SIMILAR PATTERNS OF AMINO ACIDS FOR 3DLC_A_SAMA220_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.
1brt BROMOPEROXIDASE A2

(Kitasatospora
aureofaciens) 		PF00561
(Abhydrolase_1) 		5 PHE A 121
TYR A  56
GLY A 102
GLY A 100
SER A 124
 None
 1.29A 3dlcA-1brtA:
1.9		 3dlcA-1brtA:
19.73
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.
1exb KV BETA2 PROTEIN

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		5 PHE A  60
TYR A 270
GLY A  62
HIS A  71
ARG A 264
 None
None
None
None
NDP  A1000 (-2.9A)
 1.26A 3dlcA-1exbA:
undetectable		 3dlcA-1exbA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase) 		5 GLY A 302
GLY A 328
SER A 298
ASP A  53
HIS A 242
 None
None
None
CA  A 604 ( 3.4A)
ALS  A  91 (-3.7A)
 1.26A 3dlcA-1fsuA:
undetectable		 3dlcA-1fsuA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h54 MALTOSE
PHOSPHORYLASE

(Lactobacillus
brevis) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 GLY A  32
GLY A  37
SER A 149
VAL A 143
TRP A 301
 None
 1.38A 3dlcA-1h54A:
undetectable		 3dlcA-1h54A:
15.61
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.
1hcu ALPHA-1,2-MANNOSIDAS
E

(Trichoderma
reesei) 		PF01532
(Glyco_hydro_47) 		5 GLY A 313
GLY A 332
SER A 338
HIS A 307
SER A 397
 None
 1.12A 3dlcA-1hcuA:
undetectable		 3dlcA-1hcuA:
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.
1iy8 LEVODIONE REDUCTASE

(Leifsonia
aquatica) 		PF13561
(adh_short_C2) 		5 GLY A  20
GLY A  22
SER A  46
ASP A  72
VAL A  73
 NAD  A1268 (-3.4A)
NAD  A1268 ( 4.1A)
None
NAD  A1268 (-3.5A)
NAD  A1268 (-3.5A)
 0.86A 3dlcA-1iy8A:
6.1		 3dlcA-1iy8A:
24.82
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.
1j6u UDP-N-ACETYLMURAMATE
-ALANINE LIGASE MURC

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 PHE A 134
GLY A  12
GLY A 136
PHE A  93
ARG A  37
 None
 1.21A 3dlcA-1j6uA:
4.7		 3dlcA-1j6uA:
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.
1n7j PHENYLETHANOLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		6 TYR A  85
GLY A  79
GLY A  81
ASP A 158
VAL A 159
HIS A 160
 SAH  A2002 (-4.6A)
SAH  A2002 (-4.0A)
SAH  A2002 (-3.0A)
SAH  A2002 (-3.6A)
SAH  A2002 (-3.5A)
SAH  A2002 (-4.1A)
 1.13A 3dlcA-1n7jA:
13.2		 3dlcA-1n7jA:
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.
1nkv HYPOTHETICAL PROTEIN
YJHP

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 TYR A  25
GLY A  44
GLY A  46
SER A  68
ASP A  94
 None
 0.69A 3dlcA-1nkvA:
14.1		 3dlcA-1nkvA:
20.52
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.
1pk0 CALMODULIN-SENSITIVE
ADENYLATE CYCLASE

(Bacillus
anthracis) 		PF03497
(Anthrax_toxA) 		5 GLY A 578
GLY A 547
ASP A 491
VAL A 575
ARG A 540
 EMA  A1999 (-3.4A)
EMA  A1999 (-3.4A)
YB  A 901 (-2.5A)
None
None
 1.34A 3dlcA-1pk0A:
undetectable		 3dlcA-1pk0A:
19.17
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.
1r8o KUNITZ TRYPSIN
INHIBITOR
KUNITZ TRYPSIN
INHIBITOR

(Copaifera
langsdorffii;
Copaifera
langsdorffii) 		PF00197
(Kunitz_legume)
PF00197
(Kunitz_legume) 		5 TYR B 129
GLY A  75
GLY B 114
SER A  62
ASP A  13
 None
 1.14A 3dlcA-1r8oB:
undetectable		 3dlcA-1r8oB:
13.89
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.
1ry6 INTERNAL KINESIN

(Plasmodium
falciparum) 		PF00225
(Kinesin) 		5 TYR A 131
GLY A 230
GLY A  83
ASP A 294
SER A 228
 None
 1.28A 3dlcA-1ry6A:
undetectable		 3dlcA-1ry6A:
20.67
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.
1t9h PROBABLE GTPASE ENGC

(Bacillus
subtilis) 		PF03193
(RsgA_GTPase)
PF16745
(RsgA_N) 		5 GLY A 176
GLY A 174
SER A  86
VAL A  82
SER A 179
 None
 1.03A 3dlcA-1t9hA:
undetectable		 3dlcA-1t9hA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tdj BIOSYNTHETIC
THREONINE DEAMINASE

(Escherichia
coli) 		PF00291
(PALP)
PF00585
(Thr_dehydrat_C) 		5 PHE A  61
TYR A  16
GLY A  65
GLY A 165
VAL A  94
 PLP  A 962 (-4.6A)
None
None
None
None
 1.32A 3dlcA-1tdjA:
3.3		 3dlcA-1tdjA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ukw ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 TYR A 330
GLY A 279
GLY A 104
ASP A 385
ARG A 326
 None
 1.33A 3dlcA-1ukwA:
undetectable		 3dlcA-1ukwA:
20.90
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.
1ukw ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 TYR A 330
GLY A 279
GLY A 104
VAL A 386
ARG A 326
 None
 1.17A 3dlcA-1ukwA:
undetectable		 3dlcA-1ukwA:
20.90
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.
1vcj NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		5 GLY A 407
GLY A 376
ASP A 432
VAL A 430
HIS A 439
 None
 1.35A 3dlcA-1vcjA:
undetectable		 3dlcA-1vcjA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wdw TRYPTOPHAN SYNTHASE
BETA CHAIN 1

(Pyrococcus
furiosus) 		PF00291
(PALP) 		5 TYR B 319
GLY B 228
GLY B 305
HIS B 110
SER B 230
 None
PLP  B 400 (-4.0A)
None
None
PLP  B 400 (-2.7A)
 1.23A 3dlcA-1wdwB:
2.3		 3dlcA-1wdwB:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		6 TYR A  25
GLY A  63
GLY A  65
ASP A 142
VAL A 143
HIS A 144
 SAH  A4001 (-4.4A)
SAH  A4001 (-3.9A)
SAH  A4001 (-3.0A)
SAH  A4001 (-3.7A)
SAH  A4001 (-3.7A)
SAH  A4001 (-4.3A)
 1.38A 3dlcA-2a14A:
13.5		 3dlcA-2a14A:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		5 TYR A  69
GLY A  63
GLY A  65
ASP A 142
HIS A 144
 SAH  A4001 (-4.4A)
SAH  A4001 (-3.9A)
SAH  A4001 (-3.0A)
SAH  A4001 (-3.7A)
SAH  A4001 (-4.3A)
 0.98A 3dlcA-2a14A:
13.5		 3dlcA-2a14A:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bdq COPPER HOMEOSTASIS
PROTEIN CUTC

(Streptococcus
agalactiae) 		PF03932
(CutC) 		5 TYR A 192
ASP A  91
VAL A  57
HIS A  51
ARG A   4
 None
 1.40A 3dlcA-2bdqA:
undetectable		 3dlcA-2bdqA:
23.87
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.
2fuq HEPARINASE II
PROTEIN

(Pedobacter
heparinus) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		5 GLY A 435
GLY A 431
SER A 428
ASP A 307
SER A 438
 None
 1.30A 3dlcA-2fuqA:
undetectable		 3dlcA-2fuqA:
16.34
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.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE

(Mus musculus) 		PF01234
(NNMT_PNMT_TEMT) 		5 TYR A  26
GLY A  64
GLY A  66
ASP A 143
VAL A 144
 SAH  A4001 (-4.4A)
SAH  A4001 (-4.1A)
SAH  A4001 (-3.2A)
SAH  A4001 (-4.0A)
SAH  A4001 (-3.6A)
 1.33A 3dlcA-2i62A:
13.8		 3dlcA-2i62A:
23.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iip NICOTINAMIDE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		5 GLY A  63
GLY A  65
SER A  87
ASP A 142
VAL A 143
 SAH  A4001 (-4.0A)
SAH  A4001 (-3.0A)
SAH  A4001 (-4.7A)
SAH  A4001 (-3.7A)
SAH  A4001 (-3.7A)
 0.63A 3dlcA-2iipA:
13.9		 3dlcA-2iipA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iip NICOTINAMIDE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		5 TYR A  25
GLY A  63
GLY A  65
ASP A 142
VAL A 143
 SAH  A4001 (-4.4A)
SAH  A4001 (-4.0A)
SAH  A4001 (-3.0A)
SAH  A4001 (-3.7A)
SAH  A4001 (-3.7A)
 1.36A 3dlcA-2iipA:
13.9		 3dlcA-2iipA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iip NICOTINAMIDE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		5 TYR A  69
GLY A  63
GLY A  65
SER A  87
ASP A 142
 SAH  A4001 (-4.6A)
SAH  A4001 (-4.0A)
SAH  A4001 (-3.0A)
SAH  A4001 (-4.7A)
SAH  A4001 (-3.7A)
 0.76A 3dlcA-2iipA:
13.9		 3dlcA-2iipA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jfd FATTY ACID SYNTHASE

(Homo sapiens) 		PF00698
(Acyl_transf_1)
PF16197
(KAsynt_C_assoc) 		5 PHE A 553
GLY A 498
GLY A 500
SER A 552
SER A 581
 None
 1.40A 3dlcA-2jfdA:
undetectable		 3dlcA-2jfdA:
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.
2nly DIVERGENT
POLYSACCHARIDE
DEACETYLASE
HYPOTHETICAL PROTEIN

(Bacillus
halodurans) 		PF04748
(Polysacc_deac_2) 		5 PHE A 187
GLY A 217
ASP A  40
HIS A 133
SER A 162
 None
None
ZN  A 300 (-2.7A)
ZN  A 300 (-3.2A)
None
 1.20A 3dlcA-2nlyA:
undetectable		 3dlcA-2nlyA:
23.37
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.
2ogj DIHYDROOROTASE

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		5 PHE A 272
GLY A 366
PHE A 270
SER A 271
VAL A 301
 None
 1.36A 3dlcA-2ogjA:
undetectable		 3dlcA-2ogjA:
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.
2pw6 UNCHARACTERIZED
PROTEIN YGID

(Escherichia
coli) 		PF02900
(LigB) 		5 TYR A 235
GLY A  21
GLY A 173
SER A 123
SER A 267
 None
 1.30A 3dlcA-2pw6A:
undetectable		 3dlcA-2pw6A:
24.56
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.
2qjc DIADENOSINE
TETRAPHOSPHATASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00149
(Metallophos) 		5 TYR A 227
GLY A  29
GLY A  60
PHE A  64
VAL A  67
 None
 1.20A 3dlcA-2qjcA:
undetectable		 3dlcA-2qjcA:
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.
2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 PHE A 265
GLY A 376
GLY A  94
HIS A 337
SER A 253
 None
None
None
CER  A 960 ( 4.2A)
None
 1.37A 3dlcA-2qo3A:
undetectable		 3dlcA-2qo3A:
11.75
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.
2qvw GLP_546_48378_50642

(Giardia
intestinalis) 		PF00636
(Ribonuclease_3)
PF02170
(PAZ) 		5 TYR A 577
GLY A 508
GLY A 536
ASP A 528
SER A 512
 None
 1.19A 3dlcA-2qvwA:
undetectable		 3dlcA-2qvwA:
13.77
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.
2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE

(Schistosoma
mansoni) 		PF00462
(Glutaredoxin)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 258
GLY A 432
SER A 117
ASP A 137
ARG A 414
 FAD  A1594 (-3.3A)
FAD  A1594 (-3.2A)
FAD  A1594 (-3.2A)
FAD  A1594 (-4.1A)
None
 1.40A 3dlcA-2v6oA:
2.2		 3dlcA-2v6oA:
17.18
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 GLY A 498
GLY A 500
PHE A 553
SER A 552
SER A 581
 None
 1.39A 3dlcA-2vz9A:
undetectable		 3dlcA-2vz9A:
6.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wan PULLULANASE

(Bacillus
acidopullulyticus) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 SER A 798
ASP A 442
HIS A 439
SER A 792
TRP A 507
 GOL  A1926 (-2.7A)
None
None
None
None
 1.35A 3dlcA-2wanA:
undetectable		 3dlcA-2wanA:
11.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 PHE A 760
GLY A 756
GLY A 759
PHE A 685
ASP A 887
 None
 1.40A 3dlcA-2y8nA:
undetectable		 3dlcA-2y8nA:
13.03
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.
3a2k TRNA(ILE)-LYSIDINE
SYNTHASE

(Geobacillus
kaustophilus) 		PF01171
(ATP_bind_3)
PF09179
(TilS)
PF11734
(TilS_C) 		5 GLY A 151
GLY A 148
VAL A 154
HIS A  12
SER A 225
 None
A  C  38 ( 4.1A)
None
None
None
 1.34A 3dlcA-3a2kA:
undetectable		 3dlcA-3a2kA:
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.
3b4w ALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		5 TYR A 444
GLY A 414
GLY A 437
VAL A 412
SER A 458
 None
 1.32A 3dlcA-3b4wA:
undetectable		 3dlcA-3b4wA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		5 TYR A  19
GLY A  40
GLY A  42
SER A  62
ASP A  86
 None
 0.53A 3dlcA-3d2lA:
16.9		 3dlcA-3d2lA:
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.
3dbk ELASTASE

(Pseudomonas
aeruginosa) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 PHE A  56
PHE A  54
ASP A  41
VAL A 104
HIS A 105
 None
 1.17A 3dlcA-3dbkA:
undetectable		 3dlcA-3dbkA:
21.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dlc PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE

(Methanococcus
maripaludis) 		PF08241
(Methyltransf_11) 		12 PHE A   8
TYR A  28
GLY A  50
GLY A  52
PHE A  73
SER A  74
ASP A 100
VAL A 101
HIS A 102
ARG A 117
SER A 119
TRP A 123
 SAM  A 220 ( 3.7A)
SAM  A 220 (-4.5A)
SAM  A 220 (-3.5A)
SAM  A 220 (-3.2A)
SAM  A 220 ( 3.4A)
GOL  A 222 ( 3.2A)
SAM  A 220 (-3.2A)
SAM  A 220 ( 4.2A)
SAM  A 220 ( 4.7A)
SAM  A 220 (-4.0A)
SAM  A 220 (-2.8A)
None
 0.00A 3dlcA-3dlcA:
42.6		 3dlcA-3dlcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dlc PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE

(Methanococcus
maripaludis) 		PF08241
(Methyltransf_11) 		5 PHE A 122
TYR A  28
GLY A  50
VAL A 101
HIS A 102
 None
SAM  A 220 (-4.5A)
SAM  A 220 (-3.5A)
SAM  A 220 ( 4.2A)
SAM  A 220 ( 4.7A)
 1.29A 3dlcA-3dlcA:
42.6		 3dlcA-3dlcA:
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.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633

(Methanosarcina
mazei) 		PF13649
(Methyltransf_25) 		5 TYR A  30
GLY A  50
GLY A  52
ASP A  98
SER A 116
 None
 1.10A 3dlcA-3dtnA:
15.6		 3dlcA-3dtnA:
27.09
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.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633

(Methanosarcina
mazei) 		PF13649
(Methyltransf_25) 		5 TYR A  30
GLY A  50
GLY A  52
SER A  75
SER A 116
 None
 0.84A 3dlcA-3dtnA:
15.6		 3dlcA-3dtnA:
27.09
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.
3e02 UNCHARACTERIZED
PROTEIN DUF849

(Paraburkholderia
xenovorans) 		PF05853
(BKACE) 		5 PHE A 118
GLY A  89
GLY A  91
HIS A  49
SER A  16
 EDO  A 313 (-4.9A)
None
EDO  A 317 ( 3.9A)
ZN  A 311 (-3.3A)
None
 1.15A 3dlcA-3e02A:
undetectable		 3dlcA-3e02A:
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.
3e73 LANC-LIKE PROTEIN 1

(Homo sapiens) 		PF05147
(LANC_like) 		5 PHE A 373
GLY A  67
GLY A  64
SER A 371
HIS A  74
 None
 1.29A 3dlcA-3e73A:
undetectable		 3dlcA-3e73A:
18.75
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.
3f7o SERINE PROTEASE

(Purpureocillium
lilacinum) 		PF00082
(Peptidase_S8) 		5 GLY A 225
GLY A 208
SER A 196
ASP A 165
SER A 227
 None
 1.38A 3dlcA-3f7oA:
undetectable		 3dlcA-3f7oA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f8r THIOREDOXIN
REDUCTASE (TRXB-3)

(Sulfolobus
solfataricus) 		PF07992
(Pyr_redox_2) 		5 GLY A 162
GLY A 161
SER A 165
VAL A 196
ARG A 186
 NAP  A4001 ( 4.6A)
NAP  A4001 ( 4.1A)
NAP  A4001 (-2.9A)
None
NAP  A4001 (-3.3A)
 1.40A 3dlcA-3f8rA:
3.6		 3dlcA-3f8rA:
22.91
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.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF13847
(Methyltransf_31) 		5 PHE A   4
TYR A  21
GLY A  44
GLY A  46
SER A  70
 SAH  A 308 ( 4.3A)
SAH  A 308 (-4.6A)
SAH  A 308 (-3.6A)
SAH  A 308 (-3.6A)
SAH  A 308 (-4.8A)
 1.32A 3dlcA-3g5tA:
15.2		 3dlcA-3g5tA:
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.
3goc ENDONUCLEASE V

(Streptomyces
avermitilis) 		PF04493
(Endonuclease_5) 		5 TYR A  84
GLY A  87
PHE A 124
VAL A  20
ARG A  92
 None
CL  A 303 (-3.4A)
None
None
None
 1.21A 3dlcA-3gocA:
undetectable		 3dlcA-3gocA:
21.46
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.
3gzy BIPHENYL DIOXYGENASE
SUBUNIT ALPHA

(Comamonas
testosteroni) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 GLY A 271
GLY A 438
SER A 229
VAL A 324
SER A 267
 None
 1.01A 3dlcA-3gzyA:
undetectable		 3dlcA-3gzyA:
18.56
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.
3h2i ESTERASE

(Xanthomonas
oryzae) 		PF03583
(LIP) 		5 TYR A 299
GLY A 221
ASP A 336
VAL A 339
HIS A 377
 None
 1.37A 3dlcA-3h2iA:
undetectable		 3dlcA-3h2iA:
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.
3h7f SERINE
HYDROXYMETHYLTRANSFE
RASE 1

(Mycobacterium
tuberculosis) 		PF00464
(SHMT) 		5 GLY A 235
GLY A  95
SER A 222
VAL A  90
ARG A 233
 None
LLP  A 227 ( 3.2A)
None
None
None
 1.01A 3dlcA-3h7fA:
undetectable		 3dlcA-3h7fA:
16.26
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.
3hnr PROBABLE
METHYLTRANSFERASE
BT9727_4108

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		5 TYR A  34
GLY A  53
GLY A  55
SER A  76
ASP A  97
 None
 1.23A 3dlcA-3hnrA:
14.0		 3dlcA-3hnrA:
23.21
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.
3iau THREONINE DEAMINASE

(Solanum
lycopersicum) 		PF00291
(PALP) 		5 PHE A  90
TYR A  45
GLY A  94
GLY A 194
VAL A 123
 LLP  A  91 ( 3.9A)
None
LLP  A  91 ( 4.5A)
None
None
 1.28A 3dlcA-3iauA:
2.2		 3dlcA-3iauA:
22.83
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.
3im0 VAL-1

(Paramecium
bursaria
Chlorella virus
CVK2) 		no annotation 5 TYR A 106
GLY A  49
GLY A 222
ASP A  45
VAL A  56
 BDP  A 301 (-4.0A)
None
None
None
None
 1.40A 3dlcA-3im0A:
undetectable		 3dlcA-3im0A:
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.
3nsj PERFORIN-1

(Mus musculus) 		PF00168
(C2)
PF01823
(MACPF) 		5 TYR A 366
GLY A 148
VAL A 116
ARG A 370
SER A 151
 None
 1.19A 3dlcA-3nsjA:
undetectable		 3dlcA-3nsjA:
16.85
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.
3nwm PEPTIDE/BETA-2MICROG
LOBULIN/MHC CLASS I
H-2KD CHIMERIC
PROTEIN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 TYR A  85
GLY A  10
GLY A  11
VAL A   7
TRP A 147
 None
 1.36A 3dlcA-3nwmA:
undetectable		 3dlcA-3nwmA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		5 PHE A 295
GLY A 427
GLY A 431
PHE A 391
HIS A 419
 None
None
None
HEA  A   2 (-4.5A)
HEA  A   2 (-3.2A)
 1.30A 3dlcA-3omnA:
undetectable		 3dlcA-3omnA:
16.57
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.
3u1j SERINE PROTEASE NS3

(Dengue virus) 		PF00949
(Peptidase_S7) 		5 GLY B 164
GLY B 124
ASP B  75
HIS B  51
SER B 163
 None
 1.22A 3dlcA-3u1jB:
undetectable		 3dlcA-3u1jB:
18.45
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.
3vns NRPS ADENYLATION
PROTEIN CYTC1

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A  89
GLY A  65
ASP A  16
VAL A  18
ARG A  63
 None
 1.34A 3dlcA-3vnsA:
undetectable		 3dlcA-3vnsA:
17.71
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.
3wp5 CDBFV

(Neocallimastix
patriciarum) 		PF00457
(Glyco_hydro_11) 		5 TYR A 141
GLY A  98
ASP A 215
VAL A  85
ARG A 166
 None
 1.32A 3dlcA-3wp5A:
undetectable		 3dlcA-3wp5A:
19.51
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.
4c23 L-FUCULOSE KINASE
FUCK

(Streptococcus
pneumoniae) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 400
GLY A 402
ASP A 233
HIS A 232
SER A 251
 None
 1.00A 3dlcA-4c23A:
undetectable		 3dlcA-4c23A:
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.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		5 GLY A 406
GLY A 375
ASP A 431
VAL A 429
HIS A 438
 None
 1.34A 3dlcA-4cpnA:
undetectable		 3dlcA-4cpnA:
20.26
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.
4fc7 PEROXISOMAL
2,4-DIENOYL-COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 GLY A  35
GLY A  37
SER A  61
ASP A  86
VAL A  87
 NAP  A 401 (-3.5A)
NAP  A 401 ( 4.9A)
NAP  A 401 (-4.4A)
NAP  A 401 (-3.2A)
NAP  A 401 (-3.6A)
 0.83A 3dlcA-4fc7A:
6.1		 3dlcA-4fc7A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gvf BETA-HEXOSAMINIDASE

(Salmonella
enterica) 		PF00933
(Glyco_hydro_3) 		5 GLY A 124
GLY A 169
ASP A 138
ARG A 133
SER A 134
 None
None
None
NDG  A 401 ( 2.8A)
None
 1.08A 3dlcA-4gvfA:
undetectable		 3dlcA-4gvfA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h7u PYRANOSE
DEHYDROGENASE

(Leucoagaricus
meleagris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 359
GLY A  61
SER A  64
VAL A 107
HIS A 556
 None
None
None
FED  A 801 (-3.8A)
FED  A 801 (-3.6A)
 1.11A 3dlcA-4h7uA:
2.8		 3dlcA-4h7uA:
17.27
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.
4hh5 PUTATIVE TYPE VI
SECRETION PROTEIN

(Escherichia
coli) 		PF02861
(Clp_N) 		5 GLY A  53
GLY A  51
VAL A 116
HIS A 117
SER A 156
 BR  A 201 (-3.4A)
BR  A 201 ( 4.2A)
None
None
None
 1.21A 3dlcA-4hh5A:
undetectable		 3dlcA-4hh5A:
19.03
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.
4iq4 NON-HAEM
BROMOPEROXIDASE
BPO-A2, MATRIX
PROTEIN 1

(Kitasatospora
aureofaciens;
Influenza A
virus) 		PF00561
(Abhydrolase_1)
PF00598
(Flu_M1) 		5 PHE A 121
TYR A  56
GLY A 102
GLY A 100
SER A 124
 None
 1.18A 3dlcA-4iq4A:
undetectable		 3dlcA-4iq4A:
18.12
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.
4j3z MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Jannaschia sp.
CCS1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  93
GLY A 285
PHE A  95
VAL A  58
HIS A  62
 None
 1.30A 3dlcA-4j3zA:
undetectable		 3dlcA-4j3zA:
17.27
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 GLY A 228
GLY A 230
SER A 252
ASP A 277
ARG A 294
 SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.4A)
None
 0.81A 3dlcA-4kriA:
18.0		 3dlcA-4kriA:
18.63
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.
4ln2 SORBIN AND SH3
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00018
(SH3_1) 		5 GLY A 916
PHE A 878
SER A 887
VAL A 923
ARG A 898
 None
 1.33A 3dlcA-4ln2A:
undetectable		 3dlcA-4ln2A:
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.
4nec PUTATIVE
SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
lasaliensis) 		PF13649
(Methyltransf_25) 		5 PHE A   5
GLY A  47
GLY A  49
SER A  70
ASP A  94
 SAH  A 401 ( 3.5A)
SAH  A 401 (-3.9A)
SAH  A 401 (-3.6A)
SAH  A 401 ( 4.8A)
SAH  A 401 ( 3.6A)
 0.41A 3dlcA-4necA:
16.8		 3dlcA-4necA:
20.30
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.
4p08 COCAINE ESTERASE

(Rhodococcus sp.
MB1) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 GLY A 120
PHE A 261
SER A 143
HIS A 287
ARG A  41
 None
 1.04A 3dlcA-4p08A:
undetectable		 3dlcA-4p08A:
17.58
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.
4rgw TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 1

(Homo sapiens) 		PF12157
(DUF3591) 		5 PHE A 751
GLY A 804
PHE A1091
ASP A1092
HIS A 756
 None
 1.40A 3dlcA-4rgwA:
undetectable		 3dlcA-4rgwA:
16.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uzs BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 GLY A 392
GLY A  47
ASP A 387
VAL A 341
ARG A  19
 None
 1.36A 3dlcA-4uzsA:
undetectable		 3dlcA-4uzsA:
15.63
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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		5 GLY A 111
GLY A 113
PHE A 136
ASP A 163
VAL A 164
 SAH  A 301 (-3.2A)
SAH  A 301 (-2.9A)
SAH  A 301 (-3.3A)
SAH  A 301 (-2.7A)
SAH  A 301 (-4.0A)
 0.80A 3dlcA-5ccxA:
14.9		 3dlcA-5ccxA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dly PLANTAZOLICIN
METHYLTRANSFERASE
BAML

(Bacillus
velezensis) 		PF13847
(Methyltransf_31) 		5 PHE A  21
GLY A  68
GLY A  70
SER A  93
ARG A  42
 SAH  A 301 ( 4.1A)
SAH  A 301 (-3.6A)
SAH  A 301 ( 3.7A)
SAH  A 301 (-4.8A)
None
 1.34A 3dlcA-5dlyA:
16.3		 3dlcA-5dlyA:
23.34
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.
5ecu CELLULASE

(Caldicellulosiruptor
saccharolyticus) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		5 GLY A 229
ASP A 147
HIS A 149
ARG A 236
SER A 234
 None
None
None
EDO  A 617 (-3.2A)
None
 1.39A 3dlcA-5ecuA:
undetectable		 3dlcA-5ecuA:
18.17
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.
5f8e METHYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF13847
(Methyltransf_31) 		5 GLY A 179
GLY A 181
PHE A 203
SER A 204
ASP A 229
 SAH  A 400 (-4.0A)
SAH  A 400 (-3.4A)
SAH  A 400 (-3.6A)
None
SAH  A 400 (-4.1A)
 0.53A 3dlcA-5f8eA:
17.3		 3dlcA-5f8eA:
21.01
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.
5fur TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 1

(Homo sapiens) 		PF12157
(DUF3591) 		5 PHE G 751
GLY G 804
PHE G1091
ASP G1092
HIS G 756
 None
 1.39A 3dlcA-5furG:
undetectable		 3dlcA-5furG:
8.50
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.
5g56 CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase)
PF03422
(CBM_6) 		5 TYR A 443
GLY A 493
GLY A 491
ASP A 293
TRP A 258
 None
 1.27A 3dlcA-5g56A:
undetectable		 3dlcA-5g56A:
13.51
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.
5h35 MEMBRANE PROTEIN
TRIC

(Sulfolobus
solfataricus) 		PF03458
(UPF0126) 		5 PHE C  16
GLY C  20
GLY C  38
ASP C 138
SER C  19
 None
 1.36A 3dlcA-5h35C:
undetectable		 3dlcA-5h35C:
24.90
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.
5kar ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3B

(Mus musculus) 		PF00149
(Metallophos) 		5 GLY A 302
GLY A 321
ASP A  65
HIS A  97
ARG A 323
 None
 1.35A 3dlcA-5karA:
undetectable		 3dlcA-5karA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kre LYSOPHOSPHOLIPASE-LI
KE PROTEIN 1

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		5 TYR A 135
GLY A 127
GLY A 121
PHE A 123
SER A 149
 None
None
None
None
NO3  A 302 (-4.1A)
 1.38A 3dlcA-5kreA:
undetectable		 3dlcA-5kreA:
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.
5m58 C-METHYLTRANSFERASE
COUO

(Streptomyces
rishiriensis) 		PF13649
(Methyltransf_25) 		5 TYR A  25
GLY A  49
SER A  72
ASP A  96
ARG A 116
 SAH  A 301 (-4.5A)
SAH  A 301 (-3.3A)
SAH  A 301 (-4.6A)
SAH  A 301 (-3.5A)
SAH  A 301 (-3.9A)
 0.78A 3dlcA-5m58A:
21.0		 3dlcA-5m58A:
22.82
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.
5mgz 8-DEMETHYLNOVOBIOCIC
ACID
C(8)-METHYLTRANSFERA
SE

(Streptomyces
niveus) 		PF13649
(Methyltransf_25) 		5 TYR A  25
GLY A  49
SER A  72
ASP A  96
ARG A 116
 SAH  A 301 (-4.5A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.6A)
SAH  A 301 (-3.5A)
SAH  A 301 ( 3.9A)
 0.77A 3dlcA-5mgzA:
20.8		 3dlcA-5mgzA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN2

(Saccharomyces
cerevisiae) 		PF01851
(PC_rep)
PF13646
(HEAT_2) 		5 TYR N 526
GLY N 732
PHE N 736
SER N 737
SER N 752
 None
 1.38A 3dlcA-5mpdN:
undetectable		 3dlcA-5mpdN:
13.41
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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		5 TYR A 347
GLY A 472
SER A 479
ASP A 544
HIS A 545
 None
None
None
ZN  A 902 ( 2.6A)
ZN  A 902 (-3.4A)
 1.23A 3dlcA-5mtzA:
undetectable		 3dlcA-5mtzA:
13.52
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.
5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 TYR A 630
GLY A 571
SER A 573
SER A 563
TRP A 579
 None
 1.28A 3dlcA-5myvA:
undetectable		 3dlcA-5myvA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nri D-ALANINE--D-ALANINE
LIGASE

(Burkholderia
pseudomallei) 		no annotation 5 GLY A  97
GLY A 101
PHE A 250
ASP A 251
SER A  93
 None
 1.07A 3dlcA-5nriA:
2.5		 3dlcA-5nriA:
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.
5uxn PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Pseudomonas
aeruginosa) 		no annotation 5 PHE A  73
GLY A 134
PHE A 113
SER A  72
HIS A 233
 None
 1.31A 3dlcA-5uxnA:
undetectable		 3dlcA-5uxnA:
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 GLY A  61
GLY A  63
PHE A  83
ASP A 107
VAL A 108
 SAH  A 701 (-3.4A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.4A)
SAH  A 701 (-3.2A)
SAH  A 701 (-3.6A)
 0.51A 3dlcA-5wp4A:
16.9		 3dlcA-5wp4A:
18.42
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 GLY A 290
GLY A 292
SER A 314
ASP A 338
ARG A 355
 SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.3A)
None
 0.98A 3dlcA-5wp4A:
16.9		 3dlcA-5wp4A:
18.42
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 5 GLY A  61
GLY A  63
PHE A  83
ASP A 107
VAL A 108
 SAH  A 502 (-3.4A)
SAH  A 502 (-3.5A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.2A)
SAH  A 502 (-3.6A)
 0.55A 3dlcA-5wp5A:
15.3		 3dlcA-5wp5A:
18.95
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.
5xbp 3NT OXYGENASE ALPHA
SUBUNIT

(Diaphorobacter
sp. DS2) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 TYR A 397
GLY A 405
GLY A 237
HIS A 206
SER A 249
 None
None
None
FE  A 501 (-2.9A)
None
 1.22A 3dlcA-5xbpA:
undetectable		 3dlcA-5xbpA:
18.57
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.
6egt GLYCOPROTEIN

(Rift Valley
fever
phlebovirus) 		no annotation 5 GLY A1058
SER A1061
ASP A1102
VAL A1027
SER A1075
 None
 1.26A 3dlcA-6egtA:
undetectable		 3dlcA-6egtA:
16.17
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.
6f5z 24-STEROL
C-METHYLTRANSFERASE

(Haloferax
volcanii) 		no annotation 5 PHE A   7
GLY A  46
GLY A  48
SER A  71
ASP A  93
 SAH  A 301 (-3.5A)
SAH  A 301 (-3.5A)
SAH  A 301 ( 3.7A)
None
SAH  A 301 (-3.8A)
 0.52A 3dlcA-6f5zA:
18.2		 3dlcA-6f5zA:
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.
6f72 MTVAO615

(Thermothelomyces
thermophila) 		no annotation 5 GLY A 280
GLY A 282
ASP A 249
HIS A 460
SER A 464
 None
 1.34A 3dlcA-6f72A:
undetectable		 3dlcA-6f72A:
undetectable