
(Pkinase) 		4 ILE A 462
ALA A 464
HIS A 454
ARG A 452
 None
 1.28A 4ac9B-3mtlA:
undetectable
4ac9C-3mtlA:
undetectable		 4ac9B-3mtlA:
21.77
4ac9C-3mtlA:
21.77
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.
3n23 SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		4 ILE A 582
ALA A 448
HIS A 383
MET A 584
 None
 1.29A 4ac9B-3n23A:
2.9
4ac9C-3n23A:
2.5		 4ac9B-3n23A:
20.56
4ac9C-3n23A:
20.56
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.
3oec CARVEOL
DEHYDROGENASE
(MYTHA.01326.C,
A0R518 HOMOLOG)

(Mycolicibacterium
thermoresistibile) 		PF13561
(adh_short_C2) 		4 ILE A 116
ALA A  49
HIS A  40
ARG A  43
 None
 0.79A 4ac9B-3oecA:
4.7
4ac9C-3oecA:
6.4		 4ac9B-3oecA:
22.04
4ac9C-3oecA:
22.04
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.
3pg1 MITOGEN-ACTIVATED
PROTEIN KINASE,
PUTATIVE (MAP
KINASE-LIKE PROTEIN)

(Leishmania
major) 		PF00069
(Pkinase) 		4 ILE A 164
ALA A 219
HIS A 141
MET A 139
 None
 0.98A 4ac9B-3pg1A:
undetectable
4ac9C-3pg1A:
undetectable		 4ac9B-3pg1A:
21.30
4ac9C-3pg1A:
21.30
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.
3swx PROBABLE ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacteroides
abscessus) 		PF00378
(ECH_1) 		4 ILE A 179
ALA A 154
HIS A 175
ARG A 176
 None
 1.18A 4ac9B-3swxA:
2.6
4ac9C-3swxA:
undetectable		 4ac9B-3swxA:
19.87
4ac9C-3swxA:
19.87
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.
3sx2 PUTATIVE
3-KETOACYL-(ACYL-CAR
RIER-PROTEIN)
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		4 ILE A 103
ALA A  36
HIS A  27
ARG A  30
 None
 0.83A 4ac9B-3sx2A:
5.9
4ac9C-3sx2A:
4.5		 4ac9B-3sx2A:
20.95
4ac9C-3sx2A:
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.
3t43 HIV EPITOPE-SCAFFOLD
4E10_1XIZA_S0_006_C

(synthetic
construct) 		PF00359
(PTS_EIIA_2) 		4 ILE A   8
ALA A  12
HIS A  51
MET A  90
 None
 1.17A 4ac9B-3t43A:
undetectable
4ac9C-3t43A:
undetectable		 4ac9B-3t43A:
18.37
4ac9C-3t43A:
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.
3tfx OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Lactobacillus
acidophilus) 		PF00215
(OMPdecase) 		4 ILE A  96
ALA A  89
HIS A 153
MET A 150
 None
 1.21A 4ac9B-3tfxA:
2.4
4ac9C-3tfxA:
2.3		 4ac9B-3tfxA:
21.11
4ac9C-3tfxA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		4 ALA A 146
HIS A   0
MET A   2
ARG A 105
 None
 1.18A 4ac9B-3ummA:
3.8
4ac9C-3ummA:
undetectable		 4ac9B-3ummA:
16.70
4ac9C-3ummA:
16.70
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.
3ure ALPHA-LYTIC PROTEASE

(Lysobacter
enzymogenes) 		PF00089
(Trypsin) 		4 ILE A  35
ALA A  39
HIS A  57
ARG A 192
 None
None
SO4  A 304 (-3.8A)
None
 1.11A 4ac9B-3ureA:
2.7
4ac9C-3ureA:
3.1		 4ac9B-3ureA:
16.60
4ac9C-3ureA:
16.60
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.
3w64 MAGNETOSOME PROTEIN
MAMM

(Magnetospirillum
gryphiswaldense) 		PF16916
(ZT_dimer) 		4 ILE A 221
ALA A 225
HIS A 236
MET A 250
 None
 1.35A 4ac9B-3w64A:
undetectable
4ac9C-3w64A:
undetectable		 4ac9B-3w64A:
12.40
4ac9C-3w64A:
12.40
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.
3w8g MAGNETOSOME PROTEIN
MAMM

(Magnetospirillum
gryphiswaldense) 		PF16916
(ZT_dimer) 		4 ILE A 252
ALA A 225
HIS A 285
MET A 250
 None
 1.17A 4ac9B-3w8gA:
undetectable
4ac9C-3w8gA:
undetectable		 4ac9B-3w8gA:
14.91
4ac9C-3w8gA:
14.91
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.
4a2w RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		4 ILE A 109
ALA A 181
MET A 113
ARG A 547
 None
 1.25A 4ac9B-4a2wA:
undetectable
4ac9C-4a2wA:
undetectable		 4ac9B-4a2wA:
20.56
4ac9C-4a2wA:
20.56
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.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ILE A 405
ALA A 417
HIS A 135
MET A 131
 None
 1.06A 4ac9B-4c7vA:
undetectable
4ac9C-4c7vA:
undetectable		 4ac9B-4c7vA:
24.06
4ac9C-4c7vA:
24.06
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.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 ILE A 699
ALA A 697
MET A 693
ARG A 402
 None
NAG  B3452 (-3.3A)
None
None
 1.26A 4ac9B-4cakA:
undetectable
4ac9C-4cakA:
undetectable		 4ac9B-4cakA:
18.76
4ac9C-4cakA:
18.76
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.
4cyj PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN3-LIKE PROTEIN

(Chaetomium
thermophilum) 		no annotation 4 ILE A 490
ALA A 378
HIS A 492
MET A 494
 None
 1.08A 4ac9B-4cyjA:
undetectable
4ac9C-4cyjA:
undetectable		 4ac9B-4cyjA:
21.37
4ac9C-4cyjA:
21.37
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.
4dyv SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Xanthobacter
autotrophicus) 		PF00106
(adh_short) 		4 ILE A 159
HIS A 198
MET A 149
ARG A 147
 None
 1.34A 4ac9B-4dyvA:
7.5
4ac9C-4dyvA:
7.3		 4ac9B-4dyvA:
20.48
4ac9C-4dyvA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e04 BACTERIOPHYTOCHROME
(LIGHT-REGULATED
SIGNAL TRANSDUCTION
HISTIDINE KINASE),
PHYB1

(Rhodopseudomonas
palustris) 		PF01590
(GAF)
PF08446
(PAS_2) 		4 ILE A  91
ALA A  79
HIS A 109
ARG A 110
 None
 1.34A 4ac9B-4e04A:
undetectable
4ac9C-4e04A:
undetectable		 4ac9B-4e04A:
20.88
4ac9C-4e04A:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f7z RAP GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 4

(Mus musculus) 		PF00027
(cNMP_binding)
PF00610
(DEP)
PF00617
(RasGEF)
PF00618
(RasGEF_N) 		4 ILE A 779
ALA A 937
HIS A 519
MET A 517
 None
 0.98A 4ac9B-4f7zA:
undetectable
4ac9C-4f7zA:
undetectable		 4ac9B-4f7zA:
20.96
4ac9C-4f7zA:
20.96
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.
4i7i RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		4 ILE A 404
ALA A 400
HIS A 284
ARG A 221
 None
 1.32A 4ac9B-4i7iA:
undetectable
4ac9C-4i7iA:
undetectable		 4ac9B-4i7iA:
21.94
4ac9C-4i7iA:
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.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ILE A  97
ALA A 454
HIS A 388
ARG A 124
 None
 1.10A 4ac9B-4iigA:
4.0
4ac9C-4iigA:
4.3		 4ac9B-4iigA:
21.22
4ac9C-4iigA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j0k TANNASE

(Lactobacillus
plantarum) 		no annotation 4 ILE A 428
ALA A 431
HIS A 415
ARG A 414
 None
 1.12A 4ac9B-4j0kA:
3.7
4ac9C-4j0kA:
3.4		 4ac9B-4j0kA:
20.58
4ac9C-4j0kA:
20.58
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.
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN

(Homo sapiens;
Rattus
norvegicus) 		PF00012
(HSP70) 		4 ILE A 389
ALA A 534
HIS A 540
ARG A 541
 IOD  A 606 ( 4.7A)
None
None
None
 1.19A 4ac9B-4j8fA:
2.4
4ac9C-4j8fA:
2.2		 4ac9B-4j8fA:
23.62
4ac9C-4j8fA:
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.
4jkl BETA-GLUCURONIDASE

(Streptococcus
agalactiae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		4 ILE A 481
ALA A 477
HIS A 531
MET A 529
 MG  A 603 ( 4.2A)
None
None
None
 1.12A 4ac9B-4jklA:
3.0
4ac9C-4jklA:
3.5		 4ac9B-4jklA:
21.60
4ac9C-4jklA:
21.60
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.
4jqs HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF06283
(ThuA) 		4 ILE A 218
ALA A 174
HIS A 120
MET A 232
 None
 1.23A 4ac9B-4jqsA:
4.7
4ac9C-4jqsA:
5.3		 4ac9B-4jqsA:
17.81
4ac9C-4jqsA:
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.
4jzj INTERLEUKIN-3
RECEPTOR SUBUNIT
ALPHA

(Homo sapiens) 		PF09240
(IL6Ra-bind) 		4 ILE C 271
HIS C 224
MET C 223
ARG C 256
 None
 1.00A 4ac9B-4jzjC:
undetectable
4ac9C-4jzjC:
undetectable		 4ac9B-4jzjC:
17.94
4ac9C-4jzjC:
17.94
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.
4m62 T117

(synthetic
construct) 		PF00359
(PTS_EIIA_2) 		4 ILE S  32
ALA S  36
HIS S  75
MET S 114
 None
 1.22A 4ac9B-4m62S:
undetectable
4ac9C-4m62S:
undetectable		 4ac9B-4m62S:
17.49
4ac9C-4m62S:
17.49
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.
4mdc PUTATIVE GLUTATHIONE
S-TRANSFERASE

(Sinorhizobium
meliloti) 		PF13417
(GST_N_3)
PF14497
(GST_C_3) 		4 ILE A 178
ALA A 195
HIS A 148
MET A 149
 None
 1.11A 4ac9B-4mdcA:
undetectable
4ac9C-4mdcA:
undetectable		 4ac9B-4mdcA:
20.50
4ac9C-4mdcA:
20.50
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.
4mh0 RAP GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 4

(Mus musculus) 		PF00027
(cNMP_binding)
PF00617
(RasGEF)
PF00618
(RasGEF_N) 		4 ILE E 779
ALA E 937
HIS E 519
MET E 517
 None
 1.17A 4ac9B-4mh0E:
undetectable
4ac9C-4mh0E:
undetectable		 4ac9B-4mh0E:
22.48
4ac9C-4mh0E:
22.48
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.
4mhb PUTATIVE ALDO/KETO
REDUCTASE

(Yersinia pestis) 		PF00248
(Aldo_ket_red) 		4 ILE A 120
ALA A  99
MET A 134
ARG A 132
 None
 1.34A 4ac9B-4mhbA:
2.7
4ac9C-4mhbA:
2.4		 4ac9B-4mhbA:
21.15
4ac9C-4mhbA:
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.
4mtt LACTOYLGLUTATHIONE
LYASE

(Pseudomonas
aeruginosa) 		PF00903
(Glyoxalase) 		4 ILE A 124
ALA A  82
HIS A  74
ARG A  98
 GOL  A 204 (-4.7A)
None
NI  A 205 ( 3.3A)
None
 1.35A 4ac9B-4mttA:
undetectable
4ac9C-4mttA:
undetectable		 4ac9B-4mttA:
13.63
4ac9C-4mttA:
13.63
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.
4n7r GLUTAMYL-TRNA
REDUCTASE 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00745
(GlutR_dimer)
PF01488
(Shikimate_DH)
PF05201
(GlutR_N) 		4 ILE A 194
ALA A 190
HIS A 238
ARG A 437
 None
 1.15A 4ac9B-4n7rA:
4.2
4ac9C-4n7rA:
3.4		 4ac9B-4n7rA:
22.30
4ac9C-4n7rA:
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.
4p80 ANCESTRAL PYRR
PROTEIN (GREEN)

(synthetic
construct) 		PF00156
(Pribosyltran) 		4 ALA A 132
HIS A  22
MET A  24
ARG A  19
 None
 1.21A 4ac9B-4p80A:
3.0
4ac9C-4p80A:
3.3		 4ac9B-4p80A:
19.41
4ac9C-4p80A:
19.41
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.
4phx PROTEIN AGGB

(Escherichia
coli) 		no annotation 4 ILE B  26
ALA B 134
HIS B  32
ARG B  29
 None
 1.01A 4ac9B-4phxB:
undetectable
4ac9C-4phxB:
undetectable		 4ac9B-4phxB:
17.77
4ac9C-4phxB:
17.77
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.
4q5g SERUM AMYLOID A-3
PROTEIN

(Mus musculus) 		PF00277
(SAA) 		4 ILE A  76
ALA A  62
MET A  35
ARG A  33
 None
 1.32A 4ac9B-4q5gA:
undetectable
4ac9C-4q5gA:
undetectable		 4ac9B-4q5gA:
11.72
4ac9C-4q5gA:
11.72
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.
4twr NAD BINDING
SITE:NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E:UDP-GLUCOSE
4-EPIMERASE

(Brucella
abortus) 		PF01370
(Epimerase) 		4 ILE A 115
ALA A  71
HIS A 241
ARG A 164
 None
 0.86A 4ac9B-4twrA:
6.7
4ac9C-4twrA:
7.5		 4ac9B-4twrA:
21.54
4ac9C-4twrA:
21.54
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.
4wgk NEUTRAL CERAMIDASE

(Homo sapiens) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		4 ILE A 527
ALA A 424
HIS A 427
ARG A 184
 None
 1.25A 4ac9B-4wgkA:
undetectable
4ac9C-4wgkA:
undetectable		 4ac9B-4wgkA:
23.55
4ac9C-4wgkA:
23.55
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.
4wqm TOLUENE-4-MONOOXYGEN
ASE ELECTRON
TRANSFER COMPONENT

(Pseudomonas
mendocina) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 ILE A 211
ALA A 244
MET A 117
ARG A 111
 None
 1.30A 4ac9B-4wqmA:
4.4
4ac9C-4wqmA:
4.5		 4ac9B-4wqmA:
22.05
4ac9C-4wqmA:
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.
4xzu 3E6 ANTIBODY FAB
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ILE A  51
ALA A  79
HIS A  35
ARG A  98
 None
 1.02A 4ac9B-4xzuA:
undetectable
4ac9C-4xzuA:
undetectable		 4ac9B-4xzuA:
17.05
4ac9C-4xzuA:
17.05
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.
4z43 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE PRNA

(Pseudomonas
fluorescens) 		PF04820
(Trp_halogenase) 		4 ILE A 381
ALA A 355
HIS A 383
MET A 384
 None
 1.07A 4ac9B-4z43A:
undetectable
4ac9C-4z43A:
undetectable		 4ac9B-4z43A:
20.80
4ac9C-4z43A:
20.80
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.
4zcf RESTRICTION
ENDONUCLEASE
ECOP15I,
MODIFICATION SUBUNIT

(Escherichia
coli) 		PF01555
(N6_N4_Mtase) 		4 ILE A 427
ALA A 430
MET A 119
ARG A 190
 None
 1.35A 4ac9B-4zcfA:
undetectable
4ac9C-4zcfA:
2.7		 4ac9B-4zcfA:
23.12
4ac9C-4zcfA:
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.
4zxw C-DOMAIN TYPE II
PEPTIDE SYNTHETASE

(Streptomyces
globisporus) 		PF00668
(Condensation) 		4 ILE A  45
ALA A 157
MET A 162
ARG A 295
 SUC  A 502 (-4.3A)
None
None
None
 1.29A 4ac9B-4zxwA:
undetectable
4ac9C-4zxwA:
undetectable		 4ac9B-4zxwA:
21.91
4ac9C-4zxwA:
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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT M

(Oryctolagus
cuniculus) 		PF01399
(PCI) 		4 ILE M 243
ALA M 211
HIS M 339
ARG M 278
 None
 1.18A 4ac9B-5a5tM:
undetectable
4ac9C-5a5tM:
undetectable		 4ac9B-5a5tM:
23.18
4ac9C-5a5tM:
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.
5bmo PUTATIVE
UNCHARACTERIZED
PROTEIN LNMX

(Streptomyces
atroolivaceus) 		PF02585
(PIG-L) 		4 ILE A 116
ALA A 168
HIS A 111
ARG A  14
 None
 1.25A 4ac9B-5bmoA:
2.8
4ac9C-5bmoA:
2.8		 4ac9B-5bmoA:
21.62
4ac9C-5bmoA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cvc SERINE RACEMASE

(Zea mays) 		PF00291
(PALP) 		4 ILE A 162
ALA A 249
HIS A  95
ARG A 143
 PLP  A 402 ( 4.8A)
None
None
None
 1.28A 4ac9B-5cvcA:
2.6
4ac9C-5cvcA:
3.9		 4ac9B-5cvcA:
20.99
4ac9C-5cvcA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fa1 PUTATIVE N-ACETYL
GLUCOSAMINYL
TRANSFERASE

(Raoultella
terrigena) 		PF05159
(Capsule_synth) 		4 ILE A 396
ALA A 399
HIS A 373
ARG A 168
 None
 1.07A 4ac9B-5fa1A:
2.6
4ac9C-5fa1A:
2.5		 4ac9B-5fa1A:
22.29
4ac9C-5fa1A:
22.29
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.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ILE A  98
ALA A 455
HIS A 389
ARG A 125
 None
 1.14A 4ac9B-5fjjA:
4.7
4ac9C-5fjjA:
5.9		 4ac9B-5fjjA:
20.02
4ac9C-5fjjA:
20.02
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.
5h8w ATP-DEPENDENT DNA
HELICASE TA0057

(Thermoplasma
acidophilum) 		PF06733
(DEAD_2)
PF06777
(HBB)
PF13307
(Helicase_C_2) 		4 ILE A 209
ALA A  39
HIS A 380
MET A 381
 None
 1.10A 4ac9B-5h8wA:
undetectable
4ac9C-5h8wA:
undetectable		 4ac9B-5h8wA:
22.31
4ac9C-5h8wA:
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.
5k6u PROTEIN SIDEKICK-1

(Mus musculus) 		PF07679
(I-set)
PF13927
(Ig_3) 		4 ILE A 308
HIS A 346
MET A 306
ARG A 336
 None
 1.25A 4ac9B-5k6uA:
undetectable
4ac9C-5k6uA:
undetectable		 4ac9B-5k6uA:
23.01
4ac9C-5k6uA:
23.01
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.
5k6w PROTEIN SIDEKICK-1

(Mus musculus) 		PF07679
(I-set)
PF13927
(Ig_3) 		4 ILE A 308
HIS A 346
MET A 306
ARG A 336
 None
 1.29A 4ac9B-5k6wA:
undetectable
4ac9C-5k6wA:
undetectable		 4ac9B-5k6wA:
23.33
4ac9C-5k6wA:
23.33
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.
5k6z PROTEIN
SIDEKICK-2,PROTEIN
SIDEKICK-1 CHIMERA

(Mus musculus) 		PF07679
(I-set)
PF13927
(Ig_3) 		4 ILE A 308
HIS A 346
MET A 306
ARG A 336
 None
 1.27A 4ac9B-5k6zA:
undetectable
4ac9C-5k6zA:
undetectable		 4ac9B-5k6zA:
23.33
4ac9C-5k6zA:
23.33
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.
5opj RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 ILE A 133
ALA A  69
HIS A 122
ARG A 123
 None
 1.05A 4ac9B-5opjA:
undetectable
4ac9C-5opjA:
2.3		 4ac9B-5opjA:
undetectable
4ac9C-5opjA:
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.
5u4h UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		4 ILE A  39
ALA A  31
HIS A 223
MET A 202
 None
 1.22A 4ac9B-5u4hA:
undetectable
4ac9C-5u4hA:
undetectable		 4ac9B-5u4hA:
22.31
4ac9C-5u4hA:
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.
5u81 ACID CERAMIDASE
ISOFORM B

(Heterocephalus
glaber) 		no annotation 4 ILE A 119
ALA A 205
HIS A  63
MET A  66
 None
 1.29A 4ac9B-5u81A:
undetectable
4ac9C-5u81A:
undetectable		 4ac9B-5u81A:
undetectable
4ac9C-5u81A:
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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM2

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		4 ILE 2 552
ALA 2 502
HIS 2 508
ARG 2 509
 None
 1.12A 4ac9B-5udb2:
undetectable
4ac9C-5udb2:
undetectable		 4ac9B-5udb2:
20.41
4ac9C-5udb2:
20.41
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.
5v91 FOSFOMYCIN
RESISTANCE PROTEIN

(Klebsiella
pneumoniae) 		PF00903
(Glyoxalase) 		4 ILE A  72
ALA A  81
HIS A 115
ARG A  96
 None
 0.99A 4ac9B-5v91A:
undetectable
4ac9C-5v91A:
undetectable		 4ac9B-5v91A:
14.70
4ac9C-5v91A:
14.70
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.
5y1z PROTEIN KINASE
C-BINDING PROTEIN 1

(Homo sapiens) 		no annotation 4 ILE C 242
ALA C 217
HIS C  95
ARG C 108
 None
 1.36A 4ac9B-5y1zC:
undetectable
4ac9C-5y1zC:
undetectable		 4ac9B-5y1zC:
19.41
4ac9C-5y1zC:
19.41
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.
6cri -

(-) 		no annotation 4 ILE G  14
ALA G  17
MET G  26
ARG G  24
 None
 0.91A 4ac9B-6criG:
undetectable
4ac9C-6criG:
undetectable		 4ac9B-6criG:
undetectable
4ac9C-6criG:
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.
6frl TRYPTOPHAN
HALOGENASE
SUPERFAMILY

(Brevundimonas
sp. BAL3) 		no annotation 4 ILE A  39
ALA A 178
HIS A  31
ARG A  33
 MES  A 602 (-4.2A)
None
None
None
 1.35A 4ac9B-6frlA:
undetectable
4ac9C-6frlA:
undetectable		 4ac9B-6frlA:
undetectable
4ac9C-6frlA:
undetectable