SIMILAR PATTERNS OF AMINO ACIDS FOR 3S3O_A_DLUA399

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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		4 ASP A 448
ASP A 539
GLN A 614
GLU A 446
 None
CBS  A1001 (-3.9A)
None
None
 1.15A 3s3oA-1c7tA:
undetectable		 3s3oA-1c7tA:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ek6 UDP-GALACTOSE
4-EPIMERASE

(Homo sapiens) 		PF16363
(GDP_Man_Dehyd) 		4 PRO A 210
GLN A 214
GLU A 199
ARG A 300
 None
None
None
UPG  A 401 (-2.8A)
 1.28A 3s3oA-1ek6A:
1.0		 3s3oA-1ek6A:
22.84
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.
1iv8 MALTOOLIGOSYL
TREHALOSE SYNTHASE

(Sulfolobus
acidocaldarius) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		4 ASP A 228
PRO A  38
GLN A  84
ARG A 600
 None
 1.29A 3s3oA-1iv8A:
3.3		 3s3oA-1iv8A:
18.30
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.
1jnf SEROTRANSFERRIN

(Oryctolagus
cuniculus) 		PF00405
(Transferrin) 		4 ASP A 163
ASP A 166
PRO A 168
GLN A 169
 None
 1.29A 3s3oA-1jnfA:
undetectable		 3s3oA-1jnfA:
21.17
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.
1kjv MATURE ALPHA CHAIN
OF MAJOR
HISTOCOMPATIBILITY
COMPLEX CLASS I
ANTIGEN (HEAVY
CHAIN)

(Rattus
norvegicus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 ASP A 212
PRO A 210
GLU A 264
ARG A   6
 None
 1.07A 3s3oA-1kjvA:
0.1		 3s3oA-1kjvA:
21.26
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.
1n4d VITAMIN B12
TRANSPORT PROTEIN
BTUF

(Escherichia
coli) 		PF01497
(Peripla_BP_2) 		4 ASP A  30
TYR A  28
PRO A   9
GLU A  13
 None
 1.17A 3s3oA-1n4dA:
2.0		 3s3oA-1n4dA:
22.36
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.
1q1a HST2 PROTEIN

(Saccharomyces
cerevisiae) 		PF02146
(SIR2) 		4 ASP A 271
TYR A 269
GLN A 276
GLU A 275
 None
 1.17A 3s3oA-1q1aA:
undetectable		 3s3oA-1q1aA:
24.38
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.
1qvr CLPB PROTEIN

(Thermus
thermophilus) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 ASP A  41
GLN A  16
GLU A 257
ARG A 297
 None
 1.15A 3s3oA-1qvrA:
undetectable		 3s3oA-1qvrA:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1spj KALLIKREIN 1

(Homo sapiens) 		PF00089
(Trypsin) 		4 ASP A 113
PRO A 111
GLN A  50
GLU A 110
 None
 1.11A 3s3oA-1spjA:
undetectable		 3s3oA-1spjA:
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		4 TYR A 128
GLN A  79
GLU A  81
ARG A 187
 None
 1.24A 3s3oA-1to6A:
undetectable		 3s3oA-1to6A:
22.04
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.
1tx4 P50-RHOGAP

(Homo sapiens) 		PF00620
(RhoGAP) 		4 PRO A  61
GLN A  53
GLU A  60
ARG A 172
 None
 1.11A 3s3oA-1tx4A:
undetectable		 3s3oA-1tx4A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uus STAT PROTEIN

(Dictyostelium
discoideum) 		PF00017
(SH2)
PF09267
(Dict-STAT-coil) 		4 ASP A 322
PRO A 320
GLN A 517
GLU A 319
 None
 1.25A 3s3oA-1uusA:
undetectable		 3s3oA-1uusA:
21.40
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.
1ux6 THROMBOSPONDIN-1

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		4 ASP A 839
ASP A 830
TYR A1011
ARG A1129
 CA  A2011 ( 2.1A)
CA  A2012 ( 2.9A)
None
None
 1.27A 3s3oA-1ux6A:
undetectable		 3s3oA-1ux6A:
21.40
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.
1yf2 TYPE I
RESTRICTION-MODIFICA
TION ENZYME, S
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF01420
(Methylase_S) 		4 ASP A 227
PRO A 376
GLN A 381
GLU A 380
 None
 1.24A 3s3oA-1yf2A:
undetectable		 3s3oA-1yf2A:
23.23
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.
1ylo HYPOTHETICAL PROTEIN
SF2450

(Shigella
flexneri) 		PF05343
(Peptidase_M42) 		4 ASP A 221
ASP A 166
GLU A 198
ARG A  88
 ZN  A1446 (-2.2A)
ZN  A1446 ( 2.3A)
ZN  A1446 ( 4.6A)
None
 1.23A 3s3oA-1yloA:
undetectable		 3s3oA-1yloA:
21.63
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.
1yt3 RIBONUCLEASE D

(Escherichia
coli) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		4 ASP A  28
ASP A  85
GLN A 104
ARG A  33
 ZN  A1001 ( 2.9A)
ZN  A1002 (-2.1A)
None
None
 1.01A 3s3oA-1yt3A:
undetectable		 3s3oA-1yt3A:
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.
1zup HYPOTHETICAL PROTEIN
TM1739

(Thermotoga
maritima) 		PF09376
(NurA) 		4 ASP A 157
GLN A 277
GLU A 280
ARG A   7
 None
 1.26A 3s3oA-1zupA:
undetectable		 3s3oA-1zupA:
20.96
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.
2au3 DNA PRIMASE

(Aquifex
aeolicus) 		PF01807
(zf-CHC2)
PF08275
(Toprim_N)
PF13155
(Toprim_2) 		4 ASP A 253
TYR A 251
GLU A 249
ARG A 204
 None
 1.19A 3s3oA-2au3A:
undetectable		 3s3oA-2au3A:
21.30
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.
2au3 DNA PRIMASE

(Aquifex
aeolicus) 		PF01807
(zf-CHC2)
PF08275
(Toprim_N)
PF13155
(Toprim_2) 		4 ASP A 293
TYR A 251
GLU A 249
ARG A 204
 None
 1.16A 3s3oA-2au3A:
undetectable		 3s3oA-2au3A:
21.30
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.
2d8k SYNAPTOTAGMIN VII

(Homo sapiens) 		PF00168
(C2) 		4 ASP A 103
ASP A 109
PRO A 110
GLN A  98
 None
 1.20A 3s3oA-2d8kA:
undetectable		 3s3oA-2d8kA:
18.90
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.
2ddu REELIN

(Mus musculus) 		no annotation 4 TYR A1510
PRO A1558
GLN A1512
GLU A1557
 None
 1.27A 3s3oA-2dduA:
undetectable		 3s3oA-2dduA:
21.65
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.
2gu9 TETRACENOMYCIN
POLYKETIDE SYNTHESIS
PROTEIN

(Xanthomonas
campestris) 		PF07883
(Cupin_2) 		4 ASP A  45
TYR A  96
PRO A  98
GLN A  20
 None
 1.01A 3s3oA-2gu9A:
undetectable		 3s3oA-2gu9A:
14.50
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.
2hn1 MAGNESIUM AND COBALT
TRANSPORTER

(Archaeoglobus
fulgidus) 		PF01544
(CorA) 		4 ASP A 180
ASP A 176
TYR A 169
ARG A 161
 None
 1.28A 3s3oA-2hn1A:
undetectable		 3s3oA-2hn1A:
23.11
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.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox) 		4 ASP B 191
TYR B 130
GLN B 200
ARG B 129
 None
 1.28A 3s3oA-2incB:
undetectable		 3s3oA-2incB:
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.
2ktq PROTEIN (LARGE
FRAGMENT OF DNA
POLYMERASE I)

(Thermus
aquaticus) 		PF00476
(DNA_pol_A)
PF09281
(Taq-exonuc) 		4 ASP A 610
ASP A 785
GLN A 582
GLU A 786
 MG  A 901 (-4.3A)
DCT  A 113 ( 2.4A)
None
None
 1.26A 3s3oA-2ktqA:
undetectable		 3s3oA-2ktqA:
21.61
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.
2o1o PUTATIVE FARNESYL
PYROPHOSPHATE
SYNTHASE

(Cryptosporidium
parvum) 		PF00348
(polyprenyl_synt) 		4 ASP A 116
ASP A 115
TYR A 214
ARG A  75
 None
MG  A 503 (-2.5A)
None
None
 1.30A 3s3oA-2o1oA:
undetectable		 3s3oA-2o1oA:
21.10
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.
2o2x HYPOTHETICAL PROTEIN

(Mesorhizobium
loti) 		PF13242
(Hydrolase_like) 		4 ASP A  44
TYR A  87
PRO A  48
ARG A  85
 GOL  A 219 (-3.1A)
None
None
None
 0.96A 3s3oA-2o2xA:
undetectable		 3s3oA-2o2xA:
20.47
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.
2wjr PROBABLE
N-ACETYLNEURAMINIC
ACID OUTER MEMBRANE
CHANNEL PROTEIN NANC

(Escherichia
coli) 		PF06178
(KdgM) 		4 ASP A 188
TYR A 133
GLN A 174
GLU A 186
 None
 1.04A 3s3oA-2wjrA:
undetectable		 3s3oA-2wjrA:
20.63
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.
2wjr PROBABLE
N-ACETYLNEURAMINIC
ACID OUTER MEMBRANE
CHANNEL PROTEIN NANC

(Escherichia
coli) 		PF06178
(KdgM) 		4 TYR A 133
GLN A 174
GLU A 186
ARG A 105
 None
 1.18A 3s3oA-2wjrA:
undetectable		 3s3oA-2wjrA:
20.63
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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 ASP A 310
TYR A 417
PRO A 313
GLN A 372
 ZN  A 700 ( 2.6A)
SO4  A 801 (-4.3A)
None
None
 1.17A 3s3oA-2yheA:
undetectable		 3s3oA-2yheA:
20.30
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.
2z2s RPOE, ECF SIGE

(Rhodobacter
sphaeroides) 		PF04542
(Sigma70_r2)
PF04545
(Sigma70_r4) 		4 ASP A 102
PRO A 100
GLU A  99
ARG A  73
 None
 1.04A 3s3oA-2z2sA:
undetectable		 3s3oA-2z2sA:
17.97
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.
3c18 NUCLEOTIDYLTRANSFERA
SE-LIKE PROTEIN

(Exiguobacterium
sibiricum) 		PF14540
(NTF-like) 		4 ASP A 101
ASP A 105
GLU A  98
ARG A 111
 None
 1.25A 3s3oA-3c18A:
undetectable		 3s3oA-3c18A:
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.
3cux MALATE SYNTHASE

(Bacillus
anthracis) 		PF01274
(Malate_synthase) 		4 ASP A 275
ASP A 117
PRO A 211
GLU A 247
 MG  A   1 (-3.3A)
MG  A   1 ( 4.7A)
None
MG  A   1 (-2.6A)
 1.26A 3s3oA-3cuxA:
undetectable		 3s3oA-3cuxA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d3s L-2,4-DIAMINOBUTYRIC
ACID
ACETYLTRANSFERASE

(Bordetella
parapertussis) 		PF00583
(Acetyltransf_1) 		4 ASP A 139
ASP A 150
PRO A 136
GLN A 135
 None
 1.28A 3s3oA-3d3sA:
undetectable		 3s3oA-3d3sA:
18.31
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.
3ddr HASR PROTEIN

(Serratia
marcescens) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ASP A 118
PRO A 120
GLU A 579
ARG A 454
 None
 1.11A 3s3oA-3ddrA:
undetectable		 3s3oA-3ddrA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dty OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Pseudomonas
syringae group
genomosp. 3) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 TYR A 338
GLN A 148
GLU A 151
ARG A   7
 None
 1.22A 3s3oA-3dtyA:
undetectable		 3s3oA-3dtyA:
20.58
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.
3f2k HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF01359
(Transposase_1) 		4 ASP A  38
ASP A 130
TYR A 157
PRO A 159
 MG  A 227 (-2.6A)
MG  A 227 (-2.5A)
None
None
 0.64A 3s3oA-3f2kA:
9.8		 3s3oA-3f2kA:
20.30
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.
3fby CARTILAGE OLIGOMERIC
MATRIX PROTEIN

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		4 ASP A 271
ASP A 290
PRO A 276
ARG A 285
 CA  A 801 ( 2.8A)
CA  A 802 ( 2.3A)
None
None
 1.22A 3s3oA-3fbyA:
undetectable		 3s3oA-3fbyA:
20.36
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.
3frk QDTB

(Thermoanaerobacterium
thermosaccharolyticum) 		PF01041
(DegT_DnrJ_EryC1) 		4 ASP A 106
TYR A 110
PRO A 105
ARG A 288
 None
 0.93A 3s3oA-3frkA:
undetectable		 3s3oA-3frkA:
19.91
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.
3h1t TYPE I SITE-SPECIFIC
RESTRICTION-MODIFICA
TION SYSTEM, R
(RESTRICTION)
SUBUNIT

(Vibrio
vulnificus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF13588
(HSDR_N_2) 		4 ASP A 367
ASP A 368
GLN A  73
GLU A  72
 None
 1.12A 3s3oA-3h1tA:
undetectable		 3s3oA-3h1tA:
20.72
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.
3hje 704AA LONG
HYPOTHETICAL
GLYCOSYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		4 ASP A 222
PRO A  36
GLN A  82
ARG A 597
 GOL  A 802 (-2.8A)
None
None
GOL  A 803 (-2.7A)
 1.29A 3s3oA-3hjeA:
2.6		 3s3oA-3hjeA:
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.
3hx6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILY1

(Pseudomonas
aeruginosa) 		PF05567
(Neisseria_PilC) 		4 ASP A 855
ASP A 851
TYR A 936
ARG A 929
 CA  A   1 (-2.8A)
CA  A   1 (-3.4A)
None
None
 1.23A 3s3oA-3hx6A:
undetectable		 3s3oA-3hx6A:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jac PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		PF12166
(Piezo_RRas_bdg) 		4 ASP A2264
TYR A2266
PRO A2267
GLN A2271
 None
 1.30A 3s3oA-3jacA:
undetectable		 3s3oA-3jacA:
5.11
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.
3jq1 SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 TYR A 368
PRO A 295
GLU A 377
ARG A 388
 None
 1.23A 3s3oA-3jq1A:
undetectable		 3s3oA-3jq1A:
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.
3k7l ATRAGIN

(Naja atra) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		4 ASP A 489
ASP A 474
PRO A 476
GLU A 477
 CA  A 702 (-3.1A)
CA  A 702 (-2.9A)
None
CA  A 702 (-2.3A)
 1.22A 3s3oA-3k7lA:
undetectable		 3s3oA-3k7lA:
21.24
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.
3mpo PREDICTED HYDROLASE
OF THE HAD
SUPERFAMILY

(Lactobacillus
brevis) 		PF08282
(Hydrolase_3) 		4 TYR A 185
PRO A 159
GLN A 160
GLU A 163
 None
 1.10A 3s3oA-3mpoA:
undetectable		 3s3oA-3mpoA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ois CYSTEINE PROTEASE

(Xylella
fastidiosa) 		PF00112
(Peptidase_C1) 		4 ASP A 192
TYR A 271
GLN A 189
ARG A 249
 None
 1.26A 3s3oA-3oisA:
undetectable		 3s3oA-3oisA:
20.48
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.
3oqq PUTATIVE LIPOPROTEIN

(Bacteroides
ovatus) 		PF16129
(DUF4841)
PF16130
(DUF4842) 		4 ASP A 138
PRO A 133
GLN A 132
ARG A  68
 CA  A 460 (-2.3A)
None
None
None
 0.97A 3s3oA-3oqqA:
undetectable		 3s3oA-3oqqA:
22.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oyn PFV INTEGRASE

(Simian foamy
virus) 		PF00665
(rve) 		6 ASP A 128
ASP A 185
TYR A 212
PRO A 214
GLN A 215
GLU A 221
 MG  A 396 (-2.6A)
MG  A 396 ( 2.7A)
ZZX  A 398 ( 4.0A)
ZZX  A 398 (-4.1A)
ZZX  A 398 (-3.9A)
MG  A 397 ( 1.8A)
 0.32A 3s3oA-3oynA:
45.4		 3s3oA-3oynA:
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.
3oyz MALATE SYNTHASE

(Haloferax
volcanii) 		PF03328
(HpcH_HpaI) 		4 ASP A 192
PRO A 122
GLU A 158
ARG A  59
 MG  A 500 ( 2.9A)
None
MG  A 500 ( 2.6A)
None
 1.27A 3s3oA-3oyzA:
undetectable		 3s3oA-3oyzA:
19.43
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.
3pfo PUTATIVE
ACETYLORNITHINE
DEACETYLASE

(Rhodopseudomonas
palustris) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ASP A 112
TYR A 381
GLN A 172
ARG A 380
 None
 1.04A 3s3oA-3pfoA:
undetectable		 3s3oA-3pfoA:
22.84
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.
3q2w CADHERIN-2

(Mus musculus) 		PF00028
(Cadherin) 		4 ASP A 218
ASP A 250
GLN A 184
GLU A 119
 CA  A 604 ( 2.7A)
CA  A 605 ( 3.3A)
None
CA  A 604 ( 2.7A)
 1.29A 3s3oA-3q2wA:
undetectable		 3s3oA-3q2wA:
23.93
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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 ASP A 960
TYR A 997
GLN A1198
GLU A 961
 None
 1.27A 3s3oA-3topA:
undetectable		 3s3oA-3topA:
18.38
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.
3vmn DEXTRANASE

(Streptococcus
mutans) 		PF13199
(Glyco_hydro_66) 		4 ASP A 597
TYR A 626
PRO A 601
GLN A 602
 None
 1.13A 3s3oA-3vmnA:
2.5		 3s3oA-3vmnA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w21 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Burkholderia
ambifaria) 		no annotation 4 ASP A  45
PRO A 234
GLN A 233
ARG A 256
 None
 1.20A 3s3oA-3w21A:
undetectable		 3s3oA-3w21A:
17.77
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.
3win HA3

(Clostridium
botulinum) 		PF03505
(Clenterotox) 		4 ASP E 535
ASP E 532
TYR E 212
GLN E 529
 None
 1.08A 3s3oA-3winE:
undetectable		 3s3oA-3winE:
20.69
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.
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00753
(Lactamase_B) 		4 ASP A 147
ASP A 148
TYR A 121
PRO A 105
 None
 1.12A 3s3oA-4ad9A:
undetectable		 3s3oA-4ad9A:
20.96
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.
4art STRUCTURAL PROTEIN
ORF273

(Acidianus
two-tailed
virus) 		no annotation 4 TYR A  73
PRO A  69
GLU A  38
ARG A  82
 None
 1.11A 3s3oA-4artA:
undetectable		 3s3oA-4artA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e8d GLYCOSYL HYDROLASE,
FAMILY 35

(Streptococcus
pneumoniae) 		PF01301
(Glyco_hydro_35) 		4 TYR A 216
PRO A 215
GLN A 269
GLU A 265
 None
 0.94A 3s3oA-4e8dA:
undetectable		 3s3oA-4e8dA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fgo PERIPLASMIC PROTEIN

(Legionella
pneumophila) 		PF06035
(Peptidase_C93) 		4 ASP A 136
ASP A 139
GLU A 138
ARG A 242
 CA  A 301 (-2.6A)
CA  A 301 (-2.5A)
CA  A 301 (-4.2A)
None
 1.16A 3s3oA-4fgoA:
undetectable		 3s3oA-4fgoA:
19.25
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.
4hpk COLLAGENASE

(Hathewaya
histolytica) 		PF04151
(PPC) 		4 ASP A 927
ASP A 904
TYR A 931
GLU A 901
 CA  A1101 ( 2.8A)
CA  A1101 (-3.2A)
None
CA  A1101 ( 2.2A)
 1.21A 3s3oA-4hpkA:
undetectable		 3s3oA-4hpkA:
13.58
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.
4ip8 SERUM AMYLOID A-1
PROTEIN

(Homo sapiens) 		PF00277
(SAA) 		4 ASP A  23
TYR A  35
GLU A  26
ARG A  96
 None
 1.06A 3s3oA-4ip8A:
undetectable		 3s3oA-4ip8A:
12.09
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.
4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		4 TYR A 178
PRO A 166
GLN A 169
GLU A 167
 None
 1.09A 3s3oA-4jsoA:
undetectable		 3s3oA-4jsoA:
21.43
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.
4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		4 TYR A 179
PRO A 166
GLN A 169
GLU A 167
 None
 1.21A 3s3oA-4jsoA:
undetectable		 3s3oA-4jsoA:
21.43
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.
4mda MARINER MOS1
TRANSPOSASE

(Drosophila
mauritiana) 		PF01359
(Transposase_1) 		4 ASP A 156
ASP A 249
TYR A 276
PRO A 278
 MN  A 401 (-2.6A)
MN  A 401 ( 2.7A)
RLT  A 403 (-3.6A)
RLT  A 403 ( 4.9A)
 0.83A 3s3oA-4mdaA:
10.3		 3s3oA-4mdaA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o5p UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF09994
(DUF2235) 		4 ASP A 502
PRO A 504
GLN A 507
GLU A 505
 None
 1.16A 3s3oA-4o5pA:
undetectable		 3s3oA-4o5pA:
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.
4q5h PROTEIN KINASE OSPG

(Shigella sonnei) 		no annotation 4 TYR A 137
GLN A  71
GLU A  72
ARG A 179
 None
None
MG  A 201 ( 4.8A)
None
 1.29A 3s3oA-4q5hA:
undetectable		 3s3oA-4q5hA:
18.09
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.
4qlo HOMOSERINE
O-ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF00561
(Abhydrolase_1) 		4 ASP A 267
TYR A 163
PRO A 271
GLN A 274
 None
 1.25A 3s3oA-4qloA:
undetectable		 3s3oA-4qloA:
22.61
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.
4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE SMALL
SUBUNIT

(Aquincola
tertiaricarbonis) 		PF02310
(B12-binding) 		4 ASP C  98
PRO C  97
GLN C  69
GLU C  99
 None
 1.13A 3s3oA-4r3uC:
undetectable		 3s3oA-4r3uC:
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.
4r71 30S RIBOSOMAL
PROTEIN S1

(Escherichia
coli) 		PF00575
(S1) 		4 ASP E  34
PRO E  49
GLN E  52
GLU E  51
 None
 1.05A 3s3oA-4r71E:
undetectable		 3s3oA-4r71E:
18.55
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.
4rax PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		PF12166
(Piezo_RRas_bdg) 		4 ASP A2264
TYR A2266
PRO A2267
GLN A2271
 None
 1.27A 3s3oA-4raxA:
undetectable		 3s3oA-4raxA:
19.50
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.
4uir OLEATE HYDRATASE

(Elizabethkingia
meningoseptica) 		PF06100
(MCRA) 		4 ASP A  26
PRO A  25
GLN A 570
GLU A  24
 None
 1.16A 3s3oA-4uirA:
undetectable		 3s3oA-4uirA:
20.58
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.
4v39 SIALYLTRANSFERASE

(Pasteurella
dagmatis) 		PF11477
(PM0188) 		4 ASP A 129
TYR A 190
PRO A 186
GLN A 185
 None
 1.22A 3s3oA-4v39A:
undetectable		 3s3oA-4v39A:
22.81
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.
4wbd BSHC

(Bacillus
subtilis) 		PF10079
(BshC) 		4 ASP A 136
ASP A 134
GLN A  91
GLU A 139
 None
None
CIT  A 602 ( 3.3A)
None
 1.16A 3s3oA-4wbdA:
undetectable		 3s3oA-4wbdA:
21.99
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.
4zfl AMIDOHYDROLASE EGTC

(Mycolicibacterium
smegmatis) 		PF13522
(GATase_6) 		4 ASP A  20
PRO A  22
GLN A  23
ARG A 189
 None
 1.28A 3s3oA-4zflA:
undetectable		 3s3oA-4zflA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zi8 PROTEIN PCDHGC3

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 ASP A 133
ASP A  97
GLU A  65
ARG A  11
 CA  A 405 ( 3.2A)
CA  A 405 (-2.9A)
CA  A 405 ( 2.2A)
None
 0.98A 3s3oA-4zi8A:
undetectable		 3s3oA-4zi8A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cc8 THIAMINE-MONOPHOSPHA
TE KINASE

(Acinetobacter
baumannii) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 ASP A 228
ASP A 160
GLN A 174
ARG A 182
 None
 1.16A 3s3oA-5cc8A:
undetectable		 3s3oA-5cc8A:
22.14
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.
5cr4 SLEEPING BEAUTY
TRANSPOSASE, SB100X

(synthetic
construct) 		PF01498
(HTH_Tnp_Tc3_2)
PF13358
(DDE_3) 		4 ASP A  43
ASP A 134
PRO A 163
GLU A 169
 GOL  A 317 (-4.2A)
SO4  A 309 ( 3.9A)
GOL  A 317 (-3.8A)
GOL  A 317 (-4.0A)
 0.58A 3s3oA-5cr4A:
11.2		 3s3oA-5cr4A:
21.72
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.
5djo KINESIN-LIKE PROTEIN

(Mus musculus) 		PF00498
(FHA)
PF16183
(Kinesin_assoc) 		4 ASP A  90
PRO A 104
GLN A 103
GLU A 105
 None
 1.23A 3s3oA-5djoA:
undetectable		 3s3oA-5djoA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ey5 LBCA-B
LBCATS-A

(synthetic
construct) 		PF00290
(Trp_syntA)
PF00291
(PALP) 		4 ASP B 286
ASP B 288
TYR A 109
ARG A 113
 None
 1.29A 3s3oA-5ey5B:
undetectable		 3s3oA-5ey5B:
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.
5gms ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		4 ASP A 192
PRO A 268
GLU A 239
ARG A  17
 None
 1.28A 3s3oA-5gmsA:
undetectable		 3s3oA-5gmsA:
18.57
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.
5h2a KLLA0C04147P

(Kluyveromyces
lactis) 		PF00023
(Ank) 		4 ASP A  97
ASP A  95
TYR A  60
GLN A 108
 None
 1.14A 3s3oA-5h2aA:
undetectable		 3s3oA-5h2aA:
22.55
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 ASP A 485
TYR B 769
GLN B 776
ARG B 766
 MG  A1803 (-4.1A)
None
None
None
 1.28A 3s3oA-5ip9A:
undetectable		 3s3oA-5ip9A:
12.03
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.
5iry DESMOCOLLIN-1

(Homo sapiens) 		PF00028
(Cadherin) 		4 ASP A 103
ASP A  67
TYR A  71
GLU A  11
 CA  A 614 ( 2.9A)
CA  A 605 (-2.2A)
None
CA  A 614 ( 3.1A)
 1.23A 3s3oA-5iryA:
undetectable		 3s3oA-5iryA:
22.76
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.
5j3p TYROSYL-DNA
PHOSPHODIESTERASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 ASP A 350
ASP A 122
TYR A 178
ARG A 206
 MG  A 401 ( 4.3A)
MG  A 401 (-3.2A)
None
None
 1.27A 3s3oA-5j3pA:
undetectable		 3s3oA-5j3pA:
18.16
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.
5m0q INTEGRASE

(Visna-maedi
virus) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		4 ASP A  66
ASP A 118
GLN A 148
GLU A 154
 None
 1.29A 3s3oA-5m0qA:
17.5		 3s3oA-5m0qA:
21.43
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.
5mkk MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 ASP B 500
ASP B 499
PRO B 418
ARG B 107
 None
 1.24A 3s3oA-5mkkB:
undetectable		 3s3oA-5mkkB:
21.92
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.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 4 ASP B  69
PRO B  72
GLN B  96
GLU B  71
 MG  B 502 ( 4.0A)
None
None
None
 1.16A 3s3oA-5n5nB:
undetectable		 3s3oA-5n5nB:
21.65
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.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 4 ASP A 721
ASP A 680
TYR A 626
GLN A 606
 None
 0.97A 3s3oA-5ngyA:
undetectable		 3s3oA-5ngyA:
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.
5oyl LOW-DENSITY
LIPOPROTEIN RECEPTOR

(Homo sapiens) 		no annotation 4 ASP D  69
ASP D  73
GLN D  81
GLU D  80
 CA  D 102 (-2.8A)
CA  D 102 (-3.1A)
None
CA  D 102 (-3.3A)
 1.21A 3s3oA-5oylD:
undetectable		 3s3oA-5oylD:
6.84
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.
5u1c HIV-1 INTEGRASE,
SSO7D CHIMERA

(Human
immunodeficiency
virus 1;
Sulfolobus
solfataricus) 		PF00552
(IN_DBD_C)
PF00665
(rve)
PF02022
(Integrase_Zn) 		5 ASP A  64
ASP A 116
TYR A 143
PRO A 145
GLN A 146
 MG  A 501 (-1.8A)
MG  A 501 (-2.8A)
None
None
None
 0.66A 3s3oA-5u1cA:
10.4		 3s3oA-5u1cA:
22.99
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.
5u1c HIV-1 INTEGRASE,
SSO7D CHIMERA

(Human
immunodeficiency
virus 1;
Sulfolobus
solfataricus) 		PF00552
(IN_DBD_C)
PF00665
(rve)
PF02022
(Integrase_Zn) 		4 ASP A  64
TYR A 143
PRO A 145
ARG A 231
 MG  A 501 (-1.8A)
None
None
None
 1.12A 3s3oA-5u1cA:
10.4		 3s3oA-5u1cA:
22.99
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.
5uk5 NEUROGENIC LOCUS
NOTCH HOMOLOG
PROTEIN 1

(Rattus
norvegicus) 		PF00008
(EGF)
PF07645
(EGF_CA) 		4 ASP A 469
ASP A 452
GLN A 442
GLU A 455
 CA  A 603 (-2.9A)
CA  A 603 (-2.5A)
None
CA  A 603 ( 2.5A)
 1.29A 3s3oA-5uk5A:
undetectable		 3s3oA-5uk5A:
16.80
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.
5vt8 CADHERIN-23

(Mus musculus) 		no annotation 4 ASP B2618
ASP B2580
TYR B2496
GLN B2549
 CA  B2801 ( 3.2A)
CA  B2801 (-2.9A)
None
None
 1.27A 3s3oA-5vt8B:
undetectable		 3s3oA-5vt8B:
15.99
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 ASP A 486
ASP A 484
GLN A 526
ARG B 766
 MG  A1803 (-2.6A)
MG  A1803 ( 2.2A)
None
APC  A1804 (-3.4A)
 1.18A 3s3oA-5xogA:
undetectable		 3s3oA-5xogA:
12.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR

(Homo sapiens) 		no annotation 4 ASP A2372
ASP A2331
PRO A2369
ARG A2337
 None
 1.21A 3s3oA-5yz0A:
undetectable		 3s3oA-5yz0A:
14.69
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.
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR

(Homo sapiens) 		no annotation 4 ASP A2475
TYR A2643
GLU A2509
ARG A2407
 None
 1.13A 3s3oA-5yz0A:
undetectable		 3s3oA-5yz0A:
14.69
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.
5z73 ALR0819 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 4 ASP A 302
TYR A 195
PRO A 198
GLN A 202
 None
 1.13A 3s3oA-5z73A:
undetectable		 3s3oA-5z73A:
9.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zji PHOTOSYSTEM I
REACTION CENTER
SUBUNIT II

(Zea mays) 		no annotation 4 ASP D 160
TYR D 142
GLN D  63
ARG D 135
 None
 1.13A 3s3oA-5zjiD:
undetectable		 3s3oA-5zjiD:
11.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c66 CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		no annotation 4 ASP A 256
GLN A 251
GLU A 253
ARG A 200
 None
 1.13A 3s3oA-6c66A:
undetectable		 3s3oA-6c66A:
11.95