SIMILAR PATTERNS OF AMINO ACIDS FOR 6NMF_P_CHDP307_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.
1cpy SERINE
CARBOXYPEPTIDASE


(Saccharomyces
cerevisiae)
PF00450
(Peptidase_S10)
4 ASP A 180
THR A 179
TYR A 316
HIS A 397
None
1.42A 6nmfN-1cpyA:
0.4
6nmfP-1cpyA:
0.0
6nmfN-1cpyA:
20.45
6nmfP-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.
1gnx BETA-GLUCOSIDASE

(Streptomyces
sp.)
PF00232
(Glyco_hydro_1)
4 ASP A  68
THR A  67
TYR A 453
HIS A 133
None
1.29A 6nmfN-1gnxA:
0.1
6nmfP-1gnxA:
0.3
6nmfN-1gnxA:
22.40
6nmfP-1gnxA:
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.
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
1.49A 6nmfN-1js4A:
2.1
6nmfP-1js4A:
1.6
6nmfN-1js4A:
22.63
6nmfP-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
1.46A 6nmfN-1js4A:
2.1
6nmfP-1js4A:
1.6
6nmfN-1js4A:
22.63
6nmfP-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.
1lur ALDOSE 1-EPIMERASE

(Caenorhabditis
elegans)
PF01263
(Aldose_epim)
4 HIS A1163
ASP A1276
TYR A1285
HIS A1092
None
1.04A 6nmfN-1lurA:
undetectable
6nmfP-1lurA:
undetectable
6nmfN-1lurA:
21.01
6nmfP-1lurA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 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
1.26A 6nmfN-1nj1A:
0.0
6nmfP-1nj1A:
undetectable
6nmfN-1nj1A:
20.07
6nmfP-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.
1nw1 CHOLINE KINASE (49.2
KD)


(Caenorhabditis
elegans)
PF01633
(Choline_kinase)
4 HIS A 384
ASP A 324
TYR A 333
HIS A 418
None
1.29A 6nmfN-1nw1A:
undetectable
6nmfP-1nw1A:
0.0
6nmfN-1nw1A:
21.48
6nmfP-1nw1A:
21.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA
CYTOCHROME C OXIDASE
POLYPEPTIDE III


(Paracoccus
denitrificans;
Paracoccus
denitrificans)
PF00115
(COX1)
PF00510
(COX3)
4 HIS A 269
TRP A 323
TYR A 339
TRP C 106
PC1  C 301 ( 4.2A)
None
PC1  C 301 (-3.3A)
PC1  C 301 (-4.4A)
0.62A 6nmfN-1qleA:
53.7
6nmfP-1qleA:
2.7
6nmfN-1qleA:
53.19
6nmfP-1qleA:
20.59
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.
1r57 CONSERVED
HYPOTHETICAL PROTEIN


(Staphylococcus
aureus)
PF14542
(Acetyltransf_CG)
4 HIS A 100
ASP A  90
TYR A  92
HIS A 102
None
1.47A 6nmfN-1r57A:
undetectable
6nmfP-1r57A:
undetectable
6nmfN-1r57A:
10.87
6nmfP-1r57A:
16.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r8y GLYCINE
N-METHYLTRANSFERASE


(Mus musculus)
PF13847
(Methyltransf_31)
4 TRP A  30
THR A  67
TYR A  93
HIS A 142
None
1.14A 6nmfN-1r8yA:
0.0
6nmfP-1r8yA:
undetectable
6nmfN-1r8yA:
21.10
6nmfP-1r8yA:
19.94
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.
1snz ALDOSE 1-EPIMERASE

(Homo sapiens)
PF01263
(Aldose_epim)
4 HIS A 176
ASP A 287
TYR A 298
HIS A 107
None
1.27A 6nmfN-1snzA:
undetectable
6nmfP-1snzA:
undetectable
6nmfN-1snzA:
19.69
6nmfP-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.
1vkn N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE


(Thermotoga
maritima)
PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC)
4 HIS A 285
ASP A 327
THR A 329
HIS A 267
None
1.05A 6nmfN-1vknA:
undetectable
6nmfP-1vknA:
0.0
6nmfN-1vknA:
21.35
6nmfP-1vknA:
22.71
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.
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
1.08A 6nmfN-1xfdA:
undetectable
6nmfP-1xfdA:
undetectable
6nmfN-1xfdA:
19.95
6nmfP-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)
1.31A 6nmfN-1ysjA:
undetectable
6nmfP-1ysjA:
undetectable
6nmfN-1ysjA:
19.86
6nmfP-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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II


(Homo sapiens)
PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28)
4 TRP A 434
ASP A 106
THR A 361
TRP A 421
None
1.30A 6nmfN-1z8lA:
undetectable
6nmfP-1z8lA:
2.7
6nmfN-1z8lA:
20.42
6nmfP-1z8lA:
15.75
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.
1zzh CYTOCHROME C
PEROXIDASE


(Rhodobacter
capsulatus)
PF00034
(Cytochrom_C)
PF03150
(CCP_MauG)
4 HIS A 264
ASP A 243
THR A 241
TRP A  97
ZN  A 402 ( 3.6A)
None
None
None
1.16A 6nmfN-1zzhA:
undetectable
6nmfP-1zzhA:
undetectable
6nmfN-1zzhA:
20.08
6nmfP-1zzhA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aam HYPOTHETICAL PROTEIN
TM1410


(Thermotoga
maritima)
PF03537
(Glyco_hydro_114)
4 TRP A 134
ASP A 143
TYR A 141
TRP A 113
None
GOL  A 326 (-2.6A)
None
None
1.20A 6nmfN-2aamA:
undetectable
6nmfP-2aamA:
undetectable
6nmfN-2aamA:
18.46
6nmfP-2aamA:
19.06
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)
5 HIS A 233
TRP A 288
ASP A 300
THR A 301
TYR A 304
None
0.22A 6nmfN-2eijA:
63.7
6nmfP-2eijA:
undetectable
6nmfN-2eijA:
100.00
6nmfP-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.
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
1.40A 6nmfN-2hypA:
undetectable
6nmfP-2hypA:
undetectable
6nmfN-2hypA:
20.49
6nmfP-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.
2jir PERIPLASMIC NITRATE
REDUCTASE


(Desulfovibrio
desulfuricans)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
4 HIS A 374
ASP A 534
THR A 531
TYR A 533
None
1.43A 6nmfN-2jirA:
undetectable
6nmfP-2jirA:
undetectable
6nmfN-2jirA:
20.98
6nmfP-2jirA:
15.97
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.
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
1.26A 6nmfN-2q6dA:
undetectable
6nmfP-2q6dA:
undetectable
6nmfN-2q6dA:
21.14
6nmfP-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.
2vqr PUTATIVE SULFATASE

(Rhizobium
leguminosarum)
PF00884
(Sulfatase)
PF16347
(DUF4976)
4 HIS A 411
ASP A 482
TYR A 447
HIS A 494
None
1.34A 6nmfN-2vqrA:
undetectable
6nmfP-2vqrA:
undetectable
6nmfN-2vqrA:
20.48
6nmfP-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
1.38A 6nmfN-2vycA:
undetectable
6nmfP-2vycA:
undetectable
6nmfN-2vycA:
21.37
6nmfP-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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii)
PF00194
(Carb_anhydrase)
4 HIS A 271
ASP A 142
TRP A  93
HIS A 185
None
1.47A 6nmfN-3b1bA:
undetectable
6nmfP-3b1bA:
undetectable
6nmfN-3b1bA:
22.98
6nmfP-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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii)
PF00194
(Carb_anhydrase)
4 HIS A 271
ASP A 153
TRP A  93
HIS A 185
None
1.38A 6nmfN-3b1bA:
undetectable
6nmfP-3b1bA:
undetectable
6nmfN-3b1bA:
22.98
6nmfP-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.
3c64 PFEMP1 VARIANT 2 OF
STRAIN MC


(Plasmodium
falciparum)
PF03011
(PFEMP)
4 TRP A  63
THR A 134
TYR A 133
TRP A  14
None
None
CL  A 501 (-4.8A)
None
1.34A 6nmfN-3c64A:
2.4
6nmfP-3c64A:
1.3
6nmfN-3c64A:
15.51
6nmfP-3c64A:
18.49
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.
3d23 3C-LIKE PROTEINASE

(Human
coronavirus
HKU1)
no annotation 4 HIS B  41
ASP B 176
THR B 175
TYR B 161
None
1.22A 6nmfN-3d23B:
undetectable
6nmfP-3d23B:
undetectable
6nmfN-3d23B:
20.69
6nmfP-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
1.35A 6nmfN-3d62A:
undetectable
6nmfP-3d62A:
undetectable
6nmfN-3d62A:
20.46
6nmfP-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.
3f5b AMINOGLYCOSIDE
N(6')ACETYLTRANSFERA
SE


(Legionella
pneumophila)
PF13523
(Acetyltransf_8)
4 HIS A 162
TYR A 142
TRP A 157
HIS A 158
None
EDO  A 187 ( 4.8A)
None
None
1.48A 6nmfN-3f5bA:
undetectable
6nmfP-3f5bA:
undetectable
6nmfN-3f5bA:
14.59
6nmfP-3f5bA:
19.84
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.
3fed GLUTAMATE
CARBOXYPEPTIDASE III


(Homo sapiens)
PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28)
4 TRP A 424
ASP A  96
THR A 351
TRP A 411
None
1.40A 6nmfN-3fedA:
undetectable
6nmfP-3fedA:
2.9
6nmfN-3fedA:
21.70
6nmfP-3fedA:
16.94
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.
3hoa THERMOSTABLE
CARBOXYPEPTIDASE 1


(Thermus
thermophilus)
PF02074
(Peptidase_M32)
4 HIS A 280
THR A 429
TYR A 172
HIS A 276
None
1.45A 6nmfN-3hoaA:
undetectable
6nmfP-3hoaA:
2.9
6nmfN-3hoaA:
22.80
6nmfP-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
1.44A 6nmfN-3hwcA:
2.3
6nmfP-3hwcA:
1.5
6nmfN-3hwcA:
21.31
6nmfP-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.
3izq ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN


(Saccharomyces
cerevisiae)
PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF08938
(HBS1_N)
4 ASP 1 366
THR 1 365
TYR 1 364
HIS 1 243
None
1.47A 6nmfN-3izq1:
undetectable
6nmfP-3izq1:
undetectable
6nmfN-3izq1:
20.06
6nmfP-3izq1:
15.65
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.
3j97 ALPHA-SOLUBLE NSF
ATTACHMENT PROTEIN


(Rattus
norvegicus)
no annotation 4 HIS H 124
ASP H 113
THR H 112
HIS H 144
None
1.24A 6nmfN-3j97H:
undetectable
6nmfP-3j97H:
4.9
6nmfN-3j97H:
19.26
6nmfP-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.
3lg5 EPI-ISOZIZAENE
SYNTHASE


(Streptomyces
coelicolor)
no annotation 4 HIS A 102
TRP A  98
THR A 197
TRP A 114
None
1.31A 6nmfN-3lg5A:
0.4
6nmfP-3lg5A:
undetectable
6nmfN-3lg5A:
21.62
6nmfP-3lg5A:
20.94
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.
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
1.25A 6nmfN-3mi6A:
undetectable
6nmfP-3mi6A:
undetectable
6nmfN-3mi6A:
21.28
6nmfP-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 6nmfN-3mn8A:
undetectable
6nmfP-3mn8A:
undetectable
6nmfN-3mn8A:
23.47
6nmfP-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)
1.28A 6nmfN-3n58A:
0.1
6nmfP-3n58A:
undetectable
6nmfN-3n58A:
21.15
6nmfP-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.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1


(Mus musculus)
PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40)
4 HIS A 457
ASP A 443
THR A 446
HIS A 490
GBL  A1251 (-4.2A)
None
GBL  A1251 (-3.6A)
None
1.48A 6nmfN-3sfzA:
undetectable
6nmfP-3sfzA:
undetectable
6nmfN-3sfzA:
16.89
6nmfP-3sfzA:
11.12
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.
3sp1 CYSTEINYL-TRNA
SYNTHETASE


(Borreliella
burgdorferi)
PF01406
(tRNA-synt_1e)
4 HIS A 242
ASP A  68
THR A  67
HIS A 236
AMP  A 482 (-4.2A)
None
None
None
1.47A 6nmfN-3sp1A:
undetectable
6nmfP-3sp1A:
undetectable
6nmfN-3sp1A:
20.43
6nmfP-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.
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
1.45A 6nmfN-3sp1A:
undetectable
6nmfP-3sp1A:
undetectable
6nmfN-3sp1A:
20.43
6nmfP-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.
3t5b PROBABLE
CHAIN-FATTY-ACID-COA
LIGASE FADD13


(Mycobacterium
tuberculosis)
PF00501
(AMP-binding)
4 TRP A 188
ASP A 333
THR A 332
HIS A 176
None
1.50A 6nmfN-3t5bA:
undetectable
6nmfP-3t5bA:
undetectable
6nmfN-3t5bA:
22.16
6nmfP-3t5bA:
18.66
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.
3vte TETRAHYDROCANNABINOL
IC ACID SYNTHASE


(Cannabis sativa)
PF01565
(FAD_binding_4)
PF08031
(BBE)
4 HIS A 318
ASP A 349
THR A 350
TYR A 354
None
1.22A 6nmfN-3vteA:
undetectable
6nmfP-3vteA:
undetectable
6nmfN-3vteA:
20.62
6nmfP-3vteA:
16.73
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.
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
1.25A 6nmfN-4arrA:
undetectable
6nmfP-4arrA:
undetectable
6nmfN-4arrA:
19.22
6nmfP-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.
4azc BETA-N-ACETYLHEXOSAM
INIDASE


(Streptococcus
pneumoniae)
PF00728
(Glyco_hydro_20)
4 TRP A 816
ASP A 763
THR A 811
HIS A 742
None
None
None
NGW  A2042 (-4.0A)
1.46A 6nmfN-4azcA:
undetectable
6nmfP-4azcA:
undetectable
6nmfN-4azcA:
21.22
6nmfP-4azcA:
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.
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
1.43A 6nmfN-4dzhA:
undetectable
6nmfP-4dzhA:
undetectable
6nmfN-4dzhA:
20.88
6nmfP-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
1.19A 6nmfN-4el8A:
undetectable
6nmfP-4el8A:
undetectable
6nmfN-4el8A:
20.22
6nmfP-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.
4fib UNCHARACTERIZED
PROTEIN YDHK


(Bacillus
subtilis)
PF07563
(DUF1541)
4 HIS A 158
ASP A 170
TYR A 114
HIS A 194
None
1.48A 6nmfN-4fibA:
undetectable
6nmfP-4fibA:
undetectable
6nmfN-4fibA:
16.96
6nmfP-4fibA:
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.
4fnm E3 ALPHA-ESTERASE-7
CARBOXYLESTERASE


(Lucilia cuprina)
PF00135
(COesterase)
4 HIS A 418
ASP A 549
TYR A 536
HIS A 401
None
1.29A 6nmfN-4fnmA:
undetectable
6nmfP-4fnmA:
undetectable
6nmfN-4fnmA:
20.56
6nmfP-4fnmA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gkl ALPHA-AMYLASE

(Thermotoga
neapolitana)
PF00128
(Alpha-amylase)
4 TRP A 179
ASP A 212
THR A 198
TRP A 194
None
1.19A 6nmfN-4gklA:
undetectable
6nmfP-4gklA:
undetectable
6nmfN-4gklA:
21.23
6nmfP-4gklA:
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.
4h18 CMT1

(Corynebacterium
glutamicum)
PF00756
(Esterase)
4 TRP A 117
ASP A 125
TYR A 127
TRP A 346
None
1.39A 6nmfN-4h18A:
undetectable
6nmfP-4h18A:
undetectable
6nmfN-4h18A:
21.69
6nmfP-4h18A:
20.78
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.
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)
1.37A 6nmfN-4lmgA:
undetectable
6nmfP-4lmgA:
undetectable
6nmfN-4lmgA:
13.37
6nmfP-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.
4mdw UNCHARACTERIZED
PROTEIN YDHK


(Bacillus
subtilis)
PF07563
(DUF1541)
4 HIS A 158
ASP A 170
TYR A 114
HIS A 194
None
1.49A 6nmfN-4mdwA:
undetectable
6nmfP-4mdwA:
undetectable
6nmfN-4mdwA:
14.34
6nmfP-4mdwA:
19.69
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.
4n1a CELL
DIVISIONFTSK/SPOIIIE


(Thermomonospora
curvata)
PF01580
(FtsK_SpoIIIE)
4 HIS A 877
ASP A 790
THR A 788
TYR A 787
None
1.43A 6nmfN-4n1aA:
undetectable
6nmfP-4n1aA:
undetectable
6nmfN-4n1aA:
21.75
6nmfP-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.
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)
1.26A 6nmfN-4ph9A:
undetectable
6nmfP-4ph9A:
undetectable
6nmfN-4ph9A:
20.29
6nmfP-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
1.49A 6nmfN-4q6uA:
undetectable
6nmfP-4q6uA:
undetectable
6nmfN-4q6uA:
21.76
6nmfP-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.
4rnl POSSIBLE GALACTOSE
MUTAROTASE


(Streptomyces
platensis)
PF01263
(Aldose_epim)
4 HIS A 179
ASP A 285
TYR A 296
HIS A 110
GOL  A 401 (-3.9A)
None
None
GOL  A 401 (-4.2A)
1.24A 6nmfN-4rnlA:
undetectable
6nmfP-4rnlA:
undetectable
6nmfN-4rnlA:
19.58
6nmfP-4rnlA:
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.
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
1.49A 6nmfN-4tktA:
undetectable
6nmfP-4tktA:
undetectable
6nmfN-4tktA:
21.34
6nmfP-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)
1.31A 6nmfN-4tn0A:
undetectable
6nmfP-4tn0A:
undetectable
6nmfN-4tn0A:
21.76
6nmfP-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.
4w6z ALCOHOL
DEHYDROGENASE 1


(Saccharomyces
cerevisiae)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
4 HIS A  48
TRP A  54
TYR A 294
HIS A  44
8ID  A 403 (-4.0A)
None
ETF  A 404 ( 4.5A)
8ID  A 403 (-3.5A)
1.37A 6nmfN-4w6zA:
undetectable
6nmfP-4w6zA:
undetectable
6nmfN-4w6zA:
21.51
6nmfP-4w6zA:
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.
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
1.18A 6nmfN-4xlyA:
undetectable
6nmfP-4xlyA:
undetectable
6nmfN-4xlyA:
19.80
6nmfP-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
1.37A 6nmfN-4ye9A:
undetectable
6nmfP-4ye9A:
undetectable
6nmfN-4ye9A:
19.70
6nmfP-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
1.39A 6nmfN-4ye9A:
undetectable
6nmfP-4ye9A:
undetectable
6nmfN-4ye9A:
19.70
6nmfP-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.
5a8q PUTATIVE RETAINING
B-GLYCOSIDASE


(Saccharophagus
degradans)
PF00150
(Cellulase)
4 TRP A  85
ASP A 117
TYR A 119
TRP A 129
None
None
None
SO4  A1371 (-4.0A)
0.97A 6nmfN-5a8qA:
undetectable
6nmfP-5a8qA:
undetectable
6nmfN-5a8qA:
22.09
6nmfP-5a8qA:
18.73
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.
5dmr REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H P80


(Murine leukemia
virus)
PF00075
(RNase_H)
4 ASP A 524
THR A 523
TYR A 522
HIS A 592
None
1.41A 6nmfN-5dmrA:
undetectable
6nmfP-5dmrA:
undetectable
6nmfN-5dmrA:
15.89
6nmfP-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.
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
1.45A 6nmfN-5dmrA:
undetectable
6nmfP-5dmrA:
undetectable
6nmfN-5dmrA:
15.89
6nmfP-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.
5i67 PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]


(Mycobacterium
tuberculosis)
PF00821
(PEPCK_C)
PF17297
(PEPCK_N)
4 TRP A 433
ASP A 305
TRP A 480
HIS A 479
None
1.49A 6nmfN-5i67A:
undetectable
6nmfP-5i67A:
undetectable
6nmfN-5i67A:
20.09
6nmfP-5i67A:
17.95
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.
5iki CYTOCHROME P450(MEG)

(Bacillus
megaterium)
PF00067
(p450)
4 TRP A 318
ASP A  42
THR A  43
TRP A  25
None
1.09A 6nmfN-5ikiA:
undetectable
6nmfP-5ikiA:
undetectable
6nmfN-5ikiA:
21.56
6nmfP-5ikiA:
19.57
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.
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)
1.15A 6nmfN-5ikrA:
undetectable
6nmfP-5ikrA:
undetectable
6nmfN-5ikrA:
21.04
6nmfP-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.
5irm UNCHARACTERIZED
PROTEIN


(Oryctolagus
cuniculus)
PF05729
(NACHT)
PF13516
(LRR_6)
4 TRP A 470
ASP A 492
TYR A 494
HIS A 476
ADP  A1101 ( 4.8A)
None
None
None
1.46A 6nmfN-5irmA:
undetectable
6nmfP-5irmA:
undetectable
6nmfN-5irmA:
20.45
6nmfP-5irmA:
15.38
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.
5ldr BETA-D-GALACTOSIDASE

(Paracoccus sp.
32d)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
4 HIS B 509
TRP B 489
THR B 496
TYR B 135
None
GAL  B 801 (-3.8A)
None
None
1.50A 6nmfN-5ldrB:
undetectable
6nmfP-5ldrB:
undetectable
6nmfN-5ldrB:
20.51
6nmfP-5ldrB:
13.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lxz SECRETED PROTEIN

(Streptomyces
lividans)
PF07646
(Kelch_2)
PF09118
(DUF1929)
4 HIS B  71
ASP B 266
TYR B 277
HIS B 502
None
None
None
CU  B 701 (-3.2A)
1.46A 6nmfN-5lxzB:
undetectable
6nmfP-5lxzB:
undetectable
6nmfN-5lxzB:
20.87
6nmfP-5lxzB:
15.89
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.
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
1.34A 6nmfN-5nqdA:
undetectable
6nmfP-5nqdA:
undetectable
6nmfN-5nqdA:
undetectable
6nmfP-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.
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
1.46A 6nmfN-5tirA:
1.1
6nmfP-5tirA:
undetectable
6nmfN-5tirA:
19.46
6nmfP-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.
5tr0 SEED LINOLEATE
13S-LIPOXYGENASE-1


(Glycine max)
no annotation 4 TRP A 649
ASP A 659
TRP A 648
HIS A 517
None
0.99A 6nmfN-5tr0A:
undetectable
6nmfP-5tr0A:
undetectable
6nmfN-5tr0A:
21.71
6nmfP-5tr0A:
14.81
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.
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
1.23A 6nmfN-5urbA:
1.3
6nmfP-5urbA:
3.3
6nmfN-5urbA:
21.15
6nmfP-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.
5y2v RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR


(Synechocystis
sp. PCC 6803)
no annotation 4 HIS A   0
ASP A  72
THR A  69
HIS A  -1
None
1.27A 6nmfN-5y2vA:
undetectable
6nmfP-5y2vA:
undetectable
6nmfN-5y2vA:
undetectable
6nmfP-5y2vA:
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.
5y9d ACYL-COENZYME A
OXIDASE 1


(Yarrowia
lipolytica)
no annotation 4 ASP A 519
THR A 518
TYR A 521
HIS A 548
None
1.10A 6nmfN-5y9dA:
undetectable
6nmfP-5y9dA:
2.1
6nmfN-5y9dA:
undetectable
6nmfP-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
1.06A 6nmfN-5ys9A:
0.1
6nmfP-5ys9A:
3.1
6nmfN-5ys9A:
undetectable
6nmfP-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.
6c29 PUTATIVE METAL
RESISTANCE PROTEIN


(Proteus
mirabilis)
no annotation 4 TRP A  46
ASP A 233
THR A 232
HIS A  83
None
1.17A 6nmfN-6c29A:
undetectable
6nmfP-6c29A:
undetectable
6nmfN-6c29A:
undetectable
6nmfP-6c29A:
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.
6c7v -

(-)
no annotation 4 TRP A  50
ASP A  98
THR A  78
HIS A 201
None
1.32A 6nmfN-6c7vA:
undetectable
6nmfP-6c7vA:
undetectable
6nmfN-6c7vA:
undetectable
6nmfP-6c7vA:
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
1.22A 6nmfN-6fnzA:
undetectable
6nmfP-6fnzA:
undetectable
6nmfN-6fnzA:
undetectable
6nmfP-6fnzA:
undetectable