SIMILAR PATTERNS OF AMINO ACIDS FOR 1MCN_P_DHIP1

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.
16vp PROTEIN (VP16,
VMW65, ATIF)

(Human
alphaherpesvirus
1) 		PF02232
(Alpha_TIF) 		3 PHE A 270
TYR A 149
PRO A 272
 None
 0.74A 1mcnA-16vpA:
undetectable
1mcnB-16vpA:
undetectable
1mcnP-16vpA:
undetectable		 1mcnA-16vpA:
22.16
1mcnB-16vpA:
22.16
1mcnP-16vpA:
2.17
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.
1e6v METHYL-COENZYME M
REDUCTASE I GAMMA
SUBUNIT

(Methanopyrus
kandleri) 		PF02240
(MCR_gamma) 		3 PHE C 147
TYR C 179
PRO C 149
 None
 1.14A 1mcnA-1e6vC:
undetectable
1mcnB-1e6vC:
0.0
1mcnP-1e6vC:
undetectable		 1mcnA-1e6vC:
18.75
1mcnB-1e6vC:
18.75
1mcnP-1e6vC:
3.39
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.
1gzk RAC-BETA
SERINE/THREONINE
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		3 PHE A 426
TYR A 438
PRO A 428
 None
 0.77A 1mcnA-1gzkA:
undetectable
1mcnB-1gzkA:
undetectable
1mcnP-1gzkA:
undetectable		 1mcnA-1gzkA:
20.44
1mcnB-1gzkA:
20.44
1mcnP-1gzkA:
3.03
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.
1hcy ARTHROPODAN
HEMOCYANIN

(Panulirus
interruptus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		3 PHE A  37
TYR A  46
PRO A  39
 None
 1.13A 1mcnA-1hcyA:
2.8
1mcnB-1hcyA:
0.0
1mcnP-1hcyA:
undetectable		 1mcnA-1hcyA:
15.17
1mcnB-1hcyA:
15.17
1mcnP-1hcyA:
0.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l6j MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00040
(fn2)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		3 PHE A 107
TYR A  52
PRO A 102
 None
 1.15A 1mcnA-1l6jA:
undetectable
1mcnB-1l6jA:
undetectable
1mcnP-1l6jA:
undetectable		 1mcnA-1l6jA:
18.97
1mcnB-1l6jA:
18.97
1mcnP-1l6jA:
1.74
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.
1n7u ADSORPTION PROTEIN
P2

(Salmonella
virus PRD1) 		PF09214
(Prd1-P2) 		3 PHE A  83
TYR A 145
PRO A  85
 None
 1.03A 1mcnA-1n7uA:
undetectable
1mcnB-1n7uA:
0.2
1mcnP-1n7uA:
undetectable		 1mcnA-1n7uA:
15.86
1mcnB-1n7uA:
15.86
1mcnP-1n7uA:
3.03
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.
1odu PUTATIVE
ALPHA-L-FUCOSIDASE

(Thermotoga
maritima) 		PF01120
(Alpha_L_fucos) 		3 PHE A  96
TYR A  82
PRO A  41
 None
 1.13A 1mcnA-1oduA:
undetectable
1mcnB-1oduA:
undetectable
1mcnP-1oduA:
undetectable		 1mcnA-1oduA:
18.26
1mcnB-1oduA:
18.26
1mcnP-1oduA:
0.81
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.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA

(Paracoccus
denitrificans) 		PF00115
(COX1) 		3 PHE A 297
TYR A 440
PRO A 372
 None
 1.15A 1mcnA-1qleA:
undetectable
1mcnB-1qleA:
undetectable
1mcnP-1qleA:
undetectable		 1mcnA-1qleA:
15.34
1mcnB-1qleA:
15.34
1mcnP-1qleA:
4.44
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.
1rvf FAB 17-IA
FAB 17-IA

(Mus musculus;
Mus musculus) 		PF07686
(V-set)
PF07686
(V-set) 		3 PHE H  91
TYR L  87
PRO L  44
 None
 1.18A 1mcnA-1rvfH:
14.3
1mcnB-1rvfH:
14.9
1mcnP-1rvfH:
undetectable		 1mcnA-1rvfH:
22.02
1mcnB-1rvfH:
22.02
1mcnP-1rvfH:
6.67
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.
1sbp SULFATE-BINDING
PROTEIN

(Salmonella
enterica) 		PF13531
(SBP_bac_11) 		3 PHE A  99
TYR A 143
PRO A 213
 None
 1.13A 1mcnA-1sbpA:
undetectable
1mcnB-1sbpA:
undetectable
1mcnP-1sbpA:
undetectable		 1mcnA-1sbpA:
23.32
1mcnB-1sbpA:
23.32
1mcnP-1sbpA:
2.27
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.
1xsz GUANINE NUCLEOTIDE
EXCHANGE PROTEIN

(Legionella
pneumophila) 		PF01369
(Sec7) 		3 PHE A  16
TYR A 326
PRO A  20
 None
 1.15A 1mcnA-1xszA:
undetectable
1mcnB-1xszA:
0.7
1mcnP-1xszA:
undetectable		 1mcnA-1xszA:
21.58
1mcnB-1xszA:
21.58
1mcnP-1xszA:
33.33
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.
2bws XAA-PRO
AMINOPEPTIDASE P

(Escherichia
coli) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		3 PHE A 219
TYR A 229
PRO A 227
 None
 0.96A 1mcnA-2bwsA:
undetectable
1mcnB-2bwsA:
undetectable
1mcnP-2bwsA:
undetectable		 1mcnA-2bwsA:
18.41
1mcnB-2bwsA:
18.41
1mcnP-2bwsA:
2.00
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.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Staphylococcus
aureus) 		PF01425
(Amidase) 		3 PHE A  99
TYR A 103
PRO A 101
 None
 1.12A 1mcnA-2f2aA:
undetectable
1mcnB-2f2aA:
undetectable
1mcnP-2f2aA:
undetectable		 1mcnA-2f2aA:
17.96
1mcnB-2f2aA:
17.96
1mcnP-2f2aA:
1.38
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.
2ffi 2-PYRONE-4,6-DICARBO
XYLIC ACID
HYDROLASE, PUTATIVE

(Pseudomonas
putida) 		PF04909
(Amidohydro_2) 		3 PHE A  64
TYR A  38
PRO A  36
 None
 1.17A 1mcnA-2ffiA:
undetectable
1mcnB-2ffiA:
undetectable
1mcnP-2ffiA:
undetectable		 1mcnA-2ffiA:
22.26
1mcnB-2ffiA:
22.26
1mcnP-2ffiA:
0.35
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.
2gfi PHYTASE

(Debaryomyces
castellii) 		PF00328
(His_Phos_2) 		3 PHE A 362
TYR A 229
PRO A 361
 None
 1.06A 1mcnA-2gfiA:
undetectable
1mcnB-2gfiA:
undetectable
1mcnP-2gfiA:
undetectable		 1mcnA-2gfiA:
18.52
1mcnB-2gfiA:
18.52
1mcnP-2gfiA:
2.63
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.
2gn1 THREONINE
DEHYDRATASE
CATABOLIC

(Salmonella
enterica) 		PF00291
(PALP) 		3 PHE A 149
TYR A 153
PRO A 151
 None
LLP  A  58 ( 4.8A)
None
 0.91A 1mcnA-2gn1A:
undetectable
1mcnB-2gn1A:
undetectable
1mcnP-2gn1A:
undetectable		 1mcnA-2gn1A:
20.81
1mcnB-2gn1A:
20.81
1mcnP-2gn1A:
9.09
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.
2hls PROTEIN DISULFIDE
OXIDOREDUCTASE

(Aeropyrum
pernix) 		PF13192
(Thioredoxin_3) 		3 PHE A 208
TYR A 213
PRO A 212
 None
 0.98A 1mcnA-2hlsA:
undetectable
1mcnB-2hlsA:
undetectable
1mcnP-2hlsA:
undetectable		 1mcnA-2hlsA:
21.72
1mcnB-2hlsA:
21.72
1mcnP-2hlsA:
3.45
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.
2hor ALLIIN LYASE 1

(Allium sativum) 		PF04863
(EGF_alliinase)
PF04864
(Alliinase_C) 		3 PHE A 393
TYR A 363
PRO A 208
 None
 1.11A 1mcnA-2horA:
undetectable
1mcnB-2horA:
undetectable
1mcnP-2horA:
undetectable		 1mcnA-2horA:
18.74
1mcnB-2horA:
18.74
1mcnP-2horA:
5.26
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.
2kms COMPLEMENT FACTOR H

(Homo sapiens) 		PF00084
(Sushi) 		3 PHE A 717
TYR A 709
PRO A 695
 None
 1.09A 1mcnA-2kmsA:
undetectable
1mcnB-2kmsA:
undetectable
1mcnP-2kmsA:
undetectable		 1mcnA-2kmsA:
16.67
1mcnB-2kmsA:
16.67
1mcnP-2kmsA:
10.53
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.
2kpn BACILLOLYSIN

(Bacillus cereus) 		PF16403
(DUF5011) 		3 PHE A 683
TYR A 721
PRO A 685
 None
 0.93A 1mcnA-2kpnA:
3.5
1mcnB-2kpnA:
undetectable
1mcnP-2kpnA:
undetectable		 1mcnA-2kpnA:
20.40
1mcnB-2kpnA:
20.40
1mcnP-2kpnA:
0.97
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.
2o1b AMINOTRANSFERASE,
CLASS I

(Staphylococcus
aureus) 		PF00155
(Aminotran_1_2) 		3 PHE A 350
TYR A 318
PRO A 173
 None
 1.02A 1mcnA-2o1bA:
undetectable
1mcnB-2o1bA:
undetectable
1mcnP-2o1bA:
undetectable		 1mcnA-2o1bA:
19.20
1mcnB-2o1bA:
19.20
1mcnP-2o1bA:
11.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p24 H-2 CLASS II
HISTOCOMPATIBILITY
ANTIGEN, A-U BETA
CHAIN

(Mus musculus) 		PF00969
(MHC_II_beta)
PF07654
(C1-set) 		3 PHE B 111
TYR B 126
PRO B 113
 None
 0.99A 1mcnA-2p24B:
13.4
1mcnB-2p24B:
13.2
1mcnP-2p24B:
undetectable		 1mcnA-2p24B:
25.66
1mcnB-2p24B:
25.66
1mcnP-2p24B:
0.87
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.
2qps ALPHA-AMYLASE TYPE A
ISOZYME

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		3 PHE A   8
TYR A  52
PRO A  41
 None
 1.10A 1mcnA-2qpsA:
undetectable
1mcnB-2qpsA:
undetectable
1mcnP-2qpsA:
undetectable		 1mcnA-2qpsA:
19.48
1mcnB-2qpsA:
19.48
1mcnP-2qpsA:
0.63
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.
2quy PENICILLIN ACYLASE

(Lysinibacillus
sphaericus) 		PF02275
(CBAH) 		3 PHE A 138
TYR A  82
PRO A 140
 None
 1.18A 1mcnA-2quyA:
undetectable
1mcnB-2quyA:
undetectable
1mcnP-2quyA:
undetectable		 1mcnA-2quyA:
20.47
1mcnB-2quyA:
20.47
1mcnP-2quyA:
0.95
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.
2ws9 P1
P1

(Equine rhinitis
A virus;
Equine rhinitis
A virus) 		no annotation
PF00073
(Rhv) 		3 PHE 3  40
TYR 3  89
PRO 1 221
 None
 0.99A 1mcnA-2ws93:
undetectable
1mcnB-2ws93:
undetectable
1mcnP-2ws93:
undetectable		 1mcnA-2ws93:
23.43
1mcnB-2ws93:
23.43
1mcnP-2ws93:
0.91
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.
2xsb HYALURONOGLUCOSAMINI
DASE

(Oceanicola
granulosus) 		PF07555
(NAGidase) 		3 PHE A 155
TYR A 174
PRO A 157
 None
 1.11A 1mcnA-2xsbA:
undetectable
1mcnB-2xsbA:
undetectable
1mcnP-2xsbA:
undetectable		 1mcnA-2xsbA:
17.11
1mcnB-2xsbA:
17.11
1mcnP-2xsbA:
0.22
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.
3att PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF01636
(APH) 		3 PHE A 212
TYR A  93
PRO A  91
 None
 1.05A 1mcnA-3attA:
undetectable
1mcnB-3attA:
undetectable
1mcnP-3attA:
undetectable		 1mcnA-3attA:
22.56
1mcnB-3attA:
22.56
1mcnP-3attA:
25.00
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.
3c9h ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Agrobacterium
fabrum) 		PF13416
(SBP_bac_8) 		3 PHE A 139
TYR A 257
PRO A 254
 None
 1.14A 1mcnA-3c9hA:
undetectable
1mcnB-3c9hA:
undetectable
1mcnP-3c9hA:
undetectable		 1mcnA-3c9hA:
20.48
1mcnB-3c9hA:
20.48
1mcnP-3c9hA:
0.81
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.
3ebv CHINITASE A

(Streptomyces
coelicolor) 		PF00704
(Glyco_hydro_18) 		3 PHE A 256
TYR A 262
PRO A 258
 None
 0.95A 1mcnA-3ebvA:
undetectable
1mcnB-3ebvA:
undetectable
1mcnP-3ebvA:
undetectable		 1mcnA-3ebvA:
20.93
1mcnB-3ebvA:
20.93
1mcnP-3ebvA:
0.33
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.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN

(Geobacillus
kaustophilus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		3 PHE A 788
TYR A 705
PRO A 702
 None
 1.18A 1mcnA-3f2bA:
undetectable
1mcnB-3f2bA:
undetectable
1mcnP-3f2bA:
undetectable		 1mcnA-3f2bA:
11.71
1mcnB-3f2bA:
11.71
1mcnP-3f2bA:
50.00
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.
3fge PUTATIVE FLAVIN
REDUCTASE WITH SPLIT
BARREL DOMAIN

(Shewanella
frigidimarina) 		PF01613
(Flavin_Reduct) 		3 PHE A 109
TYR A 118
PRO A 116
 None
 1.17A 1mcnA-3fgeA:
undetectable
1mcnB-3fgeA:
undetectable
1mcnP-3fgeA:
undetectable		 1mcnA-3fgeA:
21.37
1mcnB-3fgeA:
21.37
1mcnP-3fgeA:
3.45
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.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		3 PHE A 369
TYR A 365
PRO A 376
 None
 1.09A 1mcnA-3humA:
undetectable
1mcnB-3humA:
undetectable
1mcnP-3humA:
undetectable		 1mcnA-3humA:
21.48
1mcnB-3humA:
21.48
1mcnP-3humA:
0.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ism CG4930

(Drosophila
melanogaster) 		PF08785
(Ku_PK_bind) 		3 PHE C 157
TYR C 107
PRO C 138
 None
 0.87A 1mcnA-3ismC:
undetectable
1mcnB-3ismC:
undetectable
1mcnP-3ismC:
undetectable		 1mcnA-3ismC:
20.77
1mcnB-3ismC:
20.77
1mcnP-3ismC:
1.20
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.
3l4k DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		3 PHE A 869
TYR A 840
PRO A 843
 None
 0.87A 1mcnA-3l4kA:
undetectable
1mcnB-3l4kA:
undetectable
1mcnP-3l4kA:
undetectable		 1mcnA-3l4kA:
14.13
1mcnB-3l4kA:
14.13
1mcnP-3l4kA:
0.53
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.
3lkb PROBABLE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER, AMINO
ACID BINDING PROTEIN

(Thermus
thermophilus) 		PF13458
(Peripla_BP_6) 		3 PHE A 329
TYR A  34
PRO A 331
 None
 1.12A 1mcnA-3lkbA:
undetectable
1mcnB-3lkbA:
undetectable
1mcnP-3lkbA:
undetectable		 1mcnA-3lkbA:
21.28
1mcnB-3lkbA:
21.28
1mcnP-3lkbA:
1.31
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.
3m1u PUTATIVE
GAMMA-D-GLUTAMYL-L-D
IAMINO ACID
ENDOPEPTIDASE

(Desulfovibrio
vulgaris) 		PF00877
(NLPC_P60)
PF12912
(N_NLPC_P60)
PF12913
(SH3_6)
PF12914
(SH3_7) 		3 PHE A  88
TYR A 231
PRO A 191
 None
 1.07A 1mcnA-3m1uA:
undetectable
1mcnB-3m1uA:
undetectable
1mcnP-3m1uA:
undetectable		 1mcnA-3m1uA:
19.27
1mcnB-3m1uA:
19.27
1mcnP-3m1uA:
7.69
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.
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		3 PHE A 465
TYR A 473
PRO A 467
 None
 1.14A 1mcnA-3nyoA:
undetectable
1mcnB-3nyoA:
undetectable
1mcnP-3nyoA:
undetectable		 1mcnA-3nyoA:
16.17
1mcnB-3nyoA:
16.17
1mcnP-3nyoA:
0.67
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.
3p1z PUTATIVE
UNCHARACTERIZED
PROTEIN
TRNA-SPLICING
ENDONUCLEASE

(Aeropyrum
pernix;
Aeropyrum
pernix) 		PF01974
(tRNA_int_endo)
PF01974
(tRNA_int_endo)
PF02778
(tRNA_int_endo_N) 		3 PHE B 184
TYR A 110
PRO B 186
 None
 1.01A 1mcnA-3p1zB:
undetectable
1mcnB-3p1zB:
undetectable
1mcnP-3p1zB:
undetectable		 1mcnA-3p1zB:
22.71
1mcnB-3p1zB:
22.71
1mcnP-3p1zB:
1.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Legionella
pneumophila) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		3 PHE A   2
TYR A 400
PRO A   4
 None
 0.73A 1mcnA-3pfeA:
undetectable
1mcnB-3pfeA:
undetectable
1mcnP-3pfeA:
undetectable		 1mcnA-3pfeA:
20.04
1mcnB-3pfeA:
20.04
1mcnP-3pfeA:
1.75
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.
3sag EXOSOME COMPONENT 10

(Homo sapiens) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		3 PHE A 198
TYR A 382
PRO A 200
 PHE  A 198 ( 1.3A)
TYR  A 382 ( 1.3A)
PRO  A 200 ( 1.1A)
 1.15A 1mcnA-3sagA:
undetectable
1mcnB-3sagA:
undetectable
1mcnP-3sagA:
undetectable		 1mcnA-3sagA:
17.45
1mcnB-3sagA:
17.45
1mcnP-3sagA:
2.50
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.
3soa CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II
SUBUNIT ALPHA WITH A
BETA 7 LINKER

(Homo sapiens) 		PF00069
(Pkinase)
PF08332
(CaMKII_AD) 		3 PHE A 293
TYR A 179
PRO A 211
 None
 1.18A 1mcnA-3soaA:
undetectable
1mcnB-3soaA:
undetectable
1mcnP-3soaA:
undetectable		 1mcnA-3soaA:
16.44
1mcnB-3soaA:
16.44
1mcnP-3soaA:
0.45
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.
3t66 NICKEL ABC
TRANSPORTER
(NICKEL-BINDING
PROTEIN)

(Bacillus
halodurans) 		PF00496
(SBP_bac_5) 		3 PHE A 453
TYR A 397
PRO A 286
 None
 1.15A 1mcnA-3t66A:
undetectable
1mcnB-3t66A:
undetectable
1mcnP-3t66A:
undetectable		 1mcnA-3t66A:
18.16
1mcnB-3t66A:
18.16
1mcnP-3t66A:
1.27
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.
3u7g BIFUNCTIONAL
POLYNUCLEOTIDE
PHOSPHATASE/KINASE

(Mus musculus) 		PF08645
(PNK3P)
PF13671
(AAA_33) 		3 PHE A 340
TYR A 516
PRO A 342
 GOL  A   1 (-4.4A)
None
GOL  A   1 (-3.5A)
 0.81A 1mcnA-3u7gA:
undetectable
1mcnB-3u7gA:
undetectable
1mcnP-3u7gA:
undetectable		 1mcnA-3u7gA:
21.52
1mcnB-3u7gA:
21.52
1mcnP-3u7gA:
1.69
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.
3ua4 PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Caenorhabditis
elegans) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		3 PHE A 520
TYR A 447
PRO A 493
 None
 1.12A 1mcnA-3ua4A:
undetectable
1mcnB-3ua4A:
undetectable
1mcnP-3ua4A:
undetectable		 1mcnA-3ua4A:
16.26
1mcnB-3ua4A:
16.26
1mcnP-3ua4A:
1.85
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.
3ufk UNDA

(Shewanella sp.
HRCR_06) 		PF13435
(Cytochrome_C554) 		3 PHE A 234
TYR A 199
PRO A 230
 None
 1.03A 1mcnA-3ufkA:
4.2
1mcnB-3ufkA:
4.2
1mcnP-3ufkA:
undetectable		 1mcnA-3ufkA:
14.32
1mcnB-3ufkA:
14.32
1mcnP-3ufkA:
50.00
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.
3un6 HYPOTHETICAL PROTEIN
SAOUHSC_00137

(Staphylococcus
aureus) 		PF13379
(NMT1_2) 		3 PHE A 304
TYR A 291
PRO A 306
 None
 1.05A 1mcnA-3un6A:
undetectable
1mcnB-3un6A:
undetectable
1mcnP-3un6A:
undetectable		 1mcnA-3un6A:
20.46
1mcnB-3un6A:
20.46
1mcnP-3un6A:
2.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B

(Sinorhizobium
meliloti) 		PF00248
(Aldo_ket_red) 		3 PHE A 137
TYR A  78
PRO A 107
 None
 1.17A 1mcnA-3up8A:
undetectable
1mcnB-3up8A:
undetectable
1mcnP-3up8A:
undetectable		 1mcnA-3up8A:
20.72
1mcnB-3up8A:
20.72
1mcnP-3up8A:
5.56
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.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		3 PHE B 203
TYR B 368
PRO B 205
 None
 0.98A 1mcnA-3v0aB:
undetectable
1mcnB-3v0aB:
undetectable
1mcnP-3v0aB:
undetectable		 1mcnA-3v0aB:
10.25
1mcnB-3v0aB:
10.25
1mcnP-3v0aB:
3.77
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.
3vuo NTNHA

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		3 PHE A 203
TYR A 368
PRO A 205
 None
 0.86A 1mcnA-3vuoA:
undetectable
1mcnB-3vuoA:
undetectable
1mcnP-3vuoA:
undetectable		 1mcnA-3vuoA:
10.03
1mcnB-3vuoA:
10.03
1mcnP-3vuoA:
6.06
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.
3waj TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE

(Archaeoglobus
fulgidus) 		PF02516
(STT3) 		3 PHE A  68
TYR A 540
PRO A  70
 None
 1.04A 1mcnA-3wajA:
2.6
1mcnB-3wajA:
undetectable
1mcnP-3wajA:
undetectable		 1mcnA-3wajA:
14.30
1mcnB-3wajA:
14.30
1mcnP-3wajA:
0.23
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.
3x1o ROQUIN-1

(Homo sapiens) 		no annotation 3 PHE A 194
TYR A 308
PRO A 197
 None
 1.18A 1mcnA-3x1oA:
undetectable
1mcnB-3x1oA:
undetectable
1mcnP-3x1oA:
undetectable		 1mcnA-3x1oA:
23.01
1mcnB-3x1oA:
23.01
1mcnP-3x1oA:
0.48
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.
3zfp N-TERMINAL PROTEASE
NPRO

(Pestivirus H) 		PF05550
(Peptidase_C53) 		3 PHE A  33
TYR A  98
PRO A  23
 None
 0.96A 1mcnA-3zfpA:
undetectable
1mcnB-3zfpA:
undetectable
1mcnP-3zfpA:
undetectable		 1mcnA-3zfpA:
20.81
1mcnB-3zfpA:
20.81
1mcnP-3zfpA:
9.09
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.
4agv GALECTIN

(Cinachyrella) 		PF00337
(Gal-bind_lectin) 		3 PHE A  48
TYR A  21
PRO A  24
 None
 1.11A 1mcnA-4agvA:
undetectable
1mcnB-4agvA:
undetectable
1mcnP-4agvA:
undetectable		 1mcnA-4agvA:
22.79
1mcnB-4agvA:
22.79
1mcnP-4agvA:
25.00
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.
4b8a POLY(A) RIBONUCLEASE
POP2

(Saccharomyces
cerevisiae) 		PF04857
(CAF1) 		3 PHE B   7
TYR B  13
PRO B   9
 None
 0.90A 1mcnA-4b8aB:
undetectable
1mcnB-4b8aB:
undetectable
1mcnP-4b8aB:
undetectable		 1mcnA-4b8aB:
21.13
1mcnB-4b8aB:
21.13
1mcnP-4b8aB:
3.85
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.
4d7q RALF,
PROLINE/BETAINE
TRANSPORTER

(Legionella
pneumophila;
Rickettsia
prowazekii) 		PF01369
(Sec7) 		3 PHE A  16
TYR A 331
PRO A  20
 None
GOL  A1350 ( 2.2A)
NO3  A1348 (-4.0A)
 1.12A 1mcnA-4d7qA:
undetectable
1mcnB-4d7qA:
undetectable
1mcnP-4d7qA:
undetectable		 1mcnA-4d7qA:
18.62
1mcnB-4d7qA:
18.62
1mcnP-4d7qA:
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		3 PHE A 107
TYR A 128
PRO A 108
 None
 1.14A 1mcnA-4e3aA:
undetectable
1mcnB-4e3aA:
undetectable
1mcnP-4e3aA:
undetectable		 1mcnA-4e3aA:
19.83
1mcnB-4e3aA:
19.83
1mcnP-4e3aA:
2.67
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.
4eys MCCC FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF02016
(Peptidase_S66) 		3 PHE A 192
TYR A 145
PRO A 164
 None
 1.03A 1mcnA-4eysA:
undetectable
1mcnB-4eysA:
undetectable
1mcnP-4eysA:
undetectable		 1mcnA-4eysA:
19.42
1mcnB-4eysA:
19.42
1mcnP-4eysA:
3.39
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.
4fl0 AMINOTRANSFERASE
ALD1

(Arabidopsis
thaliana) 		PF00155
(Aminotran_1_2) 		3 PHE A 409
TYR A 378
PRO A 224
 None
 1.01A 1mcnA-4fl0A:
undetectable
1mcnB-4fl0A:
undetectable
1mcnP-4fl0A:
undetectable		 1mcnA-4fl0A:
20.35
1mcnB-4fl0A:
20.35
1mcnP-4fl0A:
2.90
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		3 PHE A 869
TYR A 840
PRO A 843
 None
 0.84A 1mcnA-4gfhA:
2.4
1mcnB-4gfhA:
undetectable
1mcnP-4gfhA:
undetectable		 1mcnA-4gfhA:
11.34
1mcnB-4gfhA:
11.34
1mcnP-4gfhA:
50.00
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.
4gwn MEPRIN A SUBUNIT
BETA

(Homo sapiens) 		PF00629
(MAM)
PF01400
(Astacin) 		3 PHE A 545
TYR A 454
PRO A 452
 NAG  A 713 (-3.5A)
MAN  A 717 (-3.9A)
NAG  A 713 (-4.6A)
 1.13A 1mcnA-4gwnA:
undetectable
1mcnB-4gwnA:
undetectable
1mcnP-4gwnA:
undetectable		 1mcnA-4gwnA:
17.59
1mcnB-4gwnA:
17.59
1mcnP-4gwnA:
12.50
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.
4h9k HOG CHOLERA VIRUS

(Pestivirus C) 		PF05550
(Peptidase_C53) 		3 PHE A  33
TYR A  98
PRO A  23
 None
 0.89A 1mcnA-4h9kA:
undetectable
1mcnB-4h9kA:
undetectable
1mcnP-4h9kA:
undetectable		 1mcnA-4h9kA:
20.85
1mcnB-4h9kA:
20.85
1mcnP-4h9kA:
7.14
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		3 PHE A 199
TYR A 329
PRO A 206
 None
OPE  A 502 (-4.5A)
None
 1.17A 1mcnA-4ineA:
undetectable
1mcnB-4ineA:
undetectable
1mcnP-4ineA:
undetectable		 1mcnA-4ineA:
18.46
1mcnB-4ineA:
18.46
1mcnP-4ineA:
0.44
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.
4j1g NUCLEOCAPSID

(Leanyer virus) 		PF00952
(Bunya_nucleocap) 		3 PHE A  20
TYR A 101
PRO A  22
 U  E   1 ( 3.6A)
None
U  E   1 ( 4.7A)
 1.13A 1mcnA-4j1gA:
undetectable
1mcnB-4j1gA:
undetectable
1mcnP-4j1gA:
undetectable		 1mcnA-4j1gA:
21.95
1mcnB-4j1gA:
21.95
1mcnP-4j1gA:
3.28
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.
4jox 13.6 KDA
INSECTICIDAL CRYSTAL
PROTEIN

(Bacillus
thuringiensis) 		PF06355
(Aegerolysin) 		3 PHE A  46
TYR A  63
PRO A  35
 None
 1.16A 1mcnA-4joxA:
2.2
1mcnB-4joxA:
undetectable
1mcnP-4joxA:
undetectable		 1mcnA-4joxA:
20.83
1mcnB-4joxA:
20.83
1mcnP-4joxA:
0.81
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		3 PHE A 195
TYR A 325
PRO A 202
 None
1SH  A 702 (-4.2A)
None
 1.15A 1mcnA-4kriA:
undetectable
1mcnB-4kriA:
undetectable
1mcnP-4kriA:
undetectable		 1mcnA-4kriA:
15.94
1mcnB-4kriA:
15.94
1mcnP-4kriA:
0.46
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.
4mb5 CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18)
PF16403
(DUF5011) 		3 PHE A 366
TYR A 404
PRO A 368
 None
 0.74A 1mcnA-4mb5A:
2.6
1mcnB-4mb5A:
undetectable
1mcnP-4mb5A:
undetectable		 1mcnA-4mb5A:
17.40
1mcnB-4mb5A:
17.40
1mcnP-4mb5A:
50.00
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.
4mb5 CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18)
PF16403
(DUF5011) 		3 PHE A 442
TYR A 480
PRO A 444
 None
 0.67A 1mcnA-4mb5A:
2.6
1mcnB-4mb5A:
undetectable
1mcnP-4mb5A:
undetectable		 1mcnA-4mb5A:
17.40
1mcnB-4mb5A:
17.40
1mcnP-4mb5A:
50.00
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.
4mjk CRISPR PROTEIN

(Archaeoglobus
fulgidus) 		PF09704
(Cas_Cas5d) 		3 PHE A  14
TYR A 201
PRO A  31
 None
 1.18A 1mcnA-4mjkA:
undetectable
1mcnB-4mjkA:
undetectable
1mcnP-4mjkA:
undetectable		 1mcnA-4mjkA:
20.59
1mcnB-4mjkA:
20.59
1mcnP-4mjkA:
1.10
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.
4nlb RIBOSOMAL RNA
PROCESSING PROTEIN 6

(Trypanosoma
brucei) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		3 PHE A 195
TYR A 340
PRO A 197
 None
 1.17A 1mcnA-4nlbA:
undetectable
1mcnB-4nlbA:
undetectable
1mcnP-4nlbA:
undetectable		 1mcnA-4nlbA:
23.38
1mcnB-4nlbA:
23.38
1mcnP-4nlbA:
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.
4p7l POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF14883
(GHL13) 		3 PHE A 356
TYR A 432
PRO A 402
 None
 0.94A 1mcnA-4p7lA:
undetectable
1mcnB-4p7lA:
undetectable
1mcnP-4p7lA:
undetectable		 1mcnA-4p7lA:
20.66
1mcnB-4p7lA:
20.66
1mcnP-4p7lA:
1.60
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.
4pv4 PROLINE
AMINOPEPTIDASE P II

(Yersinia pestis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		3 PHE A 217
TYR A 227
PRO A 225
 None
1PE  A 503 (-4.1A)
None
 1.06A 1mcnA-4pv4A:
undetectable
1mcnB-4pv4A:
undetectable
1mcnP-4pv4A:
undetectable		 1mcnA-4pv4A:
18.96
1mcnB-4pv4A:
18.96
1mcnP-4pv4A:
2.04
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.
4rcn LONG-CHAIN ACYL-COA
CARBOXYLASE

(Mycobacterium
avium) 		PF00289
(Biotin_carb_N)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		3 PHE A 927
TYR A 826
PRO A 745
 None
 1.18A 1mcnA-4rcnA:
undetectable
1mcnB-4rcnA:
undetectable
1mcnP-4rcnA:
undetectable		 1mcnA-4rcnA:
12.66
1mcnB-4rcnA:
12.66
1mcnP-4rcnA:
50.00
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.
4rwf MALTOSE TRANSPORTER
SUBUNIT, RECEPTOR
ACTIVITY-MODIFYING
PROTEIN 2,
CALCITONIN
GENE-RELATED PEPTIDE
TYPE 1 RECEPTOR
FUSION PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF02793
(HRM)
PF04901
(RAMP)
PF13416
(SBP_bac_8) 		3 PHE A1111
TYR A2049
PRO A1112
 None
 1.17A 1mcnA-4rwfA:
undetectable
1mcnB-4rwfA:
undetectable
1mcnP-4rwfA:
undetectable		 1mcnA-4rwfA:
16.70
1mcnB-4rwfA:
16.70
1mcnP-4rwfA:
4.65
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.
4wrm MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR

(Homo sapiens) 		PF00047
(ig)
PF13927
(Ig_3) 		3 PHE A 156
TYR A 100
PRO A 158
 None
 1.00A 1mcnA-4wrmA:
7.4
1mcnB-4wrmA:
9.1
1mcnP-4wrmA:
undetectable		 1mcnA-4wrmA:
20.66
1mcnB-4wrmA:
20.66
1mcnP-4wrmA:
0.20
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.
4z2a FURIN

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		3 PHE A 118
TYR A 110
PRO A 113
 None
 0.95A 1mcnA-4z2aA:
undetectable
1mcnB-4z2aA:
undetectable
1mcnP-4z2aA:
undetectable		 1mcnA-4z2aA:
19.65
1mcnB-4z2aA:
19.65
1mcnP-4z2aA:
3.77
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.
5a8r METHYL-COENZYME M
REDUCTASE II,
SUBUNIT BETA

(Methanothermobacter
marburgensis) 		PF02240
(MCR_gamma) 		3 PHE C 146
TYR C 178
PRO C 148
 None
 1.16A 1mcnA-5a8rC:
undetectable
1mcnB-5a8rC:
undetectable
1mcnP-5a8rC:
undetectable		 1mcnA-5a8rC:
19.63
1mcnB-5a8rC:
19.63
1mcnP-5a8rC:
3.45
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.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		3 PHE A 552
TYR A  34
PRO A 519
 None
 1.12A 1mcnA-5ah5A:
undetectable
1mcnB-5ah5A:
undetectable
1mcnP-5ah5A:
undetectable		 1mcnA-5ah5A:
16.12
1mcnB-5ah5A:
16.12
1mcnP-5ah5A:
2.67
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.
5c0y EXOSOME COMPLEX
EXONUCLEASE RRP6

(Saccharomyces
cerevisiae) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		3 PHE A 148
TYR A 307
PRO A 150
 None
 1.09A 1mcnA-5c0yA:
undetectable
1mcnB-5c0yA:
undetectable
1mcnP-5c0yA:
undetectable		 1mcnA-5c0yA:
20.00
1mcnB-5c0yA:
20.00
1mcnP-5c0yA:
6.25
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.
5cfa BONE
SIALOPROTEIN-BINDING
PROTEIN

(Staphylococcus
aureus) 		PF10425
(SdrG_C_C) 		3 PHE A  69
TYR A  96
PRO A  71
 None
 0.98A 1mcnA-5cfaA:
5.8
1mcnB-5cfaA:
1.2
1mcnP-5cfaA:
undetectable		 1mcnA-5cfaA:
21.89
1mcnB-5cfaA:
21.89
1mcnP-5cfaA:
3.03
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.
5dsy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP) 		3 PHE A 515
TYR A 546
PRO A 524
 None
 1.17A 1mcnA-5dsyA:
undetectable
1mcnB-5dsyA:
undetectable
1mcnP-5dsyA:
undetectable		 1mcnA-5dsyA:
21.28
1mcnB-5dsyA:
21.28
1mcnP-5dsyA:
9.09
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.
5e1b N-TERMINAL
XAA-PRO-LYS
N-METHYLTRANSFERASE
1

(Homo sapiens) 		PF05891
(Methyltransf_PK) 		3 PHE A 122
TYR A 129
PRO A 124
 None
 0.71A 1mcnA-5e1bA:
undetectable
1mcnB-5e1bA:
undetectable
1mcnP-5e1bA:
undetectable		 1mcnA-5e1bA:
18.04
1mcnB-5e1bA:
18.04
1mcnP-5e1bA:
11.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g23 TYPE-IV LIKE PILIN
TTHA1219

(Thermus
thermophilus) 		no annotation 3 PHE A 193
TYR A 179
PRO A 195
 None
 1.01A 1mcnA-5g23A:
undetectable
1mcnB-5g23A:
undetectable
1mcnP-5g23A:
undetectable		 1mcnA-5g23A:
23.51
1mcnB-5g23A:
23.51
1mcnP-5g23A:
2.60
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.
5kd5 METALLOPEPTIDASE

(Bacteroides
thetaiotaomicron) 		PF13402
(Peptidase_M60)
PF17291
(M60-like_N) 		3 PHE A 449
TYR A 333
PRO A 357
 None
 1.16A 1mcnA-5kd5A:
undetectable
1mcnB-5kd5A:
undetectable
1mcnP-5kd5A:
undetectable		 1mcnA-5kd5A:
18.05
1mcnB-5kd5A:
18.05
1mcnP-5kd5A:
11.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lcs GALLINACIN-7

(Gallus gallus) 		PF00711
(Defensin_beta) 		3 PHE A   3
TYR A  28
PRO A   5
 PCA  A   1 ( 4.8A)
None
PCA  A   1 ( 3.5A)
 1.01A 1mcnA-5lcsA:
undetectable
1mcnB-5lcsA:
undetectable
1mcnP-5lcsA:
undetectable		 1mcnA-5lcsA:
8.80
1mcnB-5lcsA:
8.80
1mcnP-5lcsA:
16.67
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.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		3 PHE A 214
TYR A 233
PRO A 216
 None
 1.05A 1mcnA-5m7rA:
undetectable
1mcnB-5m7rA:
undetectable
1mcnP-5m7rA:
undetectable		 1mcnA-5m7rA:
14.15
1mcnB-5m7rA:
14.15
1mcnP-5m7rA:
1.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5msn DCC1 PROTEIN

(Saccharomyces
cerevisiae) 		PF09724
(Dcc1) 		3 PHE A 223
TYR A 125
PRO A 225
 None
 0.97A 1mcnA-5msnA:
undetectable
1mcnB-5msnA:
undetectable
1mcnP-5msnA:
undetectable		 1mcnA-5msnA:
21.74
1mcnB-5msnA:
21.74
1mcnP-5msnA:
5.41
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.
5n28 METHYL-COENZYME M
REDUCTASE, GAMMA
SUBUNIT

(Methanotorris
formicicus) 		PF02240
(MCR_gamma) 		3 PHE C 147
TYR C 179
PRO C 149
 None
 1.06A 1mcnA-5n28C:
undetectable
1mcnB-5n28C:
undetectable
1mcnP-5n28C:
undetectable		 1mcnA-5n28C:
20.74
1mcnB-5n28C:
20.74
1mcnP-5n28C:
3.45
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.
5n28 METHYL-COENZYME M
REDUCTASE, GAMMA
SUBUNIT

(Methanotorris
formicicus) 		PF02240
(MCR_gamma) 		3 PHE C 147
TYR C 190
PRO C 149
 None
 0.92A 1mcnA-5n28C:
undetectable
1mcnB-5n28C:
undetectable
1mcnP-5n28C:
undetectable		 1mcnA-5n28C:
20.74
1mcnB-5n28C:
20.74
1mcnP-5n28C:
3.45
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.
5n6u BETA-MANNOSIDASE

(Dictyoglomus
thermophilum) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		3 PHE A 591
TYR A 264
PRO A 317
 None
 0.98A 1mcnA-5n6uA:
4.7
1mcnB-5n6uA:
3.5
1mcnP-5n6uA:
undetectable		 1mcnA-5n6uA:
12.40
1mcnB-5n6uA:
12.40
1mcnP-5n6uA:
0.46
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.
5op0 DNA POLYMERASE LIGD,
POLYMERASE DOMAIN

(Mycolicibacterium
smegmatis) 		no annotation 3 PHE B 149
TYR B 272
PRO B 269
 None
 1.01A 1mcnA-5op0B:
undetectable
1mcnB-5op0B:
undetectable
1mcnP-5op0B:
undetectable		 1mcnA-5op0B:
21.73
1mcnB-5op0B:
21.73
1mcnP-5op0B:
2.53
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.
5ty7 PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		no annotation 3 PHE A 369
TYR A 365
PRO A 376
 None
 1.11A 1mcnA-5ty7A:
undetectable
1mcnB-5ty7A:
undetectable
1mcnP-5ty7A:
undetectable		 1mcnA-5ty7A:
undetectable
1mcnB-5ty7A:
undetectable
1mcnP-5ty7A:
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.
5uhk O-GLCNACASE
TIM-BARREL DOMAIN

(Homo sapiens) 		PF07555
(NAGidase) 		3 PHE A 214
TYR A 233
PRO A 216
 None
 0.99A 1mcnA-5uhkA:
undetectable
1mcnB-5uhkA:
undetectable
1mcnP-5uhkA:
undetectable		 1mcnA-5uhkA:
20.11
1mcnB-5uhkA:
20.11
1mcnP-5uhkA:
2.35
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.
5uhp O-GLCNACASE
TIM-BARREL DOMAIN

(Homo sapiens) 		PF07555
(NAGidase) 		3 PHE A 214
TYR A 233
PRO A 216
 None
 1.12A 1mcnA-5uhpA:
undetectable
1mcnB-5uhpA:
undetectable
1mcnP-5uhpA:
undetectable		 1mcnA-5uhpA:
21.48
1mcnB-5uhpA:
21.48
1mcnP-5uhpA:
1.56
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.
5v8d BACILLUS CEREUS
PATB1

(Bacillus cereus) 		no annotation 3 PHE C 274
TYR C 212
PRO C 344
 None
 1.13A 1mcnA-5v8dC:
undetectable
1mcnB-5v8dC:
undetectable
1mcnP-5v8dC:
undetectable		 1mcnA-5v8dC:
18.21
1mcnB-5v8dC:
18.21
1mcnP-5v8dC:
0.84
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.
5v8e BACILLUS CEREUS
PATB1

(Bacillus cereus) 		no annotation 3 PHE A 274
TYR A 212
PRO A 344
 None
 1.11A 1mcnA-5v8eA:
undetectable
1mcnB-5v8eA:
undetectable
1mcnP-5v8eA:
undetectable		 1mcnA-5v8eA:
17.45
1mcnB-5v8eA:
17.45
1mcnP-5v8eA:
1.09
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.
5vvo PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		3 PHE A 214
TYR A 233
PRO A 216
 None
 1.05A 1mcnA-5vvoA:
undetectable
1mcnB-5vvoA:
undetectable
1mcnP-5vvoA:
undetectable		 1mcnA-5vvoA:
18.72
1mcnB-5vvoA:
18.72
1mcnP-5vvoA:
2.44
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.
5vzj EXOSOME COMPLEX
EXONUCLEASE RRP6

(Saccharomyces
cerevisiae) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		3 PHE J 148
TYR J 307
PRO J 150
 None
 1.11A 1mcnA-5vzjJ:
undetectable
1mcnB-5vzjJ:
undetectable
1mcnP-5vzjJ:
undetectable		 1mcnA-5vzjJ:
16.01
1mcnB-5vzjJ:
16.01
1mcnP-5vzjJ:
8.70
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.
6dub -

(-) 		no annotation 3 PHE A 177
TYR A 184
PRO A 179
 UNX  A 307 ( 4.5A)
None
None
 0.50A 1mcnA-6dubA:
undetectable
1mcnB-6dubA:
undetectable
1mcnP-6dubA:
undetectable		 1mcnA-6dubA:
undetectable
1mcnB-6dubA:
undetectable
1mcnP-6dubA:
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 3 PHE A 884
TYR A 922
PRO A 928
 None
 1.14A 1mcnA-6eojA:
undetectable
1mcnB-6eojA:
undetectable
1mcnP-6eojA:
undetectable		 1mcnA-6eojA:
11.18
1mcnB-6eojA:
11.18
1mcnP-6eojA:
40.00
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.
6gef TYPE IV SECRETION
SYSTEM PROTEIN DOTB

(Yersinia
pseudotuberculosis) 		no annotation 3 PHE A  21
TYR A  15
PRO A  18
 PHE  A  21 ( 1.3A)
TYR  A  15 ( 1.3A)
PRO  A  18 ( 1.1A)
 1.09A 1mcnA-6gefA:
undetectable
1mcnB-6gefA:
undetectable
1mcnP-6gefA:
undetectable		 1mcnA-6gefA:
undetectable
1mcnB-6gefA:
undetectable
1mcnP-6gefA:
undetectable