SIMILAR PATTERNS OF AMINO ACIDS FOR 2EIM_P_CHDP1525_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.
1a9x CARBAMOYL PHOSPHATE
SYNTHETASE (SMALL
CHAIN)

(Escherichia
coli) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain) 		4 HIS B1812
ASP B1862
THR B1808
HIS B1772
 CYG  B1769 ( 4.9A)
None
None
CYG  B1769 ( 4.9A)
 1.22A 2eimN-1a9xB:
undetectable
2eimP-1a9xB:
undetectable		 2eimN-1a9xB:
20.72
2eimP-1a9xB:
19.54
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.
1bqb PROTEIN (AUREOLYSIN)

(Staphylococcus
aureus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 THR A  77
TYR A  78
TRP A 117
HIS A 148
 None
None
None
ZN  A 350 (-3.3A)
 1.22A 2eimN-1bqbA:
0.3
2eimP-1bqbA:
0.1		 2eimN-1bqbA:
20.96
2eimP-1bqbA:
21.39
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.
1cpy SERINE
CARBOXYPEPTIDASE

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		4 ASP A 180
THR A 179
TYR A 316
HIS A 397
 None
 1.33A 2eimN-1cpyA:
0.6
2eimP-1cpyA:
0.0		 2eimN-1cpyA:
20.45
2eimP-1cpyA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1js4 ENDO/EXOCELLULASE E4

(Thermobifida
fusca) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 HIS A 108
ASP A 190
TYR A 192
HIS A 181
 None
 1.50A 2eimN-1js4A:
2.8
2eimP-1js4A:
1.6		 2eimN-1js4A:
22.63
2eimP-1js4A:
17.74
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.
1js4 ENDO/EXOCELLULASE E4

(Thermobifida
fusca) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 HIS A 377
THR A 427
TYR A 429
HIS A  59
 None
 1.40A 2eimN-1js4A:
2.8
2eimP-1js4A:
1.6		 2eimN-1js4A:
22.63
2eimP-1js4A:
17.74
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.
1kkc MANGANESE SUPEROXIDE
DISMUTASE

(Aspergillus
fumigatus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 HIS A  40
ASP A  26
TYR A  23
HIS A  44
 MN  A2001 (-3.3A)
None
None
None
 1.48A 2eimN-1kkcA:
0.3
2eimP-1kkcA:
2.4		 2eimN-1kkcA:
18.50
2eimP-1kkcA:
19.93
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.
1n81 PLASMODIUM
FALCIPARUM GAMETE
ANTIGEN 27/25

(Plasmodium
falciparum) 		PF09216
(Pfg27) 		4 ASP A 164
THR A 165
TYR A 168
HIS A  28
 None
 1.43A 2eimN-1n81A:
0.1
2eimP-1n81A:
1.6		 2eimN-1n81A:
14.40
2eimP-1n81A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.15A 2eimN-1nj1A:
0.0
2eimP-1nj1A:
undetectable		 2eimN-1nj1A:
20.07
2eimP-1nj1A:
18.34
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.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		4 HIS A 264
ASP A 206
THR A 207
TYR A 185
 None
 1.30A 2eimN-1nj8A:
0.0
2eimP-1nj8A:
undetectable		 2eimN-1nj8A:
20.61
2eimP-1nj8A:
17.96
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.
1snz ALDOSE 1-EPIMERASE

(Homo sapiens) 		PF01263
(Aldose_epim) 		4 HIS A 176
ASP A 287
TYR A 298
HIS A 107
 None
 1.23A 2eimN-1snzA:
undetectable
2eimP-1snzA:
undetectable		 2eimN-1snzA:
19.69
2eimP-1snzA:
22.06
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.
1xfd DIPEPTIDYL
AMINOPEPTIDASE-LIKE
PROTEIN 6

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ASP A 712
TYR A 716
TRP A 429
HIS A 431
 None
 1.07A 2eimN-1xfdA:
undetectable
2eimP-1xfdA:
undetectable		 2eimN-1xfdA:
19.95
2eimP-1xfdA:
15.42
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.
1ysj PROTEIN YXEP

(Bacillus
subtilis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 HIS A 158
ASP A 357
THR A 343
HIS A 100
 NI  A 381 (-3.4A)
None
None
NI  A 381 (-3.2A)
 1.34A 2eimN-1ysjA:
undetectable
2eimP-1ysjA:
0.2		 2eimN-1ysjA:
19.86
2eimP-1ysjA:
22.20
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.
2b61 HOMOSERINE
O-ACETYLTRANSFERASE

(Haemophilus
influenzae) 		PF00561
(Abhydrolase_1) 		4 ASP A  78
THR A  77
TYR A  80
TRP A  65
 None
 1.18A 2eimN-2b61A:
undetectable
2eimP-2b61A:
1.7		 2eimN-2b61A:
21.56
2eimP-2b61A:
22.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		4 HIS A 233
ASP A 300
THR A 301
TYR A 304
 None
 0.10A 2eimN-2eijA:
65.7
2eimP-2eijA:
2.1		 2eimN-2eijA:
100.00
2eimP-2eijA:
21.00
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.
2f4o PEPTIDE N-GLYCANASE

(Mus musculus) 		PF01841
(Transglut_core) 		4 ASP A 332
THR A 331
TYR A 330
TRP A 386
 None
 1.35A 2eimN-2f4oA:
undetectable
2eimP-2f4oA:
undetectable		 2eimN-2f4oA:
16.31
2eimP-2f4oA:
16.83
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.
2fk9 PROTEIN KINASE C,
ETA TYPE

(Homo sapiens) 		PF00168
(C2) 		4 HIS A  88
THR A  59
TYR A  68
HIS A  96
 None
 1.49A 2eimN-2fk9A:
undetectable
2eimP-2fk9A:
undetectable		 2eimN-2fk9A:
14.84
2eimP-2fk9A:
21.56
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.
2gs4 PROTEIN YCIF

(Escherichia
coli) 		PF05974
(DUF892) 		4 ASP A  16
THR A  17
TYR A  18
HIS A  47
 None
 1.18A 2eimN-2gs4A:
2.6
2eimP-2gs4A:
3.9		 2eimN-2gs4A:
14.17
2eimP-2gs4A:
20.32
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.
2hyp HYPOTHETICAL PROTEIN
RV0805

(Mycobacterium
tuberculosis) 		PF00149
(Metallophos) 		4 HIS A 261
ASP A 257
THR A 258
TYR A 255
 None
BR  A 302 (-4.7A)
BR  A 302 ( 4.9A)
None
 1.35A 2eimN-2hypA:
undetectable
2eimP-2hypA:
undetectable		 2eimN-2hypA:
20.49
2eimP-2hypA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ph5 HOMOSPERMIDINE
SYNTHASE

(Legionella
pneumophila) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 ASP A 443
THR A 442
TYR A 441
HIS A 204
 None
 1.34A 2eimN-2ph5A:
undetectable
2eimP-2ph5A:
undetectable		 2eimN-2ph5A:
23.02
2eimP-2ph5A:
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.
2q6d INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE

(Avian
coronavirus) 		PF05409
(Peptidase_C30) 		4 HIS A  41
ASP A 174
THR A 173
TYR A 159
 None
 1.32A 2eimN-2q6dA:
undetectable
2eimP-2q6dA:
undetectable		 2eimN-2q6dA:
21.14
2eimP-2q6dA:
21.00
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.
2qfz TBC1 DOMAIN FAMILY
MEMBER 22A

(Homo sapiens) 		PF00566
(RabGAP-TBC) 		4 ASP A 275
THR A 276
TYR A 277
HIS A 313
 None
 1.39A 2eimN-2qfzA:
undetectable
2eimP-2qfzA:
undetectable		 2eimN-2qfzA:
19.66
2eimP-2qfzA:
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.
2rcv SUPEROXIDE DISMUTASE
[MN]

(Bacillus
subtilis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 HIS A  27
ASP A  13
TYR A  10
HIS A  31
 MN  A 203 (-3.4A)
None
None
None
 1.49A 2eimN-2rcvA:
undetectable
2eimP-2rcvA:
undetectable		 2eimN-2rcvA:
17.70
2eimP-2rcvA:
21.27
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.
2vqr PUTATIVE SULFATASE

(Rhizobium
leguminosarum) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 HIS A 411
ASP A 482
TYR A 447
HIS A 494
 None
 1.33A 2eimN-2vqrA:
undetectable
2eimP-2vqrA:
undetectable		 2eimN-2vqrA:
20.48
2eimP-2vqrA:
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.
2vyc BIODEGRADATIVE
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		4 HIS A 382
ASP A 362
TYR A 360
HIS A 398
 None
 1.47A 2eimN-2vycA:
undetectable
2eimP-2vycA:
undetectable		 2eimN-2vycA:
21.37
2eimP-2vycA:
16.90
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.
2w8s PHOSPHONATE
MONOESTER HYDROLASE

(Paraburkholderia
caryophylli) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 HIS A 411
ASP A 482
TYR A 447
HIS A 494
 None
None
None
SO4  A1517 (-4.1A)
 1.30A 2eimN-2w8sA:
undetectable
2eimP-2w8sA:
undetectable		 2eimN-2w8sA:
19.33
2eimP-2w8sA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		4 HIS A 271
ASP A 153
TRP A  93
HIS A 185
 None
 1.30A 2eimN-3b1bA:
undetectable
2eimP-3b1bA:
undetectable		 2eimN-3b1bA:
22.98
2eimP-3b1bA:
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.
3d23 3C-LIKE PROTEINASE

(Human
coronavirus
HKU1) 		no annotation 4 HIS B  41
ASP B 176
THR B 175
TYR B 161
 None
 1.27A 2eimN-3d23B:
undetectable
2eimP-3d23B:
undetectable		 2eimN-3d23B:
20.69
2eimP-3d23B:
19.93
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.
3d62 3C-LIKE PROTEINASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF05409
(Peptidase_C30) 		4 HIS A  41
ASP A 176
THR A 175
TYR A 161
 959  A 350 (-3.9A)
None
None
None
 1.43A 2eimN-3d62A:
undetectable
2eimP-3d62A:
undetectable		 2eimN-3d62A:
20.46
2eimP-3d62A:
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.
3ec7 PUTATIVE
DEHYDROGENASE

(Salmonella
enterica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.06A 2eimN-3ec7A:
undetectable
2eimP-3ec7A:
undetectable		 2eimN-3ec7A:
20.73
2eimP-3ec7A:
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.
3ecn HIGH AFFINITY
CAMP-SPECIFIC AND
IBMX-INSENSITIVE
3',5'-CYCLIC
PHOSPHODIESTERASE 8A

(Homo sapiens) 		PF00233
(PDEase_I) 		4 ASP A 621
THR A 622
TYR A 619
HIS A 676
 None
 1.30A 2eimN-3ecnA:
undetectable
2eimP-3ecnA:
undetectable		 2eimN-3ecnA:
18.32
2eimP-3ecnA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fqd 5'-3'
EXORIBONUCLEASE 2

(Schizosaccharomyces
pombe) 		PF03159
(XRN_N) 		4 HIS A 246
THR A 370
TYR A 368
HIS A 847
 None
 1.32A 2eimN-3fqdA:
undetectable
2eimP-3fqdA:
undetectable		 2eimN-3fqdA:
18.36
2eimP-3fqdA:
12.95
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.
3hdo HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Geobacter
metallireducens) 		PF00155
(Aminotran_1_2) 		4 HIS A 319
ASP A 285
THR A 297
TYR A 284
 None
 1.21A 2eimN-3hdoA:
undetectable
2eimP-3hdoA:
undetectable		 2eimN-3hdoA:
21.57
2eimP-3hdoA:
18.65
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.
3hoa THERMOSTABLE
CARBOXYPEPTIDASE 1

(Thermus
thermophilus) 		PF02074
(Peptidase_M32) 		4 HIS A 280
THR A 429
TYR A 172
HIS A 276
 None
 1.48A 2eimN-3hoaA:
2.7
2eimP-3hoaA:
2.7		 2eimN-3hoaA:
22.80
2eimP-3hoaA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hwc CHLOROPHENOL-4-MONOO
XYGENASE COMPONENT 2

(Burkholderia
cepacia) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		4 ASP A3114
THR A3110
TYR A3112
HIS A3291
 None
 1.37A 2eimN-3hwcA:
0.7
2eimP-3hwcA:
undetectable		 2eimN-3hwcA:
21.31
2eimP-3hwcA:
19.04
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.
3ib7 ICC PROTEIN

(Mycobacterium
tuberculosis) 		PF00149
(Metallophos) 		4 HIS A 261
ASP A 257
THR A 258
TYR A 255
 None
 1.46A 2eimN-3ib7A:
undetectable
2eimP-3ib7A:
undetectable		 2eimN-3ib7A:
23.25
2eimP-3ib7A:
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.
3j97 ALPHA-SOLUBLE NSF
ATTACHMENT PROTEIN

(Rattus
norvegicus) 		no annotation 4 HIS H 124
ASP H 113
THR H 112
HIS H 144
 None
 1.30A 2eimN-3j97H:
3.2
2eimP-3j97H:
5.0		 2eimN-3j97H:
19.26
2eimP-3j97H:
19.54
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.
3mi6 ALPHA-GALACTOSIDASE

(Lactobacillus
brevis) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 ASP A 642
THR A 652
TYR A 669
HIS A 205
 None
 1.31A 2eimN-3mi6A:
undetectable
2eimP-3mi6A:
undetectable		 2eimN-3mi6A:
21.28
2eimP-3mi6A:
15.95
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.
3mn8 LP15968P

(Drosophila
melanogaster) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		4 ASP A 257
THR A 254
TYR A 255
HIS A 336
 None
 1.46A 2eimN-3mn8A:
undetectable
2eimP-3mn8A:
undetectable		 2eimN-3mn8A:
23.47
2eimP-3mn8A:
19.95
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.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.20A 2eimN-3n58A:
undetectable
2eimP-3n58A:
undetectable		 2eimN-3n58A:
21.15
2eimP-3n58A:
20.40
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.
3nad FERULATE
DECARBOXYLASE

(Bacillus
pumilus) 		PF05870
(PA_decarbox) 		4 ASP A 129
THR A  12
TYR A  13
HIS A   8
 None
 1.47A 2eimN-3nadA:
undetectable
2eimP-3nadA:
undetectable		 2eimN-3nadA:
13.51
2eimP-3nadA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nvs 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		4 ASP A 406
THR A 382
TYR A 383
HIS A 377
 None
 1.38A 2eimN-3nvsA:
undetectable
2eimP-3nvsA:
undetectable		 2eimN-3nvsA:
21.68
2eimP-3nvsA:
20.31
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.
3qbw ANHYDRO-N-ACETYLMURA
MIC ACID KINASE

(Pseudomonas
aeruginosa) 		PF03702
(AnmK) 		4 HIS A 147
ASP A 316
THR A 315
TYR A 318
 None
 1.19A 2eimN-3qbwA:
undetectable
2eimP-3qbwA:
undetectable		 2eimN-3qbwA:
21.43
2eimP-3qbwA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sp1 CYSTEINYL-TRNA
SYNTHETASE

(Borreliella
burgdorferi) 		PF01406
(tRNA-synt_1e) 		4 HIS A 246
ASP A  68
THR A  67
HIS A 236
 ZN  A 481 (-3.3A)
None
None
None
 1.36A 2eimN-3sp1A:
undetectable
2eimP-3sp1A:
undetectable		 2eimN-3sp1A:
20.43
2eimP-3sp1A:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4arr TOLL RECEPTOR,
VARIABLE LYMPHOCYTE
RECEPTOR B.61
CHIMERA

(Drosophila
melanogaster;
Eptatretus
burgeri) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 HIS A 145
ASP A  83
THR A  84
TYR A  87
 None
 1.27A 2eimN-4arrA:
undetectable
2eimP-4arrA:
undetectable		 2eimN-4arrA:
19.22
2eimP-4arrA:
19.93
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.
4dmo N-HYDROXYARYLAMINE
O-ACETYLTRANSFERASE

(Bacillus cereus) 		PF00797
(Acetyltransf_2) 		4 ASP A 231
THR A 229
TYR A 251
HIS A 225
 None
 1.44A 2eimN-4dmoA:
undetectable
2eimP-4dmoA:
undetectable		 2eimN-4dmoA:
19.31
2eimP-4dmoA:
22.11
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		4 HIS A 227
ASP A 164
THR A 204
HIS A 225
 ZN  A 504 (-3.3A)
None
None
None
 1.36A 2eimN-4dzhA:
undetectable
2eimP-4dzhA:
undetectable		 2eimN-4dzhA:
20.88
2eimP-4dzhA:
19.75
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.
4el8 GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF02011
(Glyco_hydro_48) 		4 HIS A 191
ASP A 223
THR A 222
TYR A 221
 None
 1.05A 2eimN-4el8A:
2.2
2eimP-4el8A:
undetectable		 2eimN-4el8A:
20.22
2eimP-4el8A:
17.87
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.
4lmg IRON-REGULATED
TRANSCRIPTIONAL
ACTIVATOR AFT2

(Saccharomyces
cerevisiae) 		PF08731
(AFT) 		4 ASP A 146
THR A 145
TYR A 148
HIS A 135
 None
None
None
ZN  A 201 (-3.2A)
 1.31A 2eimN-4lmgA:
undetectable
2eimP-4lmgA:
undetectable		 2eimN-4lmgA:
13.37
2eimP-4lmgA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n1a CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		4 HIS A 877
ASP A 790
THR A 788
TYR A 787
 None
 1.40A 2eimN-4n1aA:
undetectable
2eimP-4n1aA:
undetectable		 2eimN-4n1aA:
21.75
2eimP-4n1aA:
16.81
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.
4nh0 CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		4 HIS A 877
ASP A 790
THR A 788
TYR A 787
 None
 1.43A 2eimN-4nh0A:
undetectable
2eimP-4nh0A:
undetectable		 2eimN-4nh0A:
17.50
2eimP-4nh0A:
12.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4obu PYRIDOXAL-DEPENDENT
DECARBOXYLASE DOMAIN
PROTEIN

([Ruminococcus]
gnavus) 		no annotation 4 HIS E  92
ASP E 474
THR E 472
HIS E  44
 None
 1.46A 2eimN-4obuE:
undetectable
2eimP-4obuE:
undetectable		 2eimN-4obuE:
22.90
2eimP-4obuE:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p2b GLUTAMINE
AMINOACYL-TRNA
SYNTHETASE

(Toxoplasma
gondii) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ASP A 226
TYR A 227
TRP A 219
HIS A 212
 None
 1.45A 2eimN-4p2bA:
undetectable
2eimP-4p2bA:
undetectable		 2eimN-4p2bA:
20.13
2eimP-4p2bA:
19.10
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.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		4 HIS A 387
ASP A 214
THR A 213
HIS A 389
 HEM  A 602 (-3.7A)
None
HEM  A 602 (-3.4A)
HEM  A 602 (-3.3A)
 1.29A 2eimN-4ph9A:
undetectable
2eimP-4ph9A:
undetectable		 2eimN-4ph9A:
20.29
2eimP-4ph9A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q6u UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 4 ASP A 114
THR A 113
TYR A 132
HIS A 198
 1PE  A 401 (-3.2A)
None
None
None
 1.46A 2eimN-4q6uA:
undetectable
2eimP-4q6uA:
undetectable		 2eimN-4q6uA:
21.76
2eimP-4q6uA:
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.
4tkt AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 ASP A3187
THR A3196
TYR A3197
HIS A3352
 None
 1.48A 2eimN-4tktA:
undetectable
2eimP-4tktA:
undetectable		 2eimN-4tktA:
21.34
2eimP-4tktA:
17.31
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.
4tn0 UPF0141 PROTEIN YJDB

(Campylobacter
jejuni) 		PF00884
(Sulfatase) 		4 ASP A 402
THR A 401
TYR A 400
HIS A 428
 None
None
None
ZN  A 601 (-3.4A)
 1.34A 2eimN-4tn0A:
undetectable
2eimP-4tn0A:
undetectable		 2eimN-4tn0A:
21.76
2eimP-4tn0A:
22.96
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.
4xly UNCHARACTERIZED
PROTEIN BLR2150

(Bradyrhizobium
diazoefficiens) 		no annotation 4 ASP A 132
THR A 133
TYR A 136
TRP A  14
 None
None
ECP  A 700 ( 4.9A)
None
 1.12A 2eimN-4xlyA:
undetectable
2eimP-4xlyA:
undetectable		 2eimN-4xlyA:
19.80
2eimP-4xlyA:
19.42
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.
4ye9 GLUTAMINE--TRNA
LIGASE

(Homo sapiens) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C)
PF04557
(tRNA_synt_1c_R2)
PF04558
(tRNA_synt_1c_R1) 		4 ASP A 439
TYR A 440
TRP A 432
HIS A 425
 None
 1.43A 2eimN-4ye9A:
undetectable
2eimP-4ye9A:
undetectable		 2eimN-4ye9A:
19.70
2eimP-4ye9A:
16.00
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.
4ye9 GLUTAMINE--TRNA
LIGASE

(Homo sapiens) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C)
PF04557
(tRNA_synt_1c_R2)
PF04558
(tRNA_synt_1c_R1) 		4 THR A 441
TYR A 440
TRP A 432
HIS A 425
 None
 1.44A 2eimN-4ye9A:
undetectable
2eimP-4ye9A:
undetectable		 2eimN-4ye9A:
19.70
2eimP-4ye9A:
16.00
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.
4yio SUPEROXIDE DISMUTASE

(Streptococcus
thermophilus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 FE  A 301 (-3.3A)
GOL  A 308 (-2.3A)
None
None
 1.49A 2eimN-4yioA:
undetectable
2eimP-4yioA:
undetectable		 2eimN-4yioA:
17.68
2eimP-4yioA:
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.
4ymk ACYL-COA DESATURASE
1

(Mus musculus) 		PF00487
(FA_desaturase) 		4 HIS A 297
THR A 123
TYR A 304
HIS A 298
 ZN  A 401 (-3.2A)
None
None
ZN  A 402 (-3.4A)
 1.31A 2eimN-4ymkA:
undetectable
2eimP-4ymkA:
undetectable		 2eimN-4ymkA:
21.62
2eimP-4ymkA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zgs PUTATIVE D-LACTATE
DEHYDROGENASE

(Chlamydomonas
reinhardtii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ASP A 156
THR A 155
TYR A 158
HIS A 142
 None
 1.36A 2eimN-4zgsA:
undetectable
2eimP-4zgsA:
undetectable		 2eimN-4zgsA:
22.37
2eimP-4zgsA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a9g MANGANESE SUPEROXIDE
DISMUTASE

(Sphingobacterium
spiritivorum) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 301 (-3.3A)
None
None
None
 1.48A 2eimN-5a9gA:
undetectable
2eimP-5a9gA:
undetectable		 2eimN-5a9gA:
18.69
2eimP-5a9gA:
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.
5dmr REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H P80

(Murine leukemia
virus) 		PF00075
(RNase_H) 		4 HIS A 592
ASP A 583
THR A 582
TYR A 581
 None
 1.41A 2eimN-5dmrA:
undetectable
2eimP-5dmrA:
undetectable		 2eimN-5dmrA:
15.89
2eimP-5dmrA:
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.
5fjq CARBOHYDRATE BINDING
PROTEIN, PUTATIVE,
CPB33A

(Cellvibrio
japonicus) 		PF03067
(LPMO_10) 		4 HIS A 178
ASP A 198
THR A 138
HIS A 165
 None
 1.28A 2eimN-5fjqA:
undetectable
2eimP-5fjqA:
undetectable		 2eimN-5fjqA:
14.54
2eimP-5fjqA:
19.26
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.
5ftz CHITIN BINDING
PROTEIN

(Streptomyces
lividans) 		PF03067
(LPMO_10) 		4 HIS A 120
ASP A 124
TYR A 155
HIS A  30
 CU  A 202 (-3.1A)
None
None
CU  A 202 (-2.9A)
 1.37A 2eimN-5ftzA:
undetectable
2eimP-5ftzA:
undetectable		 2eimN-5ftzA:
16.94
2eimP-5ftzA:
22.39
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.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		4 HIS A 386
ASP A 213
THR A 212
HIS A 388
 COH  A 602 (-3.7A)
None
COH  A 602 (-2.4A)
COH  A 602 (-3.3A)
 1.21A 2eimN-5ikrA:
undetectable
2eimP-5ikrA:
undetectable		 2eimN-5ikrA:
21.04
2eimP-5ikrA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 4 HIS A 482
ASP A 508
THR A 507
HIS A 489
 None
 1.38A 2eimN-5nqdA:
undetectable
2eimP-5nqdA:
undetectable		 2eimN-5nqdA:
undetectable
2eimP-5nqdA:
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.
5oh6 INTERAPTIN

(Legionella
pneumophila) 		no annotation 4 HIS A  61
ASP A  47
THR A  46
TRP A  65
 None
 1.08A 2eimN-5oh6A:
1.2
2eimP-5oh6A:
1.9		 2eimN-5oh6A:
16.89
2eimP-5oh6A:
20.00
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.
5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 HIS A 674
ASP A 669
THR A 670
TYR A 671
 None
 1.26A 2eimN-5okoA:
undetectable
2eimP-5okoA:
undetectable		 2eimN-5okoA:
22.94
2eimP-5okoA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tir SUPEROXIDE DISMUTASE

(Trichoderma
reesei) 		no annotation 4 HIS A  30
ASP A  16
TYR A  13
HIS A  34
 MN  A 301 (-3.4A)
None
None
None
 1.43A 2eimN-5tirA:
undetectable
2eimP-5tirA:
undetectable		 2eimN-5tirA:
19.46
2eimP-5tirA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u30 CRISPR-ASSOCIATED
ENDONUCLEASE C2C1

(Alicyclobacillus
acidoterrestris) 		no annotation 4 HIS A 402
ASP A 196
THR A 195
TYR A 194
 None
 1.41A 2eimN-5u30A:
undetectable
2eimP-5u30A:
3.0		 2eimN-5u30A:
17.22
2eimP-5u30A:
11.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5urb METHIONINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		4 ASP A 105
THR A 104
TYR A 107
HIS A  95
 None
 1.14A 2eimN-5urbA:
undetectable
2eimP-5urbA:
3.3		 2eimN-5urbA:
21.15
2eimP-5urbA:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 4 ASP A 139
THR A 213
TYR A 137
HIS A 222
 None
 1.32A 2eimN-5x7uA:
undetectable
2eimP-5x7uA:
undetectable		 2eimN-5x7uA:
undetectable
2eimP-5x7uA:
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.
5xwb 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Colwellia
psychrerythraea) 		PF00275
(EPSP_synthase) 		4 ASP A 406
THR A 382
TYR A 383
HIS A 377
 None
 1.37A 2eimN-5xwbA:
undetectable
2eimP-5xwbA:
undetectable		 2eimN-5xwbA:
22.61
2eimP-5xwbA:
20.54
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.
5y9d ACYL-COENZYME A
OXIDASE 1

(Yarrowia
lipolytica) 		no annotation 4 ASP A 519
THR A 518
TYR A 521
HIS A 548
 None
 1.12A 2eimN-5y9dA:
0.2
2eimP-5y9dA:
2.2		 2eimN-5y9dA:
undetectable
2eimP-5y9dA:
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.
5ys9 ACYL-COENZYME A
OXIDASE 3

(Yarrowia
lipolytica) 		no annotation 4 ASP A 635
THR A 634
TYR A 633
HIS A 351
 None
 1.07A 2eimN-5ys9A:
undetectable
2eimP-5ys9A:
3.3		 2eimN-5ys9A:
undetectable
2eimP-5ys9A:
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.
6b74 COAGULATION FACTOR
XII

(Homo sapiens) 		no annotation 4 HIS B  57
ASP B 230
THR B 229
TYR B 228
 SO4  B 304 (-3.8A)
None
None
None
 1.31A 2eimN-6b74B:
undetectable
2eimP-6b74B:
undetectable		 2eimN-6b74B:
undetectable
2eimP-6b74B:
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.
6fnz NEURONAL MIGRATION
PROTEIN DOUBLECORTIN

(Homo sapiens) 		no annotation 4 ASP A 313
THR A 311
TYR A 310
HIS A 321
 None
 1.27A 2eimN-6fnzA:
undetectable
2eimP-6fnzA:
undetectable		 2eimN-6fnzA:
undetectable
2eimP-6fnzA:
undetectable