SIMILAR PATTERNS OF AMINO ACIDS FOR 6DM1_A_CYZA1302

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.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus) 		PF00026
(Asp) 		5 SER A  61
LEU A  38
ILE A  18
SER A  88
GLY A  19
 None
 1.36A 6dm1A-1b5fA:
undetectable
6dm1D-1b5fA:
undetectable		 6dm1A-1b5fA:
16.91
6dm1D-1b5fA:
16.91
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.
1fon PROCARBOXYPEPTIDASE
A-S6

(Bos taurus) 		PF00089
(Trypsin) 		5 LEU A 191
ASP A  93
ILE A 129
SER A 187
GLY A 185
 None
 1.22A 6dm1A-1fonA:
undetectable
6dm1D-1fonA:
undetectable		 6dm1A-1fonA:
15.65
6dm1D-1fonA:
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.
1hn0 CHONDROITIN ABC
LYASE I

(Proteus
vulgaris) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		5 SER A 474
LEU A 578
SER A 581
ASP A 525
GLY A 534
 None
 1.46A 6dm1A-1hn0A:
2.1
6dm1D-1hn0A:
2.8		 6dm1A-1hn0A:
6.61
6dm1D-1hn0A:
6.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB

(Escherichia
coli) 		PF08501
(Shikimate_dh_N) 		5 PRO A  23
SER A  20
ASP A 107
ILE A  10
GLY A  11
 None
None
PO4  A 302 (-3.0A)
None
None
 1.42A 6dm1A-1o9bA:
5.8
6dm1D-1o9bA:
3.2		 6dm1A-1o9bA:
13.59
6dm1D-1o9bA:
13.59
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 LEU A1365
ASP A1008
ILE A1342
SER A1312
GLY A1314
 None
 1.48A 6dm1A-1ofeA:
0.9
6dm1D-1ofeA:
2.6		 6dm1A-1ofeA:
4.64
6dm1D-1ofeA:
4.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pwe L-SERINE DEHYDRATASE

(Rattus
norvegicus) 		PF00291
(PALP) 		5 SER A 147
SER A  39
LYS A  30
ILE A  45
GLY A  46
 None
 0.90A 6dm1A-1pweA:
undetectable
6dm1D-1pweA:
undetectable		 6dm1A-1pweA:
14.19
6dm1D-1pweA:
14.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qdm PROPHYTEPSIN

(Hordeum vulgare) 		PF00026
(Asp)
PF03489
(SapB_2)
PF05184
(SapB_1) 		5 SER A  66
LEU A  42
ASP A 103
ILE A  22
SER A  93
 None
 1.41A 6dm1A-1qdmA:
undetectable
6dm1D-1qdmA:
undetectable		 6dm1A-1qdmA:
10.35
6dm1D-1qdmA:
10.35
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.
1smr RENIN

(Mus musculus) 		PF00026
(Asp) 		5 SER A  61
LEU A  38
ILE A  18
SER A  88
GLY A  19
 None
 1.32A 6dm1A-1smrA:
undetectable
6dm1D-1smrA:
undetectable		 6dm1A-1smrA:
11.88
6dm1D-1smrA:
11.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d0d 2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		5 LEU A 235
ASP A 224
ILE A 110
SER A 103
GLY A 107
 None
None
None
CL  A 400 (-2.9A)
None
 1.34A 6dm1A-2d0dA:
undetectable
6dm1D-2d0dA:
3.5		 6dm1A-2d0dA:
15.47
6dm1D-2d0dA:
15.47
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.
2dpl GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG] SUBUNIT B

(Pyrococcus
horikoshii) 		PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		5 SER A  28
LEU A  48
ILE A 125
SER A  34
GLY A 127
 None
 1.36A 6dm1A-2dplA:
undetectable
6dm1D-2dplA:
2.1		 6dm1A-2dplA:
14.01
6dm1D-2dplA:
14.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g1s RENIN

(Homo sapiens) 		PF00026
(Asp) 		5 LEU A 148
ASP A 177
ILE A  97
SER A   4
GLY A  95
 None
 1.31A 6dm1A-2g1sA:
undetectable
6dm1D-2g1sA:
undetectable		 6dm1A-2g1sA:
13.84
6dm1D-2g1sA:
13.84
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.
2hyt TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Pectobacterium
atrosepticum) 		PF00440
(TetR_N) 		5 SER A  78
LEU A 160
ASP A  71
ILE A 156
SER A 130
 None
EDO  A 197 ( 4.8A)
None
None
None
 1.24A 6dm1A-2hytA:
undetectable
6dm1D-2hytA:
2.0		 6dm1A-2hytA:
14.78
6dm1D-2hytA:
14.78
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT

(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF13247
(Fer4_11) 		5 LEU B 331
SER B 334
ASP A 121
SER B 338
GLY B 342
 None
 0.87A 6dm1A-2ivfB:
undetectable
6dm1D-2ivfB:
undetectable		 6dm1A-2ivfB:
12.46
6dm1D-2ivfB:
12.46
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.
2q9v MEMBRANE-ASSOCIATED
GUANYLATE KINASE, WW
AND PDZ
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00595
(PDZ) 		5 MET A 838
SER A 837
LEU A 882
ILE A 867
GLY A 885
 None
 1.26A 6dm1A-2q9vA:
undetectable
6dm1D-2q9vA:
undetectable		 6dm1A-2q9vA:
17.20
6dm1D-2q9vA:
17.20
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.
2qs9 RETINOBLASTOMA-BINDI
NG PROTEIN 9

(Homo sapiens) 		PF06821
(Ser_hydrolase) 		5 LEU A 174
ASP A 138
ILE A  72
SER A  75
GLY A  73
 None
 1.26A 6dm1A-2qs9A:
2.5
6dm1D-2qs9A:
5.0		 6dm1A-2qs9A:
13.33
6dm1D-2qs9A:
13.33
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.
2v7b BENZOATE-COENZYME A
LIGASE

(Paraburkholderia
xenovorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 SER A 387
LEU A 381
SER A 410
ILE A 332
GLY A 333
 None
None
None
None
BEZ  A1529 (-3.6A)
 1.13A 6dm1A-2v7bA:
3.8
6dm1D-2v7bA:
3.0		 6dm1A-2v7bA:
11.30
6dm1D-2v7bA:
11.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wsb GALACTITOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 LEU A 142
SER A  92
ASP A  42
ILE A 225
SER A  21
 NAD  A 500 (-3.7A)
NAD  A 500 (-3.1A)
NAD  A 500 (-2.8A)
None
NAD  A 500 (-2.7A)
 1.29A 6dm1A-2wsbA:
4.2
6dm1D-2wsbA:
4.1		 6dm1A-2wsbA:
14.74
6dm1D-2wsbA:
14.74
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.
2xub DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC3

(Homo sapiens) 		PF05645
(RNA_pol_Rpc82)
PF08221
(HTH_9) 		5 PRO A 298
LEU A 308
ASP A 260
ILE A 293
SER A 264
 None
 1.43A 6dm1A-2xubA:
undetectable
6dm1D-2xubA:
5.1		 6dm1A-2xubA:
11.09
6dm1D-2xubA:
11.09
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.
3cdi POLYNUCLEOTIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 SER A 460
LEU A 350
ILE A 556
SER A 465
GLY A 486
 None
 1.25A 6dm1A-3cdiA:
undetectable
6dm1D-3cdiA:
undetectable		 6dm1A-3cdiA:
10.86
6dm1D-3cdiA:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cer POSSIBLE
EXOPOLYPHOSPHATASE-L
IKE PROTEIN

(Bifidobacterium
longum) 		PF02541
(Ppx-GppA) 		5 SER A 131
ASP A  22
ILE A 229
SER A 232
GLY A 230
 None
SO4  A 346 (-3.0A)
None
SO4  A 345 ( 3.4A)
None
 1.48A 6dm1A-3cerA:
2.6
6dm1D-3cerA:
2.7		 6dm1A-3cerA:
15.15
6dm1D-3cerA:
15.15
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.
3ftj MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Aggregatibacter
actinomycetemcomitans) 		PF12704
(MacB_PCD) 		5 PRO A 439
LEU A 379
SER A 463
ASP A 404
ILE A 472
 None
 1.42A 6dm1A-3ftjA:
undetectable
6dm1D-3ftjA:
undetectable		 6dm1A-3ftjA:
18.91
6dm1D-3ftjA:
18.91
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.
3get HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF00155
(Aminotran_1_2) 		5 SER A 225
ASP A 190
ILE A  86
SER A  90
GLY A  87
 LLP  A 226 ( 2.4A)
LLP  A 226 ( 2.6A)
None
LLP  A 226 ( 2.9A)
None
 1.24A 6dm1A-3getA:
4.1
6dm1D-3getA:
2.7		 6dm1A-3getA:
13.92
6dm1D-3getA:
13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3get HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF00155
(Aminotran_1_2) 		5 SER A 225
LEU A  73
ILE A  86
SER A  90
GLY A  87
 LLP  A 226 ( 2.4A)
None
None
LLP  A 226 ( 2.9A)
None
 1.19A 6dm1A-3getA:
4.1
6dm1D-3getA:
2.7		 6dm1A-3getA:
13.92
6dm1D-3getA:
13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LEU A 275
SER A 274
ILE A 246
SER A 241
GLY A 245
 None
 1.17A 6dm1A-3glqA:
3.2
6dm1D-3glqA:
4.4		 6dm1A-3glqA:
11.84
6dm1D-3glqA:
11.84
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.
3gme POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 SER A 437
LEU A 327
ILE A 533
SER A 442
GLY A 463
 None
 1.22A 6dm1A-3gmeA:
undetectable
6dm1D-3gmeA:
undetectable		 6dm1A-3gmeA:
10.86
6dm1D-3gmeA:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h8l NADH OXIDASE

(Acidianus
ambivalens) 		PF07992
(Pyr_redox_2) 		5 MET A  87
SER A  86
LEU A 274
SER A 277
ILE A 288
 None
 1.15A 6dm1A-3h8lA:
undetectable
6dm1D-3h8lA:
undetectable		 6dm1A-3h8lA:
11.93
6dm1D-3h8lA:
11.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hwp PHLG

(Pseudomonas
protegens) 		no annotation 5 MET A 212
SER A 196
LEU A  61
ASP A 271
SER A 227
 None
 1.28A 6dm1A-3hwpA:
undetectable
6dm1D-3hwpA:
undetectable		 6dm1A-3hwpA:
15.47
6dm1D-3hwpA:
15.47
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.
3iwt 178AA LONG
HYPOTHETICAL
MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
B

(Sulfurisphaera
tokodaii) 		PF00994
(MoCF_biosynth) 		5 PRO A 154
LEU A 150
ASP A  64
ILE A  45
GLY A  42
 None
 1.36A 6dm1A-3iwtA:
6.4
6dm1D-3iwtA:
6.3		 6dm1A-3iwtA:
18.23
6dm1D-3iwtA:
18.23
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.
3j31 COAT PROTEIN

(Sulfolobus
turreted
icosahedral
virus 1) 		no annotation 5 PRO A  56
SER A  54
SER A 268
ILE A 220
GLY A 225
 None
 1.30A 6dm1A-3j31A:
undetectable
6dm1D-3j31A:
undetectable		 6dm1A-3j31A:
12.70
6dm1D-3j31A:
12.70
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.
3jcm U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP4

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 SER B 314
LEU B 410
ASP B 444
ILE B 373
GLY B 367
 None
 1.18A 6dm1A-3jcmB:
undetectable
6dm1D-3jcmB:
undetectable		 6dm1A-3jcmB:
9.73
6dm1D-3jcmB:
9.73
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.
3jwe MGLL PROTEIN

(Homo sapiens) 		PF12146
(Hydrolase_4) 		5 LEU A 260
ASP A 249
ILE A 139
SER A 132
GLY A 135
 None
None
None
F4P  A 314 (-1.2A)
None
 1.44A 6dm1A-3jweA:
2.5
6dm1D-3jweA:
3.5		 6dm1A-3jweA:
15.00
6dm1D-3jweA:
15.00
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.
3k3p D-ALANINE--D-ALANINE
LIGASE

(Streptococcus
mutans) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 PRO A 316
MET A 314
SER A 313
LEU A 285
ASP A 289
 None
 1.05A 6dm1A-3k3pA:
3.1
6dm1D-3k3pA:
3.0		 6dm1A-3k3pA:
14.60
6dm1D-3k3pA:
14.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kio RIBONUCLEASE H2
SUBUNIT A
RIBONUCLEASE H2
SUBUNIT C

(Mus musculus;
Mus musculus) 		PF01351
(RNase_HII)
PF08615
(RNase_H2_suC) 		5 SER C  62
LEU A 117
SER A 105
ASP C 105
GLY A  12
 None
 1.46A 6dm1A-3kioC:
undetectable
6dm1D-3kioC:
undetectable		 6dm1A-3kioC:
20.61
6dm1D-3kioC:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lws AROMATIC AMINO ACID
BETA-ELIMINATING
LYASE/THREONINE
ALDOLASE

(Exiguobacterium
sibiricum) 		PF01212
(Beta_elim_lyase) 		5 PRO A 143
SER A 286
LEU A 123
ILE A 147
GLY A 148
 None
 1.19A 6dm1A-3lwsA:
2.6
6dm1D-3lwsA:
3.8		 6dm1A-3lwsA:
14.08
6dm1D-3lwsA:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pf0 IMELYSIN-LIKE
PROTEIN

(Psychrobacter
arcticus) 		PF09375
(Peptidase_M75) 		5 MET A 215
LEU A 130
SER A  99
ILE A 193
GLY A 192
 None
 1.46A 6dm1A-3pf0A:
undetectable
6dm1D-3pf0A:
3.0		 6dm1A-3pf0A:
14.02
6dm1D-3pf0A:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pj0 LMO0305 PROTEIN

(Listeria
monocytogenes) 		PF01212
(Beta_elim_lyase) 		5 PRO A 145
SER A 288
LEU A 124
ILE A 149
GLY A 150
 None
 1.17A 6dm1A-3pj0A:
2.4
6dm1D-3pj0A:
4.0		 6dm1A-3pj0A:
13.35
6dm1D-3pj0A:
13.35
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.
3pzy MOG

(Mycobacterium
avium) 		PF00994
(MoCF_biosynth) 		5 PRO A 132
LEU A 128
ASP A  47
ILE A  28
GLY A  25
 None
 1.25A 6dm1A-3pzyA:
undetectable
6dm1D-3pzyA:
5.7		 6dm1A-3pzyA:
18.71
6dm1D-3pzyA:
18.71
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.
3s51 FANCONI ANEMIA GROUP
I PROTEIN HOMOLOG

(Mus musculus) 		PF14674
(FANCI_S1-cap)
PF14675
(FANCI_S1)
PF14676
(FANCI_S2)
PF14677
(FANCI_S3)
PF14678
(FANCI_S4)
PF14679
(FANCI_HD1)
PF14680
(FANCI_HD2) 		5 LEU A 218
SER A 221
ILE A 233
SER A 228
GLY A 232
 None
 1.09A 6dm1A-3s51A:
undetectable
6dm1D-3s51A:
3.0		 6dm1A-3s51A:
6.07
6dm1D-3s51A:
6.07
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.
3v4p INTEGRIN ALPHA-4

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 LEU A  10
SER A 424
ILE A 390
SER A 395
GLY A 387
 None
 1.44A 6dm1A-3v4pA:
undetectable
6dm1D-3v4pA:
undetectable		 6dm1A-3v4pA:
9.06
6dm1D-3v4pA:
9.06
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.
3vxi DYP

(Bjerkandera
adusta) 		PF04261
(Dyp_perox) 		5 SER A 330
LEU A 198
SER A 216
ILE A  11
GLY A  13
 None
 1.28A 6dm1A-3vxiA:
undetectable
6dm1D-3vxiA:
undetectable		 6dm1A-3vxiA:
10.14
6dm1D-3vxiA:
10.14
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.
3w1j L-SERYL-TRNA(SEC)
SELENIUM TRANSFERASE

(Aquifex
aeolicus) 		PF03841
(SelA) 		5 PRO A 386
LEU A 286
SER A 250
ASP A 247
ILE A  80
 None
LLP  A 285 ( 4.3A)
None
LLP  A 285 ( 3.0A)
LLP  A 285 (-4.6A)
 1.49A 6dm1A-3w1jA:
3.0
6dm1D-3w1jA:
3.0		 6dm1A-3w1jA:
11.58
6dm1D-3w1jA:
11.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w94 ENTEROPEPTIDASE-1

(Oryzias latipes) 		PF00089
(Trypsin) 		5 LEU A 946
ASP A 973
LYS A 795
ILE A 994
GLY A 995
 None
 1.28A 6dm1A-3w94A:
undetectable
6dm1D-3w94A:
undetectable		 6dm1A-3w94A:
13.54
6dm1D-3w94A:
13.54
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.
3wbh ALKALINE PHOSPHATASE

(Halomonas sp.
#593) 		PF00245
(Alk_phosphatase) 		5 PRO A 127
SER A  78
ASP A  59
ILE A  83
SER A  80
 None
 1.48A 6dm1A-3wbhA:
undetectable
6dm1D-3wbhA:
undetectable		 6dm1A-3wbhA:
10.93
6dm1D-3wbhA:
10.93
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.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		5 LEU A 251
SER A 209
ILE A 212
SER A 116
GLY A 213
 None
 1.48A 6dm1A-4a5qA:
undetectable
6dm1D-4a5qA:
undetectable		 6dm1A-4a5qA:
10.59
6dm1D-4a5qA:
10.59
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.
4bmd S-M CHECKPOINT
CONTROL PROTEIN RAD4

(Schizosaccharomyces
pombe) 		PF00533
(BRCT)
PF16589
(BRCT_2) 		5 SER A 392
LEU A 469
ASP A 480
ILE A 473
GLY A 476
 None
 1.39A 6dm1A-4bmdA:
undetectable
6dm1D-4bmdA:
2.1		 6dm1A-4bmdA:
14.72
6dm1D-4bmdA:
14.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4da9 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 LEU A 168
SER A 164
ASP A 160
LYS A 157
GLY A  93
 None
 1.48A 6dm1A-4da9A:
4.0
6dm1D-4da9A:
4.0		 6dm1A-4da9A:
13.69
6dm1D-4da9A:
13.69
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.
4dpy MEVALONATE
DIPHOSPHATE
DECARBOXYLASE

(Staphylococcus
epidermidis) 		PF00288
(GHMP_kinases_N) 		5 SER A 132
LEU A  34
SER A  35
ILE A 167
GLY A 166
 None
 1.48A 6dm1A-4dpyA:
undetectable
6dm1D-4dpyA:
2.1		 6dm1A-4dpyA:
14.63
6dm1D-4dpyA:
14.63
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.
4h0c PHOSPHOLIPASE/CARBOX
YLESTERASE

(Dyadobacter
fermentans) 		PF02230
(Abhydrolase_2) 		5 SER A 154
ASP A 159
ILE A 126
SER A 105
GLY A 103
 None
None
None
CIT  A 301 (-3.1A)
None
 1.15A 6dm1A-4h0cA:
2.9
6dm1D-4h0cA:
3.2		 6dm1A-4h0cA:
19.63
6dm1D-4h0cA:
19.63
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.
4h27 L-SERINE
DEHYDRATASE/L-THREON
INE DEAMINASE

(Homo sapiens) 		PF00291
(PALP) 		5 SER A 147
SER A  39
LYS A  30
ILE A  45
GLY A  46
 None
LLP  A  41 ( 2.9A)
None
LLP  A  41 ( 3.7A)
None
 1.00A 6dm1A-4h27A:
undetectable
6dm1D-4h27A:
undetectable		 6dm1A-4h27A:
13.57
6dm1D-4h27A:
13.57
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.
4ifd EXOSOME COMPLEX
COMPONENT RRP43

(Saccharomyces
cerevisiae) 		PF01138
(RNase_PH) 		5 LEU C  31
SER C 342
ILE C 331
SER C 345
GLY C 298
 None
 1.35A 6dm1A-4ifdC:
undetectable
6dm1D-4ifdC:
undetectable		 6dm1A-4ifdC:
11.73
6dm1D-4ifdC:
11.73
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.
4kg7 PEPTIDASE S8 AND
S53, SUBTILISIN,
KEXIN, SEDOLISIN

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 PRO A 148
SER A  84
LEU A 152
ILE A 134
GLY A 349
 None
 1.29A 6dm1A-4kg7A:
5.9
6dm1D-4kg7A:
0.9		 6dm1A-4kg7A:
11.81
6dm1D-4kg7A:
11.81
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.
4ky0 PROTON/GLUTAMATE
SYMPORTER, SDF
FAMILY

(Thermococcus
kodakarensis) 		PF00375
(SDF) 		5 PRO A  77
ASP A 298
ILE A 161
SER A  74
GLY A 164
 None
 1.42A 6dm1A-4ky0A:
undetectable
6dm1D-4ky0A:
2.0		 6dm1A-4ky0A:
13.44
6dm1D-4ky0A:
13.44
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.
4ky0 PROTON/GLUTAMATE
SYMPORTER, SDF
FAMILY

(Thermococcus
kodakarensis) 		PF00375
(SDF) 		5 PRO A  77
ASP A 298
LYS A 421
SER A  74
GLY A 164
 None
 1.32A 6dm1A-4ky0A:
undetectable
6dm1D-4ky0A:
2.0		 6dm1A-4ky0A:
13.44
6dm1D-4ky0A:
13.44
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.
4m47 DNA POLYMERASE BETA

(Homo sapiens) 		PF10391
(DNA_pol_lambd_f)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb)
PF14792
(DNA_pol_B_palm) 		5 LEU A 100
SER A  96
ASP A  91
ILE A 119
GLY A 118
 None
 1.36A 6dm1A-4m47A:
undetectable
6dm1D-4m47A:
3.1		 6dm1A-4m47A:
11.73
6dm1D-4m47A:
11.73
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.
4r12 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Dictyostelium
purpureum) 		PF05450
(Nicastrin) 		5 LEU A 205
SER A 201
ASP A  49
SER A 585
GLY A 570
 None
 1.49A 6dm1A-4r12A:
undetectable
6dm1D-4r12A:
undetectable		 6dm1A-4r12A:
8.53
6dm1D-4r12A:
8.53
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.
4r39 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13581
(HATPase_c_2) 		5 LEU A 242
SER A 245
ASP A 216
ILE A 303
GLY A 300
 None
None
None
None
ANP  A 402 (-3.3A)
 1.46A 6dm1A-4r39A:
undetectable
6dm1D-4r39A:
undetectable		 6dm1A-4r39A:
17.04
6dm1D-4r39A:
17.04
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.
4rk9 CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN MSME

(Bacillus
licheniformis) 		PF01547
(SBP_bac_1) 		5 LEU A 165
ASP A 298
ILE A 144
SER A 301
GLY A 143
 None
 0.93A 6dm1A-4rk9A:
3.6
6dm1D-4rk9A:
3.1		 6dm1A-4rk9A:
12.02
6dm1D-4rk9A:
12.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rsw HOPA1

(Pseudomonas
syringae) 		no annotation 5 PRO A 187
LEU A 174
LYS A 220
ILE A 204
GLY A 201
 None
 1.46A 6dm1A-4rswA:
undetectable
6dm1D-4rswA:
undetectable		 6dm1A-4rswA:
13.73
6dm1D-4rswA:
13.73
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.
4tr2 SUBTILISIN-LIKE 1
SERINE PROTEASE

(Plasmodium
vivax) 		PF00082
(Peptidase_S8) 		5 PRO A 529
MET A 550
LEU A 513
SER A 517
ASP A 202
 None
 1.34A 6dm1A-4tr2A:
5.9
6dm1D-4tr2A:
5.6		 6dm1A-4tr2A:
8.65
6dm1D-4tr2A:
8.65
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.
5aor DOSAGE COMPENSATION
REGULATOR

(Drosophila
melanogaster) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 SER A 920
SER A1000
ASP A 998
LYS A1149
ILE A 886
 None
 1.49A 6dm1A-5aorA:
undetectable
6dm1D-5aorA:
3.4		 6dm1A-5aorA:
5.36
6dm1D-5aorA:
5.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ayn SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER)

(Bdellovibrio
bacteriovorus) 		PF06963
(FPN1) 		5 PRO A 299
SER A 294
LEU A 307
SER A 311
SER A 355
 None
 1.47A 6dm1A-5aynA:
undetectable
6dm1D-5aynA:
3.1		 6dm1A-5aynA:
13.99
6dm1D-5aynA:
13.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b4x REELIN

(Mus musculus) 		PF07974
(EGF_2) 		5 PRO A2039
SER A2036
LEU A2054
SER A2077
SER A2298
 None
 1.48A 6dm1A-5b4xA:
undetectable
6dm1D-5b4xA:
undetectable		 6dm1A-5b4xA:
7.63
6dm1D-5b4xA:
7.63
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.
5d39 SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION 6

(Homo sapiens) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind) 		5 SER A 531
LEU A 615
ILE A 606
SER A 627
GLY A 603
 None
 1.35A 6dm1A-5d39A:
undetectable
6dm1D-5d39A:
2.3		 6dm1A-5d39A:
11.60
6dm1D-5d39A:
11.60
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.
5h6s AMIDASE

(Microbacterium
sp. HM58-2) 		PF01425
(Amidase) 		5 PRO A  76
LEU A  72
ASP A 105
ILE A 170
GLY A 171
 None
 1.44A 6dm1A-5h6sA:
undetectable
6dm1D-5h6sA:
2.5		 6dm1A-5h6sA:
8.94
6dm1D-5h6sA:
8.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hqn SPHINGOMYELIN
PHOSPHODIESTERASE

(Mus musculus) 		PF00149
(Metallophos) 		5 PRO A 312
SER A 377
LEU A 294
ILE A 277
GLY A 275
 None
 1.49A 6dm1A-5hqnA:
undetectable
6dm1D-5hqnA:
undetectable		 6dm1A-5hqnA:
10.11
6dm1D-5hqnA:
10.11
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.
5ip7 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB3
DNA-DIRECTED RNA
POLYMERASES I, II,
AND III SUBUNIT
RPABC5

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
PF01194
(RNA_pol_N) 		5 LEU C 118
SER C 115
ASP J  16
ILE C  46
GLY C  68
 None
 1.42A 6dm1A-5ip7C:
undetectable
6dm1D-5ip7C:
undetectable		 6dm1A-5ip7C:
14.29
6dm1D-5ip7C:
14.29
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.
5ip7 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB3
DNA-DIRECTED RNA
POLYMERASES I, II,
AND III SUBUNIT
RPABC5

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
PF01194
(RNA_pol_N) 		5 SER C 237
LEU C 118
SER C 115
ASP J  16
ILE C  46
 None
 1.46A 6dm1A-5ip7C:
undetectable
6dm1D-5ip7C:
undetectable		 6dm1A-5ip7C:
14.29
6dm1D-5ip7C:
14.29
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 LEU A 205
SER A 208
ILE A 247
SER A 217
GLY A 261
 None
 1.32A 6dm1A-5kf7A:
undetectable
6dm1D-5kf7A:
undetectable		 6dm1A-5kf7A:
5.15
6dm1D-5kf7A:
5.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l1b GLUTAMATE RECEPTOR
2,GLUTAMATE RECEPTOR
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 MET A 496
SER A 497
LEU A 751
ASP A 760
LYS A 763
 None
 0.99A 6dm1A-5l1bA:
40.4
6dm1D-5l1bA:
40.1		 6dm1A-5l1bA:
100.00
6dm1D-5l1bA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nfg PROCARDOSIN-B,PROCAR
DOSIN-B

(Cynara
cardunculus) 		no annotation 5 SER A 110
LEU A  86
ILE A  66
SER A 137
GLY A  67
 None
 1.30A 6dm1A-5nfgA:
undetectable
6dm1D-5nfgA:
undetectable		 6dm1A-5nfgA:
11.50
6dm1D-5nfgA:
11.50
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.
5w0a GLUCANASE

(Trichoderma
harzianum) 		no annotation 5 PRO A 294
LEU A 302
SER A 213
ILE A 290
GLY A 225
 PRO  A 294 ( 1.1A)
LEU  A 302 ( 0.6A)
SER  A 213 ( 0.0A)
ILE  A 290 ( 0.7A)
GLY  A 225 ( 0.0A)
 1.10A 6dm1A-5w0aA:
undetectable
6dm1D-5w0aA:
undetectable		 6dm1A-5w0aA:
20.93
6dm1D-5w0aA:
20.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wel CHIMERA OF GLUTAMATE
RECEPTOR 2, GERM
CELL-SPECIFIC GENE
1-LIKE PROTEIN

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF07803
(GSG-1)
PF10613
(Lig_chan-Glu_bd) 		7 PRO A 494
MET A 496
SER A 497
LEU A 751
SER A 754
ASP A 760
LYS A 763
 None
 0.75A 6dm1A-5welA:
53.6
6dm1D-5welA:
53.1		 6dm1A-5welA:
100.00
6dm1D-5welA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		7 PRO A 494
MET A 496
SER A 497
LEU A 751
SER A 754
ASP A 760
LYS A 763
 CYZ  A1302 (-4.5A)
CYZ  A1302 (-4.3A)
CYZ  A1302 (-3.2A)
None
CYZ  A1302 ( 4.1A)
CYZ  A1302 (-3.8A)
CYZ  A1302 (-2.9A)
 0.34A 6dm1A-5weoA:
56.1
6dm1D-5weoA:
55.9		 6dm1A-5weoA:
100.00
6dm1D-5weoA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xau LAMININ SUBUNIT
ALPHA-5

(Homo sapiens) 		PF02210
(Laminin_G_2)
PF06009
(Laminin_II) 		5 SER A3024
LEU A3103
SER A2944
ILE A3094
GLY A3093
 None
 1.23A 6dm1A-5xauA:
undetectable
6dm1D-5xauA:
undetectable		 6dm1A-5xauA:
8.30
6dm1D-5xauA:
8.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yv5 ATPASE RIL

(Pyrococcus
furiosus) 		no annotation 5 LEU A 273
SER A 277
LYS A  97
ILE A 303
GLY A 302
 None
 1.40A 6dm1A-5yv5A:
undetectable
6dm1D-5yv5A:
undetectable		 6dm1A-5yv5A:
undetectable
6dm1D-5yv5A:
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.
6d6k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Acinetobacter
baumannii) 		no annotation 5 SER A 439
LEU A 329
ILE A 535
SER A 444
GLY A 465
 None
 1.08A 6dm1A-6d6kA:
undetectable
6dm1D-6d6kA:
undetectable		 6dm1A-6d6kA:
18.82
6dm1D-6d6kA:
18.82