SIMILAR PATTERNS OF AMINO ACIDS FOR 3VRJ_A_1KXA301_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.
1cnv CONCANAVALIN B

(Canavalia
ensiformis) 		PF00704
(Glyco_hydro_18) 		5 ILE A  33
VAL A  31
TYR A  28
THR A  25
ILE A  69
 None
 1.14A 3vrjA-1cnvA:
undetectable
3vrjC-1cnvA:
undetectable		 3vrjA-1cnvA:
21.78
3vrjC-1cnvA:
3.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ed3 CLASS I MAJOR
HISTOCOMPATIBILITY
ANTIGEN RT1-AA

(Rattus
norvegicus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		7 TYR A   9
TYR A  74
ILE A  95
TYR A  99
TYR A 123
ILE A 124
TRP A 147
 None
 0.51A 3vrjA-1ed3A:
34.2
3vrjC-1ed3A:
undetectable		 3vrjA-1ed3A:
74.55
3vrjC-1ed3A:
4.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fta FRUCTOSE-1,6-BISPHOS
PHATASE

(Homo sapiens) 		PF00316
(FBPase) 		5 TYR A 264
ILE A 317
TYR A 215
TYR A 226
ILE A 261
 None
 1.21A 3vrjA-1ftaA:
undetectable
3vrjC-1ftaA:
undetectable		 3vrjA-1ftaA:
22.10
3vrjC-1ftaA:
7.89
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.
1k3r CONSERVED PROTEIN
MT0001

(Methanothermobacter
thermautotrophicus) 		PF02598
(Methyltrn_RNA_3) 		5 TYR A 165
ILE A  43
VAL A 167
ILE A  57
ILE A  31
 None
 1.28A 3vrjA-1k3rA:
undetectable
3vrjC-1k3rA:
undetectable		 3vrjA-1k3rA:
19.03
3vrjC-1k3rA:
4.00
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.
1kr1 HEVAMINE A

(Hevea
brasiliensis) 		PF00704
(Glyco_hydro_18) 		5 ILE A  30
VAL A  28
TYR A  25
THR A  22
ILE A  64
 None
 1.16A 3vrjA-1kr1A:
undetectable
3vrjC-1kr1A:
undetectable		 3vrjA-1kr1A:
19.81
3vrjC-1kr1A:
5.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nez H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, TLA(C)
ALPHA CHAIN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		7 TYR A   9
ILE A  95
VAL A  97
TYR A  99
TYR A 123
ILE A 124
TRP A 147
 None
 0.51A 3vrjA-1nezA:
28.4
3vrjC-1nezA:
undetectable		 3vrjA-1nezA:
66.79
3vrjC-1nezA:
3.83
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.
1now BETA-HEXOSAMINIDASE
BETA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		5 ILE A 275
VAL A 271
TYR A 266
ILE A 340
THR A 209
 None
 1.18A 3vrjA-1nowA:
undetectable
3vrjC-1nowA:
undetectable		 3vrjA-1nowA:
21.03
3vrjC-1nowA:
4.02
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.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		6 TYR A 207
ILE A 209
VAL A 175
ASP A  19
ILE A  44
ILE A  11
 None
 1.47A 3vrjA-1poiA:
undetectable
3vrjC-1poiA:
undetectable		 3vrjA-1poiA:
20.00
3vrjC-1poiA:
2.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s7s H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, K-B ALPHA
CHAIN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 ILE A  95
VAL A  97
TYR A 123
ILE A 124
TRP A 147
 None
 0.26A 3vrjA-1s7sA:
34.6
3vrjC-1s7sA:
undetectable		 3vrjA-1s7sA:
70.65
3vrjC-1s7sA:
8.24
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.
1s8e EXONUCLEASE PUTATIVE

(Pyrococcus
furiosus) 		PF00149
(Metallophos) 		5 TYR A 238
ILE A 278
VAL A 276
ILE A 328
ILE A 317
 None
 1.06A 3vrjA-1s8eA:
undetectable
3vrjC-1s8eA:
undetectable		 3vrjA-1s8eA:
20.77
3vrjC-1s8eA:
2.74
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.
1si8 CATALASE

(Enterococcus
faecalis) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 ILE A 474
VAL A 470
TYR A 466
THR A 176
ILE A 452
 None
 1.26A 3vrjA-1si8A:
undetectable
3vrjC-1si8A:
undetectable		 3vrjA-1si8A:
19.38
3vrjC-1si8A:
2.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tmc CLASS I
HISTOCOMPATIBILITY
ANTIGEN (HLA-AW68)

(Homo sapiens) 		PF00129
(MHC_I) 		6 TYR A   9
ILE A  95
TYR A  99
TYR A 123
ILE A 124
TRP A 147
 None
 0.51A 3vrjA-1tmcA:
28.6
3vrjC-1tmcA:
undetectable		 3vrjA-1tmcA:
81.14
3vrjC-1tmcA:
7.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ukr ENDO-1,4-B-XYLANASE
I

(Aspergillus
niger) 		PF00457
(Glyco_hydro_11) 		5 TYR A   6
ILE A   4
TYR A 164
ILE A  52
ILE A 182
 None
 1.16A 3vrjA-1ukrA:
undetectable
3vrjC-1ukrA:
undetectable		 3vrjA-1ukrA:
19.22
3vrjC-1ukrA:
7.41
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.
1zu4 FTSY

(Mycoplasma
mycoides) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 TYR A 395
ILE A 378
ILE A 326
THR A 138
ILE A 375
 None
 1.26A 3vrjA-1zu4A:
undetectable
3vrjC-1zu4A:
undetectable		 3vrjA-1zu4A:
19.19
3vrjC-1zu4A:
3.69
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.
2bde CYTOSOLIC IMP-GMP
SPECIFIC
5'-NUCLEOTIDASE

(Legionella
pneumophila) 		PF05761
(5_nucleotid) 		5 TYR A 300
ILE A 298
ILE A  12
THR A  27
ILE A  17
 None
 1.31A 3vrjA-2bdeA:
undetectable
3vrjC-2bdeA:
undetectable		 3vrjA-2bdeA:
20.56
3vrjC-2bdeA:
3.07
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.
2jjq UNCHARACTERIZED RNA
METHYLTRANSFERASE
PYRAB10780

(Pyrococcus
abyssi) 		PF05958
(tRNA_U5-meth_tr) 		5 TYR A 174
VAL A 191
SER A 212
TYR A 210
ILE A 225
 None
 1.12A 3vrjA-2jjqA:
undetectable
3vrjC-2jjqA:
undetectable		 3vrjA-2jjqA:
19.95
3vrjC-2jjqA:
3.41
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.
2jmz HYPOTHETICAL PROTEIN
MJ0781

(Methanocaldococcus
jannaschii) 		PF14890
(Intein_splicing) 		5 ILE A  52
VAL A  77
TYR A 153
ILE A  59
ILE A  57
 None
 1.21A 3vrjA-2jmzA:
undetectable
3vrjC-2jmzA:
undetectable		 3vrjA-2jmzA:
20.15
3vrjC-2jmzA:
12.99
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.
2oap TYPE II SECRETION
SYSTEM PROTEIN

(Archaeoglobus
fulgidus) 		PF00437
(T2SSE) 		5 TYR 1  56
ILE 1 158
VAL 1 144
THR 1  41
ILE 1 156
 None
 1.28A 3vrjA-2oap1:
undetectable
3vrjC-2oap1:
undetectable		 3vrjA-2oap1:
19.22
3vrjC-2oap1:
5.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ol3 ALLOGENEIC H-2KBM8
MHC CLASS I MOLECULE

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 ILE H  95
VAL H  97
TYR H 123
ILE H 124
TRP H 147
 None
 0.27A 3vrjA-2ol3H:
31.0
3vrjC-2ol3H:
undetectable		 3vrjA-2ol3H:
71.01
3vrjC-2ol3H:
9.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qri H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN K-B ALPHA
CHAIN, BETA-2
MICROGLOBULIN,
OVALBUMIN-DERIVED
PEPTIDE

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 ILE A  95
VAL A  97
TYR A 123
ILE A 124
TRP A 147
 None
 0.31A 3vrjA-2qriA:
29.3
3vrjC-2qriA:
undetectable		 3vrjA-2qriA:
68.06
3vrjC-2qriA:
9.59
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.
2qyb MEMBRANE PROTEIN,
PUTATIVE

(Geobacter
sulfurreducens) 		PF13185
(GAF_2) 		5 TYR A  52
ILE A  38
VAL A  37
SER A 125
ILE A  73
 None
 1.10A 3vrjA-2qybA:
undetectable
3vrjC-2qybA:
undetectable		 3vrjA-2qybA:
20.58
3vrjC-2qybA:
5.88
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.
2r30 TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
18

(Homo sapiens) 		no annotation 5 TYR A  95
ILE A  89
VAL A  79
TRP A 165
ILE A 148
 None
 1.26A 3vrjA-2r30A:
undetectable
3vrjC-2r30A:
undetectable		 3vrjA-2r30A:
19.12
3vrjC-2r30A:
18.00
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.
2r7y RIBONUCLEASE H

(Bacillus
halodurans) 		no annotation 5 TYR A 119
ILE A 129
ASP A  87
SER A  69
TYR A 130
 None
 1.23A 3vrjA-2r7yA:
undetectable
3vrjC-2r7yA:
undetectable		 3vrjA-2r7yA:
20.07
3vrjC-2r7yA:
11.43
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.
2wjs LAMININ SUBUNIT
ALPHA-2

(Mus musculus) 		PF00054
(Laminin_G_1) 		5 ILE A2584
VAL A2593
TYR A2582
ILE A2540
ILE A2546
 None
 1.31A 3vrjA-2wjsA:
2.4
3vrjC-2wjsA:
undetectable		 3vrjA-2wjsA:
18.94
3vrjC-2wjsA:
2.05
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.
2x5q SSO1986

(Sulfolobus
solfataricus) 		no annotation 5 VAL A 154
TYR A 178
TYR A 162
ILE A  47
ILE A  83
 None
 1.10A 3vrjA-2x5qA:
undetectable
3vrjC-2x5qA:
undetectable		 3vrjA-2x5qA:
19.50
3vrjC-2x5qA:
6.43
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.
2z2z TK-SUBTILISIN
PRECURSOR

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8) 		5 ILE A 248
VAL A 279
ILE A 256
THR A 327
ILE A 200
 None
 1.26A 3vrjA-2z2zA:
undetectable
3vrjC-2z2zA:
undetectable		 3vrjA-2z2zA:
20.68
3vrjC-2z2zA:
2.78
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.
3b59 GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Novosphingobium
aromaticivorans) 		PF00903
(Glyoxalase) 		5 TYR A 201
ILE A 142
VAL A  55
THR A 242
ILE A 145
 None
 1.21A 3vrjA-3b59A:
undetectable
3vrjC-3b59A:
undetectable		 3vrjA-3b59A:
22.40
3vrjC-3b59A:
4.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ch8 FUSION PROTEIN
PDZ-FIBRONECTIN

(Homo sapiens) 		PF00041
(fn3)
PF00595
(PDZ) 		5 ILE A 173
VAL A 175
TYR A 135
TYR A 139
ILE A 162
 None
 1.10A 3vrjA-3ch8A:
5.1
3vrjC-3ch8A:
undetectable		 3vrjA-3ch8A:
21.63
3vrjC-3ch8A:
5.74
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.
3dtz PUTATIVE CHLORITE
DISMUTASE TA0507

(Thermoplasma
acidophilum) 		PF06778
(Chlor_dismutase) 		5 TYR A 178
VAL A 121
TYR A 123
TYR A  53
ILE A 183
 None
 1.10A 3vrjA-3dtzA:
undetectable
3vrjC-3dtzA:
undetectable		 3vrjA-3dtzA:
20.34
3vrjC-3dtzA:
6.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jts MHC CLASS I
MAMU-A*02

(Macaca mulatta) 		PF00129
(MHC_I)
PF07654
(C1-set) 		7 TYR A   9
ILE A  95
TYR A  99
SER A 116
TYR A 123
ILE A 124
TRP A 147
 None
 0.77A 3vrjA-3jtsA:
32.8
3vrjC-3jtsA:
undetectable		 3vrjA-3jtsA:
86.96
3vrjC-3jtsA:
23.81
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.
3k2m MONOBODY HA4

(Homo sapiens) 		PF00041
(fn3) 		5 ILE C  75
VAL C  77
TYR C  37
TYR C  41
ILE C  64
 None
 1.12A 3vrjA-3k2mC:
4.7
3vrjC-3k2mC:
undetectable		 3vrjA-3k2mC:
18.15
3vrjC-3k2mC:
10.94
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.
3k9d ALDEHYDE
DEHYDROGENASE

(Listeria
monocytogenes) 		PF00171
(Aldedh) 		5 ILE A 133
TYR A 127
ILE A 158
THR A 419
ILE A 172
 None
 1.27A 3vrjA-3k9dA:
undetectable
3vrjC-3k9dA:
undetectable		 3vrjA-3k9dA:
19.23
3vrjC-3k9dA:
7.56
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.
3kvs C-PHYCOCYANIN ALPHA
CHAIN
C-PHYCOCYANIN BETA
CHAIN

(Galdieria
sulphuraria) 		PF00502
(Phycobilisome) 		5 ILE B  98
VAL B  41
SER B  94
TYR B  95
THR A 152
 None
 1.26A 3vrjA-3kvsB:
undetectable
3vrjC-3kvsB:
undetectable		 3vrjA-3kvsB:
22.81
3vrjC-3kvsB:
9.20
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.
3lgs 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASES

(Arabidopsis
thaliana) 		PF01048
(PNP_UDP_1) 		5 TYR A  65
ILE A  74
VAL A  76
ILE A 112
ILE A 256
 None
 0.99A 3vrjA-3lgsA:
undetectable
3vrjC-3lgsA:
undetectable		 3vrjA-3lgsA:
22.04
3vrjC-3lgsA:
3.80
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.
3mdq EXOPOLYPHOSPHATASE

(Cytophaga
hutchinsonii) 		PF02541
(Ppx-GppA) 		5 TYR A 236
ILE A 291
VAL A 293
ASP A 214
ILE A 279
 None
None
None
SO4  A 319 (-3.4A)
None
 1.27A 3vrjA-3mdqA:
undetectable
3vrjC-3mdqA:
undetectable		 3vrjA-3mdqA:
19.27
3vrjC-3mdqA:
3.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pwv MHC CLASS I ANTIGEN

(Bos taurus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 TYR A   8
TYR A  98
TYR A 122
ILE A 123
TRP A 146
 None
 0.18A 3vrjA-3pwvA:
34.3
3vrjC-3pwvA:
undetectable		 3vrjA-3pwvA:
79.56
3vrjC-3pwvA:
11.29
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.
3qht MONOBODY YSMB-1

(synthetic
construct) 		PF00041
(fn3) 		5 ILE C  70
VAL C  72
TYR C  32
TYR C  36
ILE C  59
 None
 1.02A 3vrjA-3qhtC:
3.6
3vrjC-3qhtC:
undetectable		 3vrjA-3qhtC:
14.96
3vrjC-3qhtC:
11.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qq3 MHC CLASS I ANTIGEN

(Sus scrofa) 		PF00129
(MHC_I)
PF07654
(C1-set) 		6 TYR A   9
TYR A  74
TYR A  99
TYR A 123
ILE A 124
TRP A 147
 None
 0.23A 3vrjA-3qq3A:
34.0
3vrjC-3qq3A:
undetectable		 3vrjA-3qq3A:
74.55
3vrjC-3qq3A:
2.21
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.
3qwq ADNECTIN

(Homo sapiens) 		PF00041
(fn3) 		5 ILE B  70
VAL B  72
TYR B  32
TYR B  36
ILE B  59
 None
 1.13A 3vrjA-3qwqB:
4.0
3vrjC-3qwqB:
undetectable		 3vrjA-3qwqB:
17.87
3vrjC-3qwqB:
8.51
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.
3qwr ADNECTIN

(Homo sapiens) 		PF00041
(fn3) 		5 ILE D  70
VAL D  72
TYR D  32
TYR D  36
ILE D  59
 None
 1.10A 3vrjA-3qwrD:
4.6
3vrjC-3qwrD:
undetectable		 3vrjA-3qwrD:
17.87
3vrjC-3qwrD:
8.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rl2 HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, A-3 ALPHA
CHAIN

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 ILE A  95
TYR A  99
TYR A 123
ILE A 124
TRP A 147
 None
 0.34A 3vrjA-3rl2A:
32.0
3vrjC-3rl2A:
undetectable		 3vrjA-3rl2A:
87.59
3vrjC-3rl2A:
23.81
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.
3roh LEUCOTOXIN LUKEV

(Staphylococcus
aureus) 		PF07968
(Leukocidin) 		5 TYR A 108
VAL A 188
TYR A 172
SER A 174
ILE A 130
 None
 1.10A 3vrjA-3rohA:
undetectable
3vrjC-3rohA:
undetectable		 3vrjA-3rohA:
21.94
3vrjC-3rohA:
28.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rwg MAJOR
HISTOCOMPATIBILITY
COMPLEX CLASS I

(Macaca mulatta) 		PF00129
(MHC_I)
PF07654
(C1-set) 		7 TYR A   9
ILE A  95
TYR A  99
SER A 116
TYR A 123
ILE A 124
TRP A 147
 None
 0.40A 3vrjA-3rwgA:
34.0
3vrjC-3rwgA:
undetectable		 3vrjA-3rwgA:
85.51
3vrjC-3rwgA:
5.88
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.
3t44 INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00218
(IGPS) 		5 ILE A  88
VAL A  43
ILE A 215
THR A 158
ILE A 217
 None
 1.10A 3vrjA-3t44A:
undetectable
3vrjC-3t44A:
undetectable		 3vrjA-3t44A:
21.81
3vrjC-3t44A:
5.76
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.
3wau 4-O-BETA-D-MANNOSYL-
D-GLUCOSE
PHOSPHORYLASE

(Bacteroides
fragilis) 		PF04041
(Glyco_hydro_130) 		5 ILE A 107
VAL A 349
TYR A 340
TYR A  83
ILE A 329
 None
 1.28A 3vrjA-3wauA:
undetectable
3vrjC-3wauA:
undetectable		 3vrjA-3wauA:
22.08
3vrjC-3wauA:
3.46
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.
3wsv L-LACTATE
DEHYDROGENASE

(Enterococcus
mundtii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  77
TYR A  68
ILE A  36
THR A 240
ILE A 105
 None
 1.25A 3vrjA-3wsvA:
undetectable
3vrjC-3wsvA:
undetectable		 3vrjA-3wsvA:
21.14
3vrjC-3wsvA:
4.85
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.
4aq9 ACETYLCHOLINE
RECEPTOR GAMMA
SUBUNIT

(Torpedo
marmorata) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		5 ILE E 296
VAL E 292
ILE E 268
THR E 468
ILE E 232
 None
 1.17A 3vrjA-4aq9E:
2.2
3vrjC-4aq9E:
undetectable		 3vrjA-4aq9E:
18.38
3vrjC-4aq9E:
4.09
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.
4d1t METALLO-B-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 ILE A  56
SER A  54
TYR A  45
ILE A  48
THR A 115
 None
 1.29A 3vrjA-4d1tA:
undetectable
3vrjC-4d1tA:
undetectable		 3vrjA-4d1tA:
23.13
3vrjC-4d1tA:
4.19
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.
4e1l ACETOACETYL-COA
THIOLASE 2

(Clostridioides
difficile) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE A  75
VAL A  51
ILE A 258
THR A 115
ILE A  38
 None
 1.18A 3vrjA-4e1lA:
undetectable
3vrjC-4e1lA:
undetectable		 3vrjA-4e1lA:
24.46
3vrjC-4e1lA:
5.15
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.
4egv ACETYL-COA
ACETYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		no annotation 5 ILE A  88
VAL A  84
TYR A  80
THR A  61
ILE A  55
 None
 1.27A 3vrjA-4egvA:
undetectable
3vrjC-4egvA:
undetectable		 3vrjA-4egvA:
20.81
3vrjC-4egvA:
2.59
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.
4gah THIOESTERASE
SUPERFAMILY MEMBER 4

(Homo sapiens) 		PF03061
(4HBT) 		5 ILE A 188
VAL A 214
SER A 224
TYR A 184
ILE A 182
 None
 1.08A 3vrjA-4gahA:
undetectable
3vrjC-4gahA:
undetectable		 3vrjA-4gahA:
18.47
3vrjC-4gahA:
7.95
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.
4h7n ALDEHYDE
DEHYDROGENASE

(Trichormus
variabilis) 		PF00171
(Aldedh) 		5 ILE A 161
VAL A   7
TYR A  17
ASP A  16
ILE A 306
 None
 1.27A 3vrjA-4h7nA:
undetectable
3vrjC-4h7nA:
undetectable		 3vrjA-4h7nA:
19.67
3vrjC-4h7nA:
10.34
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.
4hr6 LECTIN

(Trichosanthes
anguina) 		PF00161
(RIP) 		5 ILE B 157
VAL B 156
SER B 153
THR B 183
ILE B 139
 None
 1.14A 3vrjA-4hr6B:
undetectable
3vrjC-4hr6B:
undetectable		 3vrjA-4hr6B:
20.64
3vrjC-4hr6B:
5.08
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.
4kq7 HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF11175
(DUF2961) 		5 TYR A 196
ILE A 103
ILE A  94
THR A  70
ILE A 180
 None
None
None
NA  A 502 (-3.2A)
None
 1.16A 3vrjA-4kq7A:
undetectable
3vrjC-4kq7A:
undetectable		 3vrjA-4kq7A:
20.31
3vrjC-4kq7A:
3.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lcy HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-46 ALPHA
CHAIN

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 ASP A 114
SER A 116
TYR A 123
ILE A 124
TRP A 147
 None
 0.78A 3vrjA-4lcyA:
34.5
3vrjC-4lcyA:
undetectable		 3vrjA-4lcyA:
93.43
3vrjC-4lcyA:
23.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lcy HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-46 ALPHA
CHAIN

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		6 TYR A   9
TYR A  99
ASP A 114
TYR A 123
ILE A 124
TRP A 147
 None
 0.23A 3vrjA-4lcyA:
34.5
3vrjC-4lcyA:
undetectable		 3vrjA-4lcyA:
93.43
3vrjC-4lcyA:
23.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nhu H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, L-D ALPHA
CHAIN

(Mus musculus) 		PF00129
(MHC_I) 		5 TYR E  99
TYR E 123
ILE E 124
TRP E 147
ILE E 203
 None
 0.62A 3vrjA-4nhuE:
26.5
3vrjC-4nhuE:
undetectable		 3vrjA-4nhuE:
48.55
3vrjC-4nhuE:
5.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nhu H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, L-D ALPHA
CHAIN

(Mus musculus) 		PF00129
(MHC_I) 		5 TYR E  99
TYR E 123
ILE E 124
TRP E 147
ILE E 203
 None
 1.22A 3vrjA-4nhuE:
26.5
3vrjC-4nhuE:
undetectable		 3vrjA-4nhuE:
48.55
3vrjC-4nhuE:
5.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ovr TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Xanthobacter
autotrophicus) 		PF03480
(DctP) 		5 ILE A  61
VAL A  63
ASP A  32
SER A  30
ILE A  87
 None
 1.18A 3vrjA-4ovrA:
undetectable
3vrjC-4ovrA:
undetectable		 3vrjA-4ovrA:
20.00
3vrjC-4ovrA:
4.93
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.
4q9t NUCLEOPORIN NUP133

(Vanderwaltozyma
polyspora) 		PF08801
(Nucleoporin_N) 		5 TYR A 123
VAL A 491
TYR A 483
ILE A 472
ILE A 473
 None
 1.30A 3vrjA-4q9tA:
undetectable
3vrjC-4q9tA:
undetectable		 3vrjA-4q9tA:
20.19
3vrjC-4q9tA:
8.26
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.
4qxd 3'(2'),5'-BISPHOSPHA
TE NUCLEOTIDASE,
PUTATIVE

(Entamoeba
histolytica) 		PF00459
(Inositol_P) 		5 TYR A 212
ILE A 211
TYR A 275
ILE A 279
ILE A 182
 None
 1.15A 3vrjA-4qxdA:
undetectable
3vrjC-4qxdA:
undetectable		 3vrjA-4qxdA:
18.45
3vrjC-4qxdA:
6.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r7f UNCHARACTERIZED
PROTEIN

(Parabacteroides
merdae) 		PF17116
(DUF5103) 		5 TYR A 395
ILE A 397
VAL A 184
TYR A 231
ILE A 204
 None
None
None
None
CL  A 504 (-4.8A)
 1.18A 3vrjA-4r7fA:
2.5
3vrjC-4r7fA:
undetectable		 3vrjA-4r7fA:
20.64
3vrjC-4r7fA:
5.96
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.
4xkq NICKEL ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Staphylococcus
aureus) 		PF00496
(SBP_bac_5) 		5 ILE A 185
VAL A 187
TYR A 189
THR A  19
ILE A 465
 None
 1.16A 3vrjA-4xkqA:
undetectable
3vrjC-4xkqA:
undetectable		 3vrjA-4xkqA:
20.00
3vrjC-4xkqA:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		5 TYR A1549
TYR A1526
ILE A1493
THR A1306
ILE A1558
 None
 1.28A 3vrjA-4xqkA:
undetectable
3vrjC-4xqkA:
undetectable		 3vrjA-4xqkA:
10.58
3vrjC-4xqkA:
0.80
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.
5ay9 4-O-BETA-D-MANNOSYL-
D-GLUCOSE
PHOSPHORYLASE

(Ruminococcus
albus) 		PF04041
(Glyco_hydro_130) 		5 ILE A 335
VAL A 333
TYR A  31
ILE A  30
THR A 261
 None
 0.92A 3vrjA-5ay9A:
undetectable
3vrjC-5ay9A:
undetectable		 3vrjA-5ay9A:
19.85
3vrjC-5ay9A:
2.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dc4 AS25 MONOBODY

(Homo sapiens) 		PF00041
(fn3) 		5 ILE B  72
VAL B  74
TYR B  34
TYR B  38
ILE B  61
 None
 1.08A 3vrjA-5dc4B:
4.9
3vrjC-5dc4B:
undetectable		 3vrjA-5dc4B:
15.69
3vrjC-5dc4B:
7.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ejs MYOSIN-I HEAVY CHAIN

(Dictyostelium
discoideum) 		PF00373
(FERM_M)
PF00784
(MyTH4)
PF09380
(FERM_C) 		5 ILE A2290
VAL A2295
ILE A2277
THR A2328
ILE A2347
 None
 1.27A 3vrjA-5ejsA:
undetectable
3vrjC-5ejsA:
undetectable		 3vrjA-5ejsA:
19.32
3vrjC-5ejsA:
2.43
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.
5ezb CHICKEN PRESTIN STAS
DOMAIN,CHICKEN
PRESTIN STAS DOMAIN

(Gallus gallus) 		PF01740
(STAS) 		5 TYR A 682
ILE A 679
VAL A 678
THR A 566
ILE A 691
 None
 1.15A 3vrjA-5ezbA:
undetectable
3vrjC-5ezbA:
undetectable		 3vrjA-5ezbA:
18.52
3vrjC-5ezbA:
8.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f1n MHC CLASS I ANTIGEN

(Canis lupus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		7 TYR A   9
TYR A  74
ILE A  95
TYR A  99
TYR A 123
ILE A 124
TRP A 147
 None
 0.29A 3vrjA-5f1nA:
33.8
3vrjC-5f1nA:
undetectable		 3vrjA-5f1nA:
80.73
3vrjC-5f1nA:
3.66
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.
5f1y MCCC FAMILY PROTEIN

(Bacillus cereus) 		PF02016
(Peptidase_S66) 		5 TYR A 283
TYR A 287
SER A 245
TRP A 257
ILE A 217
 None
 1.19A 3vrjA-5f1yA:
undetectable
3vrjC-5f1yA:
undetectable		 3vrjA-5f1yA:
22.83
3vrjC-5f1yA:
3.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fm5 MYOMESIN-1

(Homo sapiens) 		PF00041
(fn3) 		5 ILE M 528
VAL M 516
SER M 599
ILE M 581
TRP M 556
 None
 0.99A 3vrjA-5fm5M:
4.1
3vrjC-5fm5M:
undetectable		 3vrjA-5fm5M:
22.50
3vrjC-5fm5M:
7.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fm8 MYOMESIN-1

(Homo sapiens) 		PF00041
(fn3) 		5 ILE A 528
VAL A 516
SER A 599
ILE A 581
TRP A 556
 None
 1.02A 3vrjA-5fm8A:
3.6
3vrjC-5fm8A:
undetectable		 3vrjA-5fm8A:
15.48
3vrjC-5fm8A:
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.
5fv2 VH DOMAIN ANTIBODY

(Homo sapiens) 		PF07686
(V-set) 		5 VAL A  48
SER A  49
TYR A  60
ILE A  70
THR A 110
 None
 1.25A 3vrjA-5fv2A:
4.8
3vrjC-5fv2A:
undetectable		 3vrjA-5fv2A:
18.65
3vrjC-5fv2A:
9.76
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.
5fyd OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Collinsella
aerofaciens) 		PF00106
(adh_short) 		5 ILE A  13
VAL A  91
SER A  89
ILE A 139
THR A 189
 None
 1.17A 3vrjA-5fydA:
undetectable
3vrjC-5fydA:
undetectable		 3vrjA-5fydA:
21.05
3vrjC-5fydA:
11.59
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.
5g15 MB1 MONOBODY

(synthetic
construct) 		no annotation 5 ILE B  76
VAL B  78
TYR B  38
TYR B  42
ILE B  65
 None
None
None
SO4  B1097 (-4.9A)
SO4  B1097 (-4.8A)
 1.13A 3vrjA-5g15B:
4.4
3vrjC-5g15B:
undetectable		 3vrjA-5g15B:
14.86
3vrjC-5g15B:
10.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j6g H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, Q10 ALPHA
CHAIN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 ILE A  95
TYR A  99
TYR A 123
ILE A 124
TRP A 147
 None
 0.27A 3vrjA-5j6gA:
32.7
3vrjC-5j6gA:
undetectable		 3vrjA-5j6gA:
75.00
3vrjC-5j6gA:
3.32
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.
5jd9 SPORE COAT PROTEIN H

(Bacillus cereus) 		PF08757
(CotH) 		5 ILE A 109
TYR A  38
TYR A  57
ILE A  42
ILE A 111
 None
 1.22A 3vrjA-5jd9A:
undetectable
3vrjC-5jd9A:
undetectable		 3vrjA-5jd9A:
21.58
3vrjC-5jd9A:
3.83
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.
5k8s CAMP-DEPENDENT
PROTEIN KINASE
REGULATORY SUBUNIT

(Plasmodium
falciparum) 		PF00027
(cNMP_binding) 		5 TYR A 333
VAL A 398
TYR A 400
TYR A 369
ILE A 390
 None
 1.16A 3vrjA-5k8sA:
undetectable
3vrjC-5k8sA:
undetectable		 3vrjA-5k8sA:
18.84
3vrjC-5k8sA:
6.35
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.
5kbf CAMP-DEPENDENT
PROTEIN KINASE
REGULATORY SUBUNIT,
PUTATIVE

(Plasmodium
falciparum) 		PF00027
(cNMP_binding) 		5 TYR A 333
VAL A 398
TYR A 400
TYR A 369
ILE A 390
 None
 1.22A 3vrjA-5kbfA:
undetectable
3vrjC-5kbfA:
undetectable		 3vrjA-5kbfA:
20.18
3vrjC-5kbfA:
4.19
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.
5mu7 COATOMER SUBUNIT
DELTA-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF01217
(Clat_adaptor_s) 		5 TYR B  58
ILE B  69
VAL B  67
TYR B  65
SER B   7
 None
 0.95A 3vrjA-5mu7B:
undetectable
3vrjC-5mu7B:
undetectable		 3vrjA-5mu7B:
21.11
3vrjC-5mu7B:
9.35
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.
5nkq MONOBODY

(Homo sapiens) 		PF00041
(fn3) 		5 ILE E  71
VAL E  73
TYR E  33
TYR E  37
ILE E  60
 None
 1.20A 3vrjA-5nkqE:
4.7
3vrjC-5nkqE:
undetectable		 3vrjA-5nkqE:
15.64
3vrjC-5nkqE:
11.67
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.
5oc7 MONOBODY
MB(BCR-PH_4)

(synthetic
construct) 		no annotation 5 ILE C  72
VAL C  74
TYR C  34
TYR C  38
ILE C  61
 None
 1.08A 3vrjA-5oc7C:
5.1
3vrjC-5oc7C:
undetectable		 3vrjA-5oc7C:
14.61
3vrjC-5oc7C:
11.48
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.
5ow6 VP1

(Cucumber mosaic
virus) 		PF00760
(Cucumo_coat) 		5 TYR A  99
ILE A 177
VAL A  96
ILE A  73
ILE A 205
 None
 1.24A 3vrjA-5ow6A:
undetectable
3vrjC-5ow6A:
undetectable		 3vrjA-5ow6A:
21.96
3vrjC-5ow6A:
5.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5te4 HIV-1 CLADE G STRAIN
X2088 GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 ILE G 270
VAL G 286
ILE G 449
TRP G 338
ILE G 341
 None
 0.85A 3vrjA-5te4G:
undetectable
3vrjC-5te4G:
undetectable		 3vrjA-5te4G:
20.66
3vrjC-5te4G:
6.71
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.
5uam ULVAN LYASE-PL25

(Pseudoalteromonas
sp. PLSV) 		PF15892
(BNR_4) 		5 TYR A 188
ILE A  64
TYR A 246
ASP A 262
ILE A 345
 EDO  A 511 ( 3.0A)
K  A 505 (-4.0A)
EDO  A 511 ( 3.8A)
None
None
 1.25A 3vrjA-5uamA:
undetectable
3vrjC-5uamA:
undetectable		 3vrjA-5uamA:
21.14
3vrjC-5uamA:
2.69
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.
5urb METHIONINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 VAL A 252
TYR A 249
TYR A 107
ILE A 240
ILE A 116
 None
NO3  A 608 (-4.1A)
None
None
EDO  A 604 (-4.6A)
 1.12A 3vrjA-5urbA:
undetectable
3vrjC-5urbA:
undetectable		 3vrjA-5urbA:
20.21
3vrjC-5urbA:
2.25
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.
5uwv L,D-TRANSPEPTIDASE 2

(Mycobacteroides
abscessus) 		no annotation 6 TYR B 289
ILE B 291
VAL B 372
SER B 252
ILE B 263
THR B 284
 None
 1.19A 3vrjA-5uwvB:
3.9
3vrjC-5uwvB:
undetectable		 3vrjA-5uwvB:
20.98
3vrjC-5uwvB:
2.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xmm MHC CLASS I ANTIGEN
ALPHA CHAIN

(Felis catus) 		no annotation 6 TYR A  10
ILE A  96
TYR A 100
TYR A 124
ILE A 125
TRP A 148
 None
 0.39A 3vrjA-5xmmA:
34.3
3vrjC-5xmmA:
undetectable		 3vrjA-5xmmA:
37.08
3vrjC-5xmmA:
7.89
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.
5yv5 ATPASE RIL

(Pyrococcus
furiosus) 		no annotation 5 ILE A 367
VAL A 366
SER A 521
ILE A 517
ILE A 369
 None
 1.13A 3vrjA-5yv5A:
undetectable
3vrjC-5yv5A:
undetectable		 3vrjA-5yv5A:
undetectable
3vrjC-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.
6apx MONOBODY YSX1

(synthetic
construct) 		no annotation 5 ILE B  70
VAL B  72
TYR B  32
TYR B  36
ILE B  59
 None
 1.15A 3vrjA-6apxB:
5.0
3vrjC-6apxB:
undetectable		 3vrjA-6apxB:
14.49
3vrjC-6apxB:
8.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avf HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-7 ALPHA
CHAIN

(Homo sapiens) 		no annotation 6 TYR H   9
TYR H  99
ASP H 114
TYR H 123
ILE H 124
TRP H 147
 None
 0.51A 3vrjA-6avfH:
33.3
3vrjC-6avfH:
undetectable		 3vrjA-6avfH:
91.07
3vrjC-6avfH:
8.00
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 5 ILE B  37
VAL B 100
TYR B 111
TYR B  42
ILE B 178
 None
 1.26A 3vrjA-6avoB:
undetectable
3vrjC-6avoB:
undetectable		 3vrjA-6avoB:
13.04
3vrjC-6avoB:
6.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b2b MONOBODY

(Homo sapiens) 		no annotation 5 ILE C  71
VAL C  73
TYR C  33
TYR C  37
ILE C  60
 None
 1.10A 3vrjA-6b2bC:
5.1
3vrjC-6b2bC:
undetectable		 3vrjA-6b2bC:
14.55
3vrjC-6b2bC:
11.67
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.
6bfu SPIKE PROTEIN

(Coronavirus
HKU15) 		no annotation 5 ILE A 573
VAL A 571
TYR A 567
ASP A 568
TYR A 967
 None
 1.30A 3vrjA-6bfuA:
undetectable
3vrjC-6bfuA:
undetectable		 3vrjA-6bfuA:
13.73
3vrjC-6bfuA:
3.48
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.
6brk DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Mus musculus) 		no annotation 5 ILE A 332
VAL A 342
TYR A 363
ILE A 340
ILE A 392
 None
 1.24A 3vrjA-6brkA:
undetectable
3vrjC-6brkA:
undetectable		 3vrjA-6brkA:
16.06
3vrjC-6brkA:
9.30
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.
6byn WDR5-BINDING
MONOBODY, MB(S4)

(Homo sapiens) 		no annotation 5 ILE M  70
VAL M  72
TYR M  32
TYR M  36
ILE M  59
 None
 1.12A 3vrjA-6bynM:
4.7
3vrjC-6bynM:
undetectable		 3vrjA-6bynM:
15.85
3vrjC-6bynM:
11.48
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.
6ek4 PAXB

(Photorhabdus
luminescens) 		no annotation 5 TYR A 194
ILE A 191
VAL A 190
SER A 187
ILE A 204
 None
 1.26A 3vrjA-6ek4A:
undetectable
3vrjC-6ek4A:
undetectable		 3vrjA-6ek4A:
17.24
3vrjC-6ek4A:
17.24
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.
6f5d ATP SYNTHASE GAMMA
SUBUNIT

(Trypanosoma
brucei) 		no annotation 5 TYR G  72
ILE G  93
VAL G  96
SER G  95
ILE G 159
 None
 1.10A 3vrjA-6f5dG:
undetectable
3vrjC-6f5dG:
undetectable		 3vrjA-6f5dG:
12.68
3vrjC-6f5dG:
10.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fgk GTP
PYROPHOSPHOKINASE
YWAC

(Bacillus
subtilis) 		no annotation 5 TYR A  43
ILE A  39
VAL A 107
ILE A 157
ILE A  52
 None
 1.25A 3vrjA-6fgkA:
undetectable
3vrjC-6fgkA:
undetectable		 3vrjA-6fgkA:
13.57
3vrjC-6fgkA:
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.
6fl0 -

(-) 		no annotation 5 ILE A  62
VAL A 105
TYR A 185
TYR A 102
THR A 159
 None
 1.18A 3vrjA-6fl0A:
undetectable
3vrjC-6fl0A:
undetectable		 3vrjA-6fl0A:
undetectable
3vrjC-6fl0A:
undetectable