SIMILAR PATTERNS OF AMINO ACIDS FOR 3N61_A_H4BA760_1

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.
1edz 5,10-METHYLENETETRAH
YDROFOLATE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		4 VAL A 120
VAL A 114
PHE A  42
GLU A 121
 None
 1.18A 3n61A-1edzA:
0.5
3n61B-1edzA:
0.7		 3n61A-1edzA:
22.27
3n61B-1edzA:
22.27
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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 VAL A  41
TRP A 521
PHE A 501
GLU A 519
 None
 1.18A 3n61A-1flgA:
0.0
3n61B-1flgA:
0.0		 3n61A-1flgA:
19.84
3n61B-1flgA:
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.
1g55 DNA CYTOSINE
METHYLTRANSFERASE
DNMT2

(Homo sapiens) 		PF00145
(DNA_methylase) 		4 VAL A  38
VAL A  13
PHE A 360
GLU A  41
 None
SAH  A 392 (-3.8A)
None
None
 1.33A 3n61A-1g55A:
0.2
3n61B-1g55A:
0.0		 3n61A-1g55A:
21.49
3n61B-1g55A:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hqo URE2 PROTEIN

(Saccharomyces
cerevisiae) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 VAL A 334
VAL A 299
TRP A 337
GLU A 260
 None
 1.04A 3n61A-1hqoA:
0.5
3n61B-1hqoA:
0.5		 3n61A-1hqoA:
19.28
3n61B-1hqoA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m2b [2FE-2S] FERREDOXIN

(Aquifex
aeolicus) 		no annotation 4 VAL A  96
VAL A  77
PHE A  34
GLU A  84
 None
 1.46A 3n61A-1m2bA:
undetectable
3n61B-1m2bA:
undetectable		 3n61A-1m2bA:
14.97
3n61B-1m2bA:
14.97
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.
1mhz METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox) 		4 VAL D  28
TRP D  31
PHE D  35
GLU D 132
 None
 1.46A 3n61A-1mhzD:
0.0
3n61B-1mhzD:
0.0		 3n61A-1mhzD:
20.85
3n61B-1mhzD:
20.85
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.
1rpm RECEPTOR PROTEIN
TYROSINE PHOSPHATASE
MU

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 VAL A1145
VAL A1138
PHE A 907
GLU A1141
 None
 1.42A 3n61A-1rpmA:
0.0
3n61B-1rpmA:
0.0		 3n61A-1rpmA:
21.03
3n61B-1rpmA:
21.03
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.
1s7h YKOF

(Bacillus
subtilis) 		PF07615
(Ykof) 		4 VAL A 147
VAL A 137
PHE A 119
GLU A 155
 None
 1.50A 3n61A-1s7hA:
1.7
3n61B-1s7hA:
0.0		 3n61A-1s7hA:
20.24
3n61B-1s7hA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uhg OVALBUMIN

(Gallus gallus) 		PF00079
(Serpin) 		4 VAL A 296
VAL A  56
PHE A  10
GLU A  17
 None
 1.49A 3n61A-1uhgA:
0.0
3n61B-1uhgA:
0.0		 3n61A-1uhgA:
21.31
3n61B-1uhgA:
21.31
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.
1vmk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermotoga
maritima) 		PF01048
(PNP_UDP_1) 		4 VAL A 221
TRP A 162
PHE A 265
GLU A 161
 None
 1.45A 3n61A-1vmkA:
undetectable
3n61B-1vmkA:
undetectable		 3n61A-1vmkA:
18.81
3n61B-1vmkA:
18.81
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.
1xn6 HYPOTHETICAL PROTEIN
BC4709

(Bacillus cereus) 		PF08327
(AHSA1) 		4 VAL A  27
VAL A 140
TRP A  36
PHE A  16
 None
 1.07A 3n61A-1xn6A:
undetectable
3n61B-1xn6A:
undetectable		 3n61A-1xn6A:
15.33
3n61B-1xn6A:
15.33
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.
1zvd SMAD UBIQUITINATION
REGULATORY FACTOR 2

(Homo sapiens) 		PF00632
(HECT) 		4 VAL A 397
TRP A 441
PHE A 485
GLU A 405
 None
 1.46A 3n61A-1zvdA:
undetectable
3n61B-1zvdA:
undetectable		 3n61A-1zvdA:
21.29
3n61B-1zvdA:
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.
2b4x ANTITHROMBIN-III

(Homo sapiens) 		PF00079
(Serpin) 		4 VAL I 375
TRP I 225
PHE I 274
GLU I 378
 None
 1.48A 3n61A-2b4xI:
undetectable
3n61B-2b4xI:
undetectable		 3n61A-2b4xI:
22.01
3n61B-2b4xI:
22.01
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.
2bl0 MAJOR PLASMODIAL
MYOSIN HEAVY CHAIN
MYOSIN REGULATORY
LIGHT CHAIN

(Physarum
polycephalum) 		PF00036
(EF-hand_1)
PF00612
(IQ)
PF13499
(EF-hand_7) 		4 VAL A 786
VAL B 135
PHE B  82
GLU B  77
 None
 1.34A 3n61A-2bl0A:
undetectable
3n61B-2bl0A:
undetectable		 3n61A-2bl0A:
10.75
3n61B-2bl0A:
10.75
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.
2d4e 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
SEMIALDEHYDE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		4 VAL A 326
VAL A 294
PHE A 321
GLU A 327
 None
 1.24A 3n61A-2d4eA:
undetectable
3n61B-2d4eA:
undetectable		 3n61A-2d4eA:
23.19
3n61B-2d4eA:
23.19
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.
2jvo NUCLEOLAR PROTEIN 3

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1) 		4 VAL A  43
VAL A  61
PHE A  52
GLU A  47
 None
 1.15A 3n61A-2jvoA:
undetectable
3n61B-2jvoA:
undetectable		 3n61A-2jvoA:
13.56
3n61B-2jvoA:
13.56
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.
2khd UNCHARACTERIZED
PROTEIN VC_A0919

(Vibrio cholerae) 		PF04175
(DUF406) 		4 VAL A  58
VAL A  62
PHE A  80
GLU A  87
 None
 1.34A 3n61A-2khdA:
undetectable
3n61B-2khdA:
undetectable		 3n61A-2khdA:
14.80
3n61B-2khdA:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o3a UPF0106 PROTEIN
AF_0751

(Archaeoglobus
fulgidus) 		PF01994
(Trm56) 		4 VAL A 130
VAL A   5
PHE A  36
GLU A 129
 None
 1.46A 3n61A-2o3aA:
undetectable
3n61B-2o3aA:
undetectable		 3n61A-2o3aA:
16.98
3n61B-2o3aA:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2odp COMPLEMENT C2

(Homo sapiens) 		PF00089
(Trypsin)
PF00092
(VWA) 		4 VAL A 621
VAL A 639
PHE A 629
GLU A 620
 None
 1.44A 3n61A-2odpA:
undetectable
3n61B-2odpA:
undetectable		 3n61A-2odpA:
20.90
3n61B-2odpA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ovi HYPOTHETICAL PROTEIN
CHUX

(Escherichia
coli) 		PF06228
(ChuX_HutX) 		4 VAL A  20
VAL A  32
PHE A   9
GLU A  23
 None
 1.46A 3n61A-2oviA:
undetectable
3n61B-2oviA:
undetectable		 3n61A-2oviA:
18.75
3n61B-2oviA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qyt 2-DEHYDROPANTOATE
2-REDUCTASE

(Porphyromonas
gingivalis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		4 VAL A 296
VAL A 287
PHE A 238
GLU A 236
 None
 1.31A 3n61A-2qytA:
undetectable
3n61B-2qytA:
undetectable		 3n61A-2qytA:
22.89
3n61B-2qytA:
22.89
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.
2rtt CHIC

(Streptomyces
coelicolor) 		PF00553
(CBM_2) 		4 VAL A  37
TRP A  22
PHE A  41
GLU A  38
 None
 1.32A 3n61A-2rttA:
undetectable
3n61B-2rttA:
undetectable		 3n61A-2rttA:
15.95
3n61B-2rttA:
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.
2vpw THIOSULFATE
REDUCTASE

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 VAL A 315
VAL A 267
TRP A 264
GLU A 318
 None
 1.05A 3n61A-2vpwA:
undetectable
3n61B-2vpwA:
undetectable		 3n61A-2vpwA:
20.78
3n61B-2vpwA:
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.
2vy0 ENDO-BETA-1,3-GLUCAN
ASE

(Pyrococcus
furiosus) 		PF00722
(Glyco_hydro_16) 		4 VAL A 245
TRP A 252
PHE A 254
GLU A 251
 None
None
None
MRD  A1301 (-4.3A)
 1.45A 3n61A-2vy0A:
undetectable
3n61B-2vy0A:
undetectable		 3n61A-2vy0A:
19.67
3n61B-2vy0A:
19.67
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.
2xqx ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D

(Streptococcus
pneumoniae) 		PF00754
(F5_F8_type_C) 		4 VAL A 811
TRP A 840
PHE A 816
GLU A 826
 None
 1.49A 3n61A-2xqxA:
undetectable
3n61B-2xqxA:
undetectable		 3n61A-2xqxA:
14.93
3n61B-2xqxA:
14.93
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.
2z11 RIBOSOMAL-PROTEIN-AL
ANINE
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF13302
(Acetyltransf_3) 		4 VAL A  64
TRP A  66
PHE A   4
GLU A   6
 None
 1.42A 3n61A-2z11A:
undetectable
3n61B-2z11A:
undetectable		 3n61A-2z11A:
17.58
3n61B-2z11A:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b7f GLYCOSYL HYDROLASE,
BNR REPEAT

(Cupriavidus
pinatubonensis) 		no annotation 4 VAL A 314
TRP A 293
TRP A 374
GLU A 372
 None
None
None
EDO  A 404 ( 3.8A)
 1.40A 3n61A-3b7fA:
undetectable
3n61B-3b7fA:
undetectable		 3n61A-3b7fA:
21.41
3n61B-3b7fA:
21.41
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.
3ddl XANTHORHODOPSIN

(Salinibacter
ruber) 		PF01036
(Bac_rhodopsin) 		4 VAL A  16
TRP A  70
PHE A  88
GLU A  71
 None
 1.50A 3n61A-3ddlA:
undetectable
3n61B-3ddlA:
undetectable		 3n61A-3ddlA:
20.14
3n61B-3ddlA:
20.14
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.
3g1n E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		PF00632
(HECT) 		4 VAL A4019
VAL A4026
TRP A4065
GLU A4033
 None
 1.38A 3n61A-3g1nA:
undetectable
3n61B-3g1nA:
undetectable		 3n61A-3g1nA:
21.38
3n61B-3g1nA:
21.38
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.
3jav INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Rattus
norvegicus) 		PF00520
(Ion_trans)
PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08454
(RIH_assoc)
PF08709
(Ins145_P3_rec) 		4 VAL A 284
VAL A 286
PHE A 223
GLU A 283
 None
 1.39A 3n61A-3javA:
undetectable
3n61B-3javA:
undetectable		 3n61A-3javA:
9.64
3n61B-3javA:
9.64
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.
3kxa PUTATIVE
UNCHARACTERIZED
PROTEIN

(Neisseria
gonorrhoeae) 		PF01381
(HTH_3) 		4 VAL A 114
VAL A 105
PHE A  65
GLU A 118
 None
 1.02A 3n61A-3kxaA:
undetectable
3n61B-3kxaA:
undetectable		 3n61A-3kxaA:
17.40
3n61B-3kxaA:
17.40
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.
3l3p IPAH9.8

(Shigella
flexneri) 		PF14496
(NEL) 		4 VAL A 309
VAL A 258
TRP A 261
PHE A 286
 None
 1.47A 3n61A-3l3pA:
3.1
3n61B-3l3pA:
3.3		 3n61A-3l3pA:
20.09
3n61B-3l3pA:
20.09
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.
3p94 GDSL-LIKE LIPASE

(Parabacteroides
distasonis) 		PF13472
(Lipase_GDSL_2) 		4 VAL A 127
VAL A 140
PHE A  89
GLU A 131
 None
 1.49A 3n61A-3p94A:
0.9
3n61B-3p94A:
undetectable		 3n61A-3p94A:
17.37
3n61B-3p94A:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r4z GLYCOSYL HYDROLASE
FAMILY 32, N
TERMINAL

(Saccharophagus
degradans) 		PF04616
(Glyco_hydro_43) 		4 VAL A 130
VAL A  94
TRP A  66
GLU A 129
 None
 1.18A 3n61A-3r4zA:
undetectable
3n61B-3r4zA:
undetectable		 3n61A-3r4zA:
20.59
3n61B-3r4zA:
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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 VAL A 149
TRP A 146
PHE A 162
GLU A 187
 None
 1.29A 3n61A-3rjyA:
1.5
3n61B-3rjyA:
1.1		 3n61A-3rjyA:
20.09
3n61B-3rjyA:
20.09
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.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 VAL A 240
TRP A 239
PHE A 305
GLU A 265
 None
 1.38A 3n61A-3ti8A:
undetectable
3n61B-3ti8A:
undetectable		 3n61A-3ti8A:
22.64
3n61B-3ti8A:
22.64
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.
3vv4 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Thermosynechococcus
elongatus) 		PF01590
(GAF) 		4 VAL A  72
TRP A  71
PHE A  67
GLU A  73
 None
PVG  A 201 (-3.6A)
None
None
 1.07A 3n61A-3vv4A:
undetectable
3n61B-3vv4A:
0.4		 3n61A-3vv4A:
19.24
3n61B-3vv4A:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zog FMN-BINDING PROTEIN

(Pyrococcus
horikoshii) 		PF01613
(Flavin_Reduct) 		4 VAL A 132
VAL A  41
PHE A  61
GLU A 112
 None
 1.18A 3n61A-3zogA:
undetectable
3n61B-3zogA:
undetectable		 3n61A-3zogA:
17.95
3n61B-3zogA:
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.
4c1o BETA-XYLOSIDASE

(Parageobacillus
thermoglucosidasius) 		PF03512
(Glyco_hydro_52) 		4 VAL A 384
VAL A 370
PHE A 374
GLU A 376
 None
 1.47A 3n61A-4c1oA:
undetectable
3n61B-4c1oA:
undetectable		 3n61A-4c1oA:
20.00
3n61B-4c1oA:
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.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		4 VAL A 142
VAL A 148
PHE A 129
GLU A 115
 None
 1.50A 3n61A-4dykA:
0.3
3n61B-4dykA:
0.1		 3n61A-4dykA:
23.24
3n61B-4dykA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 VAL B 351
TRP B 355
PHE B 327
GLU B 424
 None
 1.01A 3n61A-4l37B:
undetectable
3n61B-4l37B:
undetectable		 3n61A-4l37B:
20.83
3n61B-4l37B:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l95 GAMMA-GLUTAMYL
HYDROLASE

(Danio rerio) 		no annotation 4 VAL E  45
VAL E 249
PHE E  37
GLU E  39
 None
 1.09A 3n61A-4l95E:
undetectable
3n61B-4l95E:
undetectable		 3n61A-4l95E:
19.10
3n61B-4l95E:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p5w CALCIUM-BINDING
MITOCHONDRIAL
CARRIER PROTEIN
ARALAR2,CALCIUM-BIND
ING MITOCHONDRIAL
CARRIER PROTEIN
ARALAR2

(Homo sapiens) 		no annotation 4 VAL A 264
VAL A 255
PHE A 273
GLU A 268
 None
 1.21A 3n61A-4p5wA:
undetectable
3n61B-4p5wA:
undetectable		 3n61A-4p5wA:
20.91
3n61B-4p5wA:
20.91
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.
4pj3 INTRON-BINDING
PROTEIN AQUARIUS

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12)
PF16399
(Aquarius_N) 		4 VAL A 592
VAL A 567
PHE A 583
GLU A 430
 None
 1.32A 3n61A-4pj3A:
undetectable
3n61B-4pj3A:
undetectable		 3n61A-4pj3A:
13.97
3n61B-4pj3A:
13.97
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.
4puf E3 UBIQUITIN-PROTEIN
LIGASE SLRP

(Salmonella
enterica) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		4 VAL A 518
VAL A 469
TRP A 472
PHE A 496
 None
 1.40A 3n61A-4pufA:
undetectable
3n61B-4pufA:
undetectable		 3n61A-4pufA:
21.54
3n61B-4pufA:
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.
4u3v POLYKETIDE SYNTHASE
PKSR

(Bacillus
subtilis) 		PF14765
(PS-DH) 		4 VAL A  19
TRP A 140
PHE A 144
GLU A 139
 None
 1.04A 3n61A-4u3vA:
undetectable
3n61B-4u3vA:
undetectable		 3n61A-4u3vA:
20.81
3n61B-4u3vA:
20.81
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.
4xg1 DIAMINOPIMELATE
DECARBOXYLASE

(Psychromonas
ingrahamii) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 VAL A 395
VAL A  19
PHE A  13
GLU A  15
 None
 1.37A 3n61A-4xg1A:
undetectable
3n61B-4xg1A:
undetectable		 3n61A-4xg1A:
21.56
3n61B-4xg1A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 VAL A 305
TRP A 263
PHE A 264
GLU A 266
 None
 1.13A 3n61A-4xj6A:
undetectable
3n61B-4xj6A:
undetectable		 3n61A-4xj6A:
21.06
3n61B-4xj6A:
21.06
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.
4xly UNCHARACTERIZED
PROTEIN BLR2150

(Bradyrhizobium
diazoefficiens) 		no annotation 4 VAL A  27
VAL A  11
PHE A  21
GLU A  28
 None
 1.49A 3n61A-4xlyA:
undetectable
3n61B-4xlyA:
undetectable		 3n61A-4xlyA:
19.95
3n61B-4xlyA:
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.
4xpu ENDONUCLEASE V

(Escherichia
coli) 		PF04493
(Endonuclease_5) 		4 VAL A  36
VAL A 102
PHE A 119
GLU A  82
 None
 1.42A 3n61A-4xpuA:
undetectable
3n61B-4xpuA:
undetectable		 3n61A-4xpuA:
20.28
3n61B-4xpuA:
20.28
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.
4yhs MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY

(Bradyrhizobium
sp. BTAi1) 		PF13407
(Peripla_BP_4) 		4 VAL A 299
VAL A 147
TRP A  72
PHE A  64
 None
 1.31A 3n61A-4yhsA:
undetectable
3n61B-4yhsA:
undetectable		 3n61A-4yhsA:
22.92
3n61B-4yhsA:
22.92
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.
4yj1 UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09818
(ABC_ATPase) 		4 VAL A 362
VAL A 511
PHE A 609
GLU A 397
 None
 1.35A 3n61A-4yj1A:
undetectable
3n61B-4yj1A:
undetectable		 3n61A-4yj1A:
22.75
3n61B-4yj1A:
22.75
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.
4ylr TUBULIN
POLYGLUTAMYLASE
TTLL7

(Homo sapiens) 		PF03133
(TTL) 		4 VAL A 288
TRP A 292
PHE A 277
GLU A 279
 None
 1.44A 3n61A-4ylrA:
0.4
3n61B-4ylrA:
undetectable		 3n61A-4ylrA:
22.31
3n61B-4ylrA:
22.31
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.
5bov PUTATIVE EPOXIDE
HYDROLASE PROTEIN

(Klebsiella
pneumoniae) 		PF00561
(Abhydrolase_1) 		4 VAL A 316
VAL A 167
PHE A 328
GLU A 323
 None
 1.43A 3n61A-5bovA:
undetectable
3n61B-5bovA:
undetectable		 3n61A-5bovA:
18.97
3n61B-5bovA:
18.97
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.
5c6g AGR133CP
SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF10345
(Cohesin_load)
no annotation 		4 VAL B  28
TRP A 401
PHE A 397
GLU A 402
 None
 1.48A 3n61A-5c6gB:
undetectable
3n61B-5c6gB:
undetectable		 3n61A-5c6gB:
19.07
3n61B-5c6gB:
19.07
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.
5c9h TELOMERASE REVERSE
TRANSCRIPTASE

(Tetrahymena
thermophila) 		PF12009
(Telomerase_RBD) 		4 VAL A 435
VAL A 431
PHE A 310
GLU A 303
 None
 1.31A 3n61A-5c9hA:
0.8
3n61B-5c9hA:
0.8		 3n61A-5c9hA:
18.76
3n61B-5c9hA:
18.76
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.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF01855
(POR_N)
PF17147
(PFOR_II) 		4 VAL A 363
VAL A 279
PHE A 372
GLU A 367
 None
 1.00A 3n61A-5exeA:
undetectable
3n61B-5exeA:
undetectable		 3n61A-5exeA:
22.25
3n61B-5exeA:
22.25
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.
5ft6 CYSTEINE DESULFURASE
CSDA

(Escherichia
coli) 		PF00266
(Aminotran_5) 		4 VAL A  36
TRP A 288
PHE A  13
GLU A  33
 None
 1.48A 3n61A-5ft6A:
undetectable
3n61B-5ft6A:
undetectable		 3n61A-5ft6A:
21.59
3n61B-5ft6A:
21.59
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.
5it0 PHOSPHOSERINE
PHOSPHATASE

(Mycobacterium
avium) 		PF12710
(HAD)
PF13740
(ACT_6) 		4 VAL A 161
VAL A 102
PHE A 112
GLU A 165
 None
 1.28A 3n61A-5it0A:
undetectable
3n61B-5it0A:
undetectable		 3n61A-5it0A:
22.85
3n61B-5it0A:
22.85
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.
5jjd COLLAGEN TYPE IV
ALPHA-3-BINDING
PROTEIN

(Homo sapiens) 		PF01852
(START) 		4 VAL B 368
VAL B 485
PHE B 505
GLU B 372
 None
 1.35A 3n61A-5jjdB:
undetectable
3n61B-5jjdB:
undetectable		 3n61A-5jjdB:
20.61
3n61B-5jjdB:
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.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		4 VAL A 341
TRP A 323
TRP A 347
PHE A 290
 None
 1.11A 3n61A-5jseA:
undetectable
3n61B-5jseA:
undetectable		 3n61A-5jseA:
21.55
3n61B-5jseA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kn8 ADENINE DNA
GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		4 VAL A  92
TRP A  83
PHE A  61
GLU A  84
 None
 1.33A 3n61A-5kn8A:
undetectable
3n61B-5kn8A:
undetectable		 3n61A-5kn8A:
21.57
3n61B-5kn8A:
21.57
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.
5lp8 E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		no annotation 4 VAL B4019
TRP B4065
PHE B4109
GLU B4033
 None
 1.26A 3n61A-5lp8B:
undetectable
3n61B-5lp8B:
undetectable		 3n61A-5lp8B:
20.65
3n61B-5lp8B:
20.65
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.
5nzg UDP-GLUCOSE
PYROPHOSPHORYLASE

(Leishmania
major) 		no annotation 4 VAL A 371
VAL A 231
TRP A 311
PHE A 216
 None
 1.42A 3n61A-5nzgA:
undetectable
3n61B-5nzgA:
undetectable		 3n61A-5nzgA:
11.16
3n61B-5nzgA:
11.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5twa BAK-2 PROTEIN
BCL-X HOMOLOGOUS
PROTEIN, BHP2

(Geodia
cydonium;
Lubomirskia
baicalensis) 		PF00452
(Bcl-2)
no annotation 		4 VAL D  82
VAL A 136
TRP A 133
PHE A 187
 None
None
B3P  A 309 (-4.3A)
None
 1.43A 3n61A-5twaD:
undetectable
3n61B-5twaD:
undetectable		 3n61A-5twaD:
6.57
3n61B-5twaD:
6.57
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.
5txw PEPTIDASE

(Thermococcus
thioreducens) 		PF01965
(DJ-1_PfpI) 		4 VAL A 135
VAL A 127
TRP A 134
GLU A 133
 None
 1.42A 3n61A-5txwA:
undetectable
3n61B-5txwA:
undetectable		 3n61A-5txwA:
18.29
3n61B-5txwA:
18.29
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.
5wsg PRE-MRNA-SPLICING
FACTOR
CLF1,PRE-MRNA-SPLICI
NG FACTOR CLF1,CLF1

(Saccharomyces
cerevisiae) 		no annotation 4 VAL d 206
VAL d 193
TRP d 205
TRP d 202
 None
 1.20A 3n61A-5wsgd:
undetectable
3n61B-5wsgd:
undetectable		 3n61A-5wsgd:
12.44
3n61B-5wsgd:
12.44
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.
5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1

(Homo sapiens) 		PF00400
(WD40)
PF00931
(NB-ARC) 		4 VAL A 127
VAL A 324
PHE A 298
GLU A 293
 DTP  A1301 (-4.1A)
None
None
None
 1.26A 3n61A-5wveA:
undetectable
3n61B-5wveA:
undetectable		 3n61A-5wveA:
15.34
3n61B-5wveA:
15.34
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.
5x18 CASEIN KINASE I
HOMOLOG 1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 VAL A 317
VAL A 299
PHE A 266
GLU A 259
 None
 1.36A 3n61A-5x18A:
undetectable
3n61B-5x18A:
undetectable		 3n61A-5x18A:
20.60
3n61B-5x18A:
20.60
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.
5x1u UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 4 VAL A 323
VAL A 301
PHE A 229
GLU A 293
 None
 1.35A 3n61A-5x1uA:
undetectable
3n61B-5x1uA:
undetectable		 3n61A-5x1uA:
21.96
3n61B-5x1uA:
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.
5xpv AMPHIOXUS IGVJ-C2

(Branchiostoma
floridae) 		no annotation 4 VAL A  98
VAL A   1
PHE A  11
GLU A  72
 None
 1.48A 3n61A-5xpvA:
undetectable
3n61B-5xpvA:
undetectable		 3n61A-5xpvA:
12.80
3n61B-5xpvA:
12.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yfg RAN GUANINE
NUCLEOTIDE RELEASE
FACTOR

(Homo sapiens) 		no annotation 4 VAL A  85
VAL A  82
PHE A  68
GLU A  61
 None
 1.29A 3n61A-5yfgA:
undetectable
3n61B-5yfgA:
undetectable		 3n61A-5yfgA:
16.82
3n61B-5yfgA:
16.82
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.
5ze3 LYSYL OXIDASE
HOMOLOG 2

(Homo sapiens) 		no annotation 4 VAL A 326
VAL A 422
PHE A 369
GLU A 366
 None
 1.43A 3n61A-5ze3A:
undetectable
3n61B-5ze3A:
undetectable		 3n61A-5ze3A:
12.32
3n61B-5ze3A:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zxd -

(-) 		no annotation 4 VAL A 513
VAL A 364
PHE A 343
GLU A 515
 None
ATP  A 602 ( 4.6A)
None
None
 1.25A 3n61A-5zxdA:
undetectable
3n61B-5zxdA:
undetectable		 3n61A-5zxdA:
undetectable
3n61B-5zxdA:
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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 4 VAL A 363
VAL A 444
PHE A 354
GLU A 439
 None
 1.47A 3n61A-6ceyA:
undetectable
3n61B-6ceyA:
undetectable		 3n61A-6ceyA:
11.02
3n61B-6ceyA:
11.02