SIMILAR PATTERNS OF AMINO ACIDS FOR 4P3Q_A_FOLA201_1

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.
1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		4 ASP A 727
LEU A 726
ARG A 677
ARG A 596
 None
 1.40A 4p3qA-1e1cA:
undetectable		 4p3qA-1e1cA:
10.94
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.
1e2t N-HYDROXYARYLAMINE
O-ACETYLTRANSFERASE

(Salmonella
enterica) 		PF00797
(Acetyltransf_2) 		4 ASP A 122
LEU A 110
ARG A  81
THR A 129
 None
 1.42A 4p3qA-1e2tA:
undetectable		 4p3qA-1e2tA:
19.79
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.
1hkk CHITOTRIOSIDASE-1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 ASP A  73
LEU A  76
ARG A  40
THR A  68
 None
 1.26A 4p3qA-1hkkA:
undetectable		 4p3qA-1hkkA:
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.
1lua METHYLENE
TETRAHYDROMETHANOPTE
RIN DEHYDROGENASE

(Methylobacterium
extorquens) 		PF09176
(Mpt_N) 		4 ASP A  95
LEU A  94
ARG A 167
THR A 101
 None
 1.41A 4p3qA-1luaA:
undetectable		 4p3qA-1luaA:
18.82
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.
1mpx ALPHA-AMINO ACID
ESTER HYDROLASE

(Xanthomonas
citri) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		4 ASP A 145
LEU A 135
ARG A 292
THR A 148
 None
 1.47A 4p3qA-1mpxA:
undetectable		 4p3qA-1mpxA:
14.59
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.
1n61 CARBON MONOXIDE
DEHYDROGENASE MEDIUM
CHAIN

(Oligotropha
carboxidovorans) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 ASP C 124
LEU C 100
ARG C 281
THR C 217
 FAD  C3932 (-3.8A)
None
None
None
 1.28A 4p3qA-1n61C:
undetectable		 4p3qA-1n61C:
19.86
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.
1rfe HYPOTHETICAL PROTEIN
RV2991

(Mycobacterium
tuberculosis) 		PF01243
(Putative_PNPOx) 		4 ASP A  82
LEU A 152
ARG A   6
THR A  80
 None
 1.45A 4p3qA-1rfeA:
undetectable		 4p3qA-1rfeA:
17.61
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.
1yb4 TARTRONIC
SEMIALDEHYDE
REDUCTASE

(Salmonella
enterica) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 ASP A 116
LEU A 115
ARG A 144
THR A 100
 None
 1.46A 4p3qA-1yb4A:
undetectable		 4p3qA-1yb4A:
19.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		4 ASP A  27
LEU A  28
ARG A  57
THR A 115
 None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.3A)
None
 0.74A 4p3qA-1zdrA:
25.4		 4p3qA-1zdrA:
40.49
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.
2au1 IGG-DEGRADING
PROTEASE

(Streptococcus
pyogenes) 		PF09028
(Mac-1) 		4 ASP A  90
LEU A  93
ARG A 259
THR A  85
 None
None
BME  A 400 (-3.6A)
None
 1.41A 4p3qA-2au1A:
undetectable		 4p3qA-2au1A:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c1d SOXA
SOXX

(Paracoccus
denitrificans;
Paracoccus
pantotrophus) 		no annotation
PF00034
(Cytochrom_C) 		4 LEU A 223
ARG A 247
ARG A  68
THR B  78
 HEC  A1292 (-4.9A)
HEC  A1292 (-3.4A)
HEC  A1292 (-3.1A)
None
 1.46A 4p3qA-2c1dA:
undetectable		 4p3qA-2c1dA:
18.87
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.
2cfz SDS HYDROLASE SDSA1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 ASP A 121
LEU A 243
ARG A 312
THR A 145
 None
1DO  A1655 ( 4.7A)
1DO  A1655 (-4.3A)
None
 1.45A 4p3qA-2cfzA:
undetectable		 4p3qA-2cfzA:
12.56
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.
2cuk GLYCERATE
DEHYDROGENASE/GLYOXY
LATE REDUCTASE

(Thermus
thermophilus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ASP A  53
LEU A  37
ARG A   2
THR A  50
 None
 1.39A 4p3qA-2cukA:
undetectable		 4p3qA-2cukA:
19.48
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.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Staphylococcus
aureus;
Staphylococcus
aureus) 		PF01425
(Amidase)
PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		4 LEU B  48
ARG B  78
ARG A 323
THR A 106
 None
 1.34A 4p3qA-2f2aB:
undetectable		 4p3qA-2f2aB:
16.32
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.
2g4o 3-ISOPROPYLMALATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		4 ASP A 257
LEU A  90
ARG A  85
THR A 259
 None
 1.49A 4p3qA-2g4oA:
undetectable		 4p3qA-2g4oA:
19.82
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.
2id3 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF16859
(TetR_C_11) 		4 ASP A  89
LEU A  90
ARG A 134
THR A  83
 None
None
CL  A 610 ( 4.6A)
None
 1.47A 4p3qA-2id3A:
undetectable		 4p3qA-2id3A:
19.74
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 ASP A  32
LEU A  33
ARG A  70
THR A 134
 MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 3.1A)
MTX  A 605 ( 4.2A)
 0.54A 4p3qA-2oipA:
21.6		 4p3qA-2oipA:
16.88
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.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 LEU A1392
ARG A1502
ARG A1669
THR A1022
 None
 1.16A 4p3qA-2pffA:
undetectable		 4p3qA-2pffA:
7.27
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.
2pg8 DPGC

(Streptomyces
toyocaensis) 		PF00378
(ECH_1) 		4 ASP A 202
LEU A 205
ARG A 392
THR A 146
 None
 1.26A 4p3qA-2pg8A:
undetectable		 4p3qA-2pg8A:
15.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		4 LEU A  29
ARG A  53
ARG A  58
THR A 115
 MTX  A 200 ( 4.3A)
MTX  A 200 ( 3.5A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.4A)
 0.76A 4p3qA-2qk8A:
25.5		 4p3qA-2qk8A:
40.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		4 ASP A  27
LEU A  28
ARG A  57
THR A 111
 TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 ( 4.5A)
 0.65A 4p3qA-2w9sA:
26.0		 4p3qA-2w9sA:
38.51
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.
2ybu ACIDIC MAMMALIAN
CHITINASE

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 ASP A  73
LEU A  76
ARG A  40
THR A  68
 None
 1.25A 4p3qA-2ybuA:
undetectable		 4p3qA-2ybuA:
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		4 ASP A  26
LEU A  27
ARG A  57
THR A 116
 MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.51A 4p3qA-3dfrA:
24.2		 4p3qA-3dfrA:
29.27
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.
3efz 14-3-3 PROTEIN

(Cryptosporidium
parvum) 		PF00244
(14-3-3) 		4 LEU A 196
ARG A 231
ARG A 249
THR A 203
 None
 1.47A 4p3qA-3efzA:
undetectable		 4p3qA-3efzA:
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.
3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)

(Streptococcus
mutans) 		PF00215
(OMPdecase) 		4 ASP A  64
ARG A 197
ARG A 144
THR A  87
 5RP  A 501 ( 4.8A)
5RP  A 501 (-3.4A)
None
None
 1.26A 4p3qA-3exsA:
undetectable		 4p3qA-3exsA:
18.55
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.
3gsi N,N-DIMETHYLGLYCINE
OXIDASE

(Arthrobacter
globiformis) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		4 ASP A 389
LEU A 385
ARG A 380
THR A 391
 None
 1.43A 4p3qA-3gsiA:
undetectable		 4p3qA-3gsiA:
10.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		4 ASP X  27
LEU X  28
ARG X  57
THR X 111
 N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
None
N22  X 219 (-4.4A)
 0.44A 4p3qA-3i8aX:
26.0		 4p3qA-3i8aX:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		4 LEU A  29
ARG A  53
ARG A  58
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 (-3.8A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.3A)
 1.08A 4p3qA-3ia4A:
28.4		 4p3qA-3ia4A:
55.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		4 ASP A  28
LEU A  29
ARG A  58
THR A 115
 MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.44A 4p3qA-3tq9A:
25.9		 4p3qA-3tq9A:
43.98
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.
3ugg SUCROSE:(SUCROSE/FRU
CTAN)
6-FRUCTOSYLTRANSFERA
SE

(Pachysandra
terminalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 ASP A 485
LEU A 483
ARG A 325
THR A  20
 None
 1.48A 4p3qA-3uggA:
undetectable		 4p3qA-3uggA:
14.60
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.
3ukf UDP-GALACTOPYRANOSE
MUTASE

(Aspergillus
fumigatus) 		PF13450
(NAD_binding_8) 		4 ASP A  59
ARG A 182
ARG A 447
THR A  49
 None
GDU  A 802 (-3.5A)
FDA  A 600 (-3.9A)
None
 1.40A 4p3qA-3ukfA:
undetectable		 4p3qA-3ukfA:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wsy SORTILIN-RELATED
RECEPTOR

(Homo sapiens) 		PF15901
(Sortilin_C)
PF15902
(Sortilin-Vps10) 		4 ASP A 445
LEU A 644
ARG A 416
THR A 449
 None
 1.47A 4p3qA-3wsyA:
undetectable		 4p3qA-3wsyA:
14.22
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.
3zh4 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		4 ASP A 326
ARG A 398
ARG A  92
THR A 297
 None
FLC  A1419 (-2.9A)
FLC  A1419 ( 4.0A)
None
 1.27A 4p3qA-3zh4A:
undetectable		 4p3qA-3zh4A:
15.99
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.
3zzu ELONGATION FACTOR G

(Staphylococcus
aureus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		4 ASP A 283
LEU A 282
ARG A   3
THR A 249
 None
 1.44A 4p3qA-3zzuA:
undetectable		 4p3qA-3zzuA:
13.70
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 ASP A1033
LEU A1034
ARG A1470
THR A1578
 None
 1.46A 4p3qA-4aygA:
undetectable		 4p3qA-4aygA:
9.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 ASP B1871
LEU B1873
ARG B1763
THR B1802
 None
 1.38A 4p3qA-4bedB:
undetectable		 4p3qA-4bedB:
7.75
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.
4dfc TRANSCRIPTION-REPAIR
-COUPLING FACTOR
UVRABC SYSTEM
PROTEIN A

(Escherichia
coli;
Escherichia
coli) 		PF14814
(UB2H)
no annotation 		4 LEU A 168
ARG A 193
ARG B 176
THR B 223
 None
 1.22A 4p3qA-4dfcA:
undetectable		 4p3qA-4dfcA:
18.87
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.
4ha6 PYRIDOXINE 4-OXIDASE

(Mesorhizobium
loti) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ASP A 410
LEU A 405
ARG A  87
THR A 382
 None
 1.37A 4p3qA-4ha6A:
undetectable		 4p3qA-4ha6A:
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.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		4 ASP A 545
LEU A 819
ARG A 827
THR A 908
 None
 1.30A 4p3qA-4k0eA:
undetectable		 4p3qA-4k0eA:
8.94
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.
4kpu ELECTRON TRANSFER
FLAVOPROTEIN ALPHA
SUBUNIT
ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA/BETA-SUBUNIT

(Acidaminococcus
fermentans;
Acidaminococcus
fermentans) 		PF00766
(ETF_alpha)
PF01012
(ETF)
PF01012
(ETF) 		4 ASP A 114
LEU A 115
ARG A 122
THR B 142
 None
None
CL  A 402 ( 4.8A)
None
 1.44A 4p3qA-4kpuA:
undetectable		 4p3qA-4kpuA:
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.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF05994
(FragX_IP)
PF07159
(DUF1394) 		4 ASP A 591
LEU A 590
ARG A 581
THR A 491
 None
 1.25A 4p3qA-4n78A:
undetectable		 4p3qA-4n78A:
8.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wj3 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Pseudomonas
aeruginosa;
Pseudomonas
aeruginosa) 		PF01425
(Amidase)
PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		4 LEU B  48
ARG B  78
ARG A 321
THR A 104
 None
 1.33A 4p3qA-4wj3B:
undetectable		 4p3qA-4wj3B:
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.
4ww7 EKC/KEOPS COMPLEX
SUBUNIT BUD32

(Saccharomyces
cerevisiae) 		PF06293
(Kdo) 		4 ASP A 161
LEU A 185
ARG A  54
THR A 163
 None
 1.49A 4p3qA-4ww7A:
undetectable		 4p3qA-4ww7A:
21.96
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.
4yf1 LMO0812 PROTEIN

(Listeria
monocytogenes) 		PF13328
(HD_4) 		4 ASP A 116
LEU A 115
ARG A 172
THR A  21
 None
 1.19A 4p3qA-4yf1A:
undetectable		 4p3qA-4yf1A:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		4 ASP A1218
LEU A1217
ARG A 752
THR A1170
 None
 1.45A 4p3qA-4zhjA:
undetectable		 4p3qA-4zhjA:
7.43
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.
5fdn PHOSPHOENOLPYRUVATE
CARBOXYLASE 3

(Arabidopsis
thaliana) 		PF00311
(PEPcase) 		4 LEU A 683
ARG A 118
ARG A 690
THR A 247
 None
 1.42A 4p3qA-5fdnA:
undetectable		 4p3qA-5fdnA:
10.22
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.
5h5m ALPHA-CATENIN-LIKE
PROTEIN HMP-1

(Caenorhabditis
elegans) 		PF01044
(Vinculin) 		4 ASP A 390
LEU A 389
ARG A 320
THR A 393
 None
 1.38A 4p3qA-5h5mA:
undetectable		 4p3qA-5h5mA:
20.71
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.
5hke BILE SALT HYDROLASE

(Lactobacillus
salivarius) 		PF02275
(CBAH) 		4 ASP A  21
LEU A  20
ARG A  16
THR A 264
 None
None
OCS  A   2 ( 4.1A)
None
 1.39A 4p3qA-5hkeA:
undetectable		 4p3qA-5hkeA:
20.18
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.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		4 ASP A 234
LEU A 230
ARG A 218
THR A 267
 None
 1.37A 4p3qA-5hlbA:
undetectable		 4p3qA-5hlbA:
11.57
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.
5iv8 LPS BIOSYNTHESIS
PROTEIN

(Klebsiella
pneumoniae) 		PF04453
(OstA_C) 		4 ASP A 746
ARG A 381
ARG A 309
THR A 236
 None
 1.49A 4p3qA-5iv8A:
undetectable		 4p3qA-5iv8A:
13.99
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.
5ndl CRH-LIKE PROTEIN

(Aspergillus
fumigatus) 		no annotation 4 ASP A 116
LEU A 117
ARG A 203
THR A 198
 None
None
NAG  A 303 ( 4.0A)
None
 1.42A 4p3qA-5ndlA:
undetectable		 4p3qA-5ndlA:
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.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 4 ASP A 685
LEU A 686
ARG A1132
THR A1255
 None
 1.47A 4p3qA-5ngyA:
undetectable		 4p3qA-5ngyA:
7.42
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.
5nv8 EF-P ARGININE 32
RHAMNOSYL-TRANSFERAS
E

(Pseudomonas
putida) 		PF10093
(DUF2331) 		4 ASP A 364
LEU A 151
ARG A  26
THR A 367
 None
 1.32A 4p3qA-5nv8A:
undetectable		 4p3qA-5nv8A:
16.89
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.
5ol2 ELECTRON TRANSFER
FLAVOPROTEIN LARGE
SUBUNIT
ELECTRON TRANSFER
FLAVOPROTEIN SMALL
SUBUNIT

(Clostridioides
difficile;
Clostridioides
difficile) 		no annotation
no annotation 		4 ASP A 103
LEU A 104
ARG A 111
THR B 146
 None
None
CA  A 402 ( 4.0A)
None
 1.33A 4p3qA-5ol2A:
undetectable		 4p3qA-5ol2A:
17.82
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.
5u1w P2X PURINOCEPTOR

(Ailuropoda
melanoleuca) 		PF00864
(P2X_receptor) 		4 ASP A 121
ARG A 307
ARG A 294
THR A 127
 None
 1.47A 4p3qA-5u1wA:
undetectable		 4p3qA-5u1wA:
18.40
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.
5uen ADENOSINE RECEPTOR
A1,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A1

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		4 ASP A 104
LEU A 107
ARG A 114
THR A  44
 None
 1.46A 4p3qA-5uenA:
undetectable		 4p3qA-5uenA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xh9 EXTRACELLULAR
INVERTASE

(Aspergillus
kawachii) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 ASP A 374
LEU A 375
ARG A 525
THR A 390
 None
 1.45A 4p3qA-5xh9A:
undetectable		 4p3qA-5xh9A:
13.10
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.
5xxi CYTOCHROME P450 2C9

(Homo sapiens) 		no annotation 4 ASP A 360
LEU A 361
ARG A 307
THR A 392
 None
 1.47A 4p3qA-5xxiA:
undetectable		 4p3qA-5xxiA:
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.
5zu5 ALGINATE LYASE

(Vibrio
splendidus) 		no annotation 4 ASP A 473
LEU A 474
ARG A 280
THR A 345
 None
 1.32A 4p3qA-5zu5A:
undetectable		 4p3qA-5zu5A:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 4 ASP A  28
LEU A  29
ARG A  61
THR A 111
 MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.72A 4p3qA-6cxmA:
21.9		 4p3qA-6cxmA:
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.
6dip NOCTURNIN

(Homo sapiens) 		no annotation 4 ASP A 234
LEU A 155
ARG A 367
ARG A 290
 None
 1.44A 4p3qA-6dipA:
undetectable		 4p3qA-6dipA:
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.
6e4e -

(-) 		no annotation 4 ASP A  27
LEU A  28
ARG A  57
THR A 111
 MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.3A)
 0.45A 4p3qA-6e4eA:
25.9		 4p3qA-6e4eA:
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.
6eom MUTT/NUDIX FAMILY
PROTEIN

(Caldithrix
abyssi) 		no annotation 4 ASP A 111
LEU A 113
ARG A 453
ARG A  34
 None
 1.44A 4p3qA-6eomA:
undetectable		 4p3qA-6eomA:
undetectable