SIMILAR PATTERNS OF AMINO ACIDS FOR 3L8L_D_DVAD6_0

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.
1bnl COLLAGEN XVIII

(Homo sapiens) 		PF06482
(Endostatin) 		3 TRP A 120
ALA A  17
VAL A 171
 None
 0.98A 3l8lC-1bnlA:
undetectable
3l8lD-1bnlA:
undetectable		 3l8lC-1bnlA:
11.21
3l8lD-1bnlA:
6.47
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.
1bqy PLASMINOGEN
ACTIVATOR

(Trimeresurus
stejnegeri) 		PF00089
(Trypsin) 		3 TRP A 215
ALA A  55
VAL A  99
 None
None
0GJ  A   1 ( 4.2A)
 0.87A 3l8lC-1bqyA:
undetectable
3l8lD-1bqyA:
undetectable		 3l8lC-1bqyA:
7.01
3l8lD-1bqyA:
8.87
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.
1d6m DNA TOPOISOMERASE
III

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		3 TRP A 240
ALA A 238
VAL A 224
 None
 0.94A 3l8lC-1d6mA:
undetectable
3l8lD-1d6mA:
undetectable		 3l8lC-1d6mA:
3.41
3l8lD-1d6mA:
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.
1ezw COENZYME
F420-DEPENDENT
N5,N10-METHYLENETETR
AHYDROMETHANOPTERIN
REDUCTASE

(Methanopyrus
kandleri) 		PF00296
(Bac_luciferase) 		3 TRP A 117
ALA A 130
VAL A 154
 None
 0.92A 3l8lC-1ezwA:
undetectable
3l8lD-1ezwA:
undetectable		 3l8lC-1ezwA:
4.63
3l8lD-1ezwA:
5.09
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.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		3 TRP A 378
ALA A 335
VAL A 338
 None
 0.80A 3l8lC-1kfwA:
undetectable
3l8lD-1kfwA:
undetectable		 3l8lC-1kfwA:
3.19
3l8lD-1kfwA:
3.19
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.
1l1l RIBONUCLEOSIDE
TRIPHOSPHATE
REDUCTASE

(Lactobacillus
leichmannii) 		PF02867
(Ribonuc_red_lgC) 		3 TRP A 120
ALA A 321
VAL A 163
 None
 0.97A 3l8lC-1l1lA:
undetectable
3l8lD-1l1lA:
undetectable		 3l8lC-1l1lA:
2.70
3l8lD-1l1lA:
2.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l1l RIBONUCLEOSIDE
TRIPHOSPHATE
REDUCTASE

(Lactobacillus
leichmannii) 		PF02867
(Ribonuc_red_lgC) 		3 TRP A 642
ALA A 646
VAL A 547
 None
 0.88A 3l8lC-1l1lA:
undetectable
3l8lD-1l1lA:
undetectable		 3l8lC-1l1lA:
2.70
3l8lD-1l1lA:
2.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1odo PUTATIVE CYTOCHROME
P450 154A1

(Streptomyces
coelicolor) 		PF00067
(p450) 		3 TRP A  81
ALA A 184
VAL A 174
 PIM  A1408 (-4.6A)
None
None
 0.79A 3l8lC-1odoA:
undetectable
3l8lD-1odoA:
undetectable		 3l8lC-1odoA:
14.86
3l8lD-1odoA:
3.87
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.
1ppr PERIDININ-CHLOROPHYL
L PROTEIN

(Amphidinium
carterae) 		PF02429
(PCP) 		3 TRP M 186
ALA M 238
VAL M 241
 PID  M 624 ( 3.6A)
None
PID  M 624 (-4.2A)
 0.97A 3l8lC-1pprM:
undetectable
3l8lD-1pprM:
undetectable		 3l8lC-1pprM:
7.10
3l8lD-1pprM:
7.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qfc PROTEIN (PURPLE ACID
PHOSPHATASE)

(Rattus
norvegicus) 		PF00149
(Metallophos) 		3 TRP A  15
ALA A 241
VAL A  12
 None
 0.88A 3l8lC-1qfcA:
undetectable
3l8lD-1qfcA:
undetectable		 3l8lC-1qfcA:
5.00
3l8lD-1qfcA:
5.00
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.
1qhq PROTEIN (AURACYANIN)

(Chloroflexus
aurantiacus) 		PF00127
(Copper-bind) 		3 TRP A  59
ALA A  23
VAL A  21
 None
 0.98A 3l8lC-1qhqA:
undetectable
3l8lD-1qhqA:
undetectable		 3l8lC-1qhqA:
6.43
3l8lD-1qhqA:
8.40
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.
1rbl RIBULOSE 1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E (LARGE CHAIN)

(Synechococcus
elongatus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		3 TRP A  70
ALA A  15
VAL A  69
 None
 0.71A 3l8lC-1rblA:
undetectable
3l8lD-1rblA:
undetectable		 3l8lC-1rblA:
4.08
3l8lD-1rblA:
4.08
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.
1sg4 3,2-TRANS-ENOYL-COA
ISOMERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00378
(ECH_1) 		3 TRP A  83
ALA A 230
VAL A 232
 None
 1.00A 3l8lC-1sg4A:
undetectable
3l8lD-1sg4A:
undetectable		 3l8lC-1sg4A:
6.06
3l8lD-1sg4A:
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.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		3 TRP A 256
ALA A 274
VAL A 255
 None
 0.94A 3l8lC-1to3A:
undetectable
3l8lD-1to3A:
undetectable		 3l8lC-1to3A:
6.40
3l8lD-1to3A:
5.18
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.
1tue REGULATORY PROTEIN
E2

(Alphapapillomavirus
7) 		PF00508
(PPV_E2_N) 		3 TRP B 138
ALA B 154
VAL B 141
 None
 0.99A 3l8lC-1tueB:
undetectable
3l8lD-1tueB:
undetectable		 3l8lC-1tueB:
5.70
3l8lD-1tueB:
5.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u5w HYPOTHETICAL UPF0244
PROTEIN YJJX

(Escherichia
coli) 		PF01931
(NTPase_I-T) 		3 TRP A  75
ALA A  77
VAL A   8
 None
 0.80A 3l8lC-1u5wA:
undetectable
3l8lD-1u5wA:
undetectable		 3l8lC-1u5wA:
6.18
3l8lD-1u5wA:
6.74
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.
1u7g PROBABLE AMMONIUM
TRANSPORTER

(Escherichia
coli) 		PF00909
(Ammonium_transp) 		3 TRP A 365
ALA A 174
VAL A 369
 None
 0.87A 3l8lC-1u7gA:
undetectable
3l8lD-1u7gA:
undetectable		 3l8lC-1u7gA:
5.19
3l8lD-1u7gA:
5.19
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.
1y43 ASPERGILLOPEPSIN II
HEAVY CHAIN

(Aspergillus
niger) 		PF01828
(Peptidase_A4) 		3 TRP B 107
ALA B   9
VAL B  11
 None
 0.48A 3l8lC-1y43B:
undetectable
3l8lD-1y43B:
undetectable		 3l8lC-1y43B:
6.13
3l8lD-1y43B:
6.75
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.
2a7w PHOSPHORIBOSYL-ATP
PYROPHOSPHATASE

(Chromobacterium
violaceum) 		PF01503
(PRA-PH) 		3 TRP A  68
ALA A  45
VAL A  64
 None
 0.85A 3l8lC-2a7wA:
undetectable
3l8lD-2a7wA:
undetectable		 3l8lC-2a7wA:
8.04
3l8lD-2a7wA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2btd PTS-DEPENDENT
DIHYDROXYACETONE
KINASE

(Escherichia
coli) 		PF02734
(Dak2) 		3 TRP A 134
ALA A 123
VAL A 117
 None
ADP  A1211 ( 4.4A)
None
 1.00A 3l8lC-2btdA:
undetectable
3l8lD-2btdA:
undetectable		 3l8lC-2btdA:
7.52
3l8lD-2btdA:
8.27
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.
2co6 PUTATIVE FIMBRIAE
ASSEMBLY CHAPERONE

(Salmonella
enterica) 		PF00345
(PapD_N)
PF02753
(PapD_C) 		3 TRP B 203
ALA B 168
VAL B 170
 None
 0.85A 3l8lC-2co6B:
undetectable
3l8lD-2co6B:
undetectable		 3l8lC-2co6B:
8.05
3l8lD-2co6B:
8.05
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.
2cwf DELTA1-PIPERIDEINE-2
-CARBOXYLATE
REDUCTASE

(Pseudomonas
syringae group
genomosp. 3) 		PF02615
(Ldh_2) 		3 TRP A  70
ALA A  67
VAL A  71
 None
 0.79A 3l8lC-2cwfA:
undetectable
3l8lD-2cwfA:
undetectable		 3l8lC-2cwfA:
6.22
3l8lD-2cwfA:
6.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3y URACIL-DNA
GLYCOSYLASE

(Thermus
thermophilus) 		PF03167
(UDG) 		3 TRP A  39
ALA A 116
VAL A  43
 None
 0.80A 3l8lC-2d3yA:
undetectable
3l8lD-2d3yA:
undetectable		 3l8lC-2d3yA:
8.73
3l8lD-2d3yA:
5.91
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.
2d4w GLYCEROL KINASE

(Cellulomonas
sp.) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		3 TRP A 102
ALA A  85
VAL A 101
 MPD  A   1 ( 3.9A)
None
None
 0.94A 3l8lC-2d4wA:
undetectable
3l8lD-2d4wA:
undetectable		 3l8lC-2d4wA:
4.98
3l8lD-2d4wA:
10.42
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.
2ffi 2-PYRONE-4,6-DICARBO
XYLIC ACID
HYDROLASE, PUTATIVE

(Pseudomonas
putida) 		PF04909
(Amidohydro_2) 		3 TRP A 233
ALA A 215
VAL A 198
 None
 0.94A 3l8lC-2ffiA:
undetectable
3l8lD-2ffiA:
undetectable		 3l8lC-2ffiA:
5.68
3l8lD-2ffiA:
5.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pnc COPPER AMINE
OXIDASE, LIVER
ISOZYME

(Bos taurus) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		3 TRP A 474
ALA A 427
VAL A 464
 None
 0.95A 3l8lC-2pncA:
undetectable
3l8lD-2pncA:
undetectable		 3l8lC-2pncA:
3.08
3l8lD-2pncA:
2.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qi9 VITAMIN B12 IMPORT
SYSTEM PERMEASE
PROTEIN BTUC

(Escherichia
coli) 		PF01032
(FecCD) 		3 TRP A 241
ALA A  69
VAL A 200
 None
 0.90A 3l8lC-2qi9A:
undetectable
3l8lD-2qi9A:
undetectable		 3l8lC-2qi9A:
7.27
3l8lD-2qi9A:
7.88
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.
2vtc CEL61B

(Trichoderma
reesei) 		PF03443
(Glyco_hydro_61) 		3 TRP A 228
ALA A 226
VAL A 116
 None
 0.90A 3l8lC-2vtcA:
undetectable
3l8lD-2vtcA:
undetectable		 3l8lC-2vtcA:
4.84
3l8lD-2vtcA:
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.
2wk8 CAI-1 AUTOINDUCER
SYNTHASE

(Vibrio cholerae) 		PF00155
(Aminotran_1_2) 		3 TRP A 109
ALA A 111
VAL A 113
 None
 0.99A 3l8lC-2wk8A:
undetectable
3l8lD-2wk8A:
undetectable		 3l8lC-2wk8A:
5.56
3l8lD-2wk8A:
6.02
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.
3axx 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		3 TRP A 323
ALA A 271
VAL A 298
 None
 0.78A 3l8lC-3axxA:
undetectable
3l8lD-3axxA:
undetectable		 3l8lC-3axxA:
3.23
3l8lD-3axxA:
3.50
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.
3biw NEUROLIGIN-1

(Rattus
norvegicus) 		PF00135
(COesterase) 		3 TRP A 485
ALA A 314
VAL A 407
 None
 0.89A 3l8lC-3biwA:
undetectable
3l8lD-3biwA:
undetectable		 3l8lC-3biwA:
3.93
3l8lD-3biwA:
3.61
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.
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		3 TRP A 438
ALA A 405
VAL A 455
 FAD  A2001 (-3.6A)
None
None
 0.83A 3l8lC-3e2sA:
undetectable
3l8lD-3e2sA:
undetectable		 3l8lC-3e2sA:
1.86
3l8lD-3e2sA:
2.24
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.
3fsc QDTC

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00132
(Hexapep) 		3 TRP A 239
ALA A 195
VAL A 178
 None
 0.98A 3l8lC-3fscA:
undetectable
3l8lD-3fscA:
undetectable		 3l8lC-3fscA:
13.89
3l8lD-3fscA:
15.28
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.
3i2t EPIDERMAL GROWTH
FACTOR RECEPTOR,
ISOFORM A

(Drosophila
melanogaster) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		3 TRP A 457
ALA A 405
VAL A 430
 None
 0.91A 3l8lC-3i2tA:
undetectable
3l8lD-3i2tA:
undetectable		 3l8lC-3i2tA:
3.28
3l8lD-3i2tA:
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.
3ios DISULFIDE BOND
FORMING PROTEIN
(DSBF)

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		3 TRP A 138
ALA A 131
VAL A 106
 None
 1.00A 3l8lC-3iosA:
undetectable
3l8lD-3iosA:
undetectable		 3l8lC-3iosA:
7.34
3l8lD-3iosA:
10.09
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.
3l6g BETAINE ABC
TRANSPORTER PERMEASE
AND SUBSTRATE
BINDING PROTEIN

(Lactococcus
lactis) 		PF04069
(OpuAC) 		3 TRP A 484
ALA A 403
VAL A 405
 None
 0.99A 3l8lC-3l6gA:
undetectable
3l8lD-3l6gA:
undetectable		 3l8lC-3l6gA:
7.98
3l8lD-3l6gA:
5.60
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.
3l8h PUTATIVE HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bordetella
bronchiseptica) 		PF13242
(Hydrolase_like) 		3 TRP A 142
ALA A 134
VAL A 124
 None
 0.95A 3l8lC-3l8hA:
undetectable
3l8lD-3l8hA:
undetectable		 3l8lC-3l8hA:
9.68
3l8lD-3l8hA:
8.89
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.
3njb ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		3 TRP A 177
ALA A 281
VAL A 283
 None
 0.93A 3l8lC-3njbA:
undetectable
3l8lD-3njbA:
undetectable		 3l8lC-3njbA:
6.80
3l8lD-3njbA:
7.26
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.
3oft CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		3 TRP A  61
ALA A 342
VAL A 340
 HEM  A 417 (-4.1A)
None
None
 0.51A 3l8lC-3oftA:
undetectable
3l8lD-3oftA:
undetectable		 3l8lC-3oftA:
19.64
3l8lD-3oftA:
3.33
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.
3oq3 INTERFERON ALPHA-5

(Mus musculus) 		PF00143
(Interferon) 		3 TRP A 149
ALA A  14
VAL A  19
 None
 0.94A 3l8lC-3oq3A:
undetectable
3l8lD-3oq3A:
undetectable		 3l8lC-3oq3A:
9.02
3l8lD-3oq3A:
9.02
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.
3s6f HYPOTHETICAL
ACETYLTRANSFERASE

(Deinococcus
radiodurans) 		PF13673
(Acetyltransf_10) 		3 TRP A  40
ALA A  21
VAL A  18
 TRP  A  40 ( 0.5A)
ALA  A  21 ( 0.0A)
VAL  A  18 ( 0.5A)
 0.93A 3l8lC-3s6fA:
undetectable
3l8lD-3s6fA:
undetectable		 3l8lC-3s6fA:
7.87
3l8lD-3s6fA:
8.66
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.
3t6s CERJ

(Streptomyces
tendae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		3 TRP A   3
ALA A 251
VAL A 182
 None
 0.94A 3l8lC-3t6sA:
undetectable
3l8lD-3t6sA:
undetectable		 3l8lC-3t6sA:
14.46
3l8lD-3t6sA:
14.46
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.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		3 TRP A 365
ALA A 418
VAL A 363
 None
 0.95A 3l8lC-3ut2A:
undetectable
3l8lD-3ut2A:
undetectable		 3l8lC-3ut2A:
3.08
3l8lD-3ut2A:
3.08
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.
3w36 NAPH1

(Streptomyces
sp. CNQ525) 		no annotation 3 TRP A 146
ALA A 186
VAL A  98
 None
 0.99A 3l8lC-3w36A:
undetectable
3l8lD-3w36A:
undetectable		 3l8lC-3w36A:
4.62
3l8lD-3w36A:
4.62
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.
3w6m 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		3 TRP A 323
ALA A 271
VAL A 298
 None
 0.77A 3l8lC-3w6mA:
undetectable
3l8lD-3w6mA:
undetectable		 3l8lC-3w6mA:
3.53
3l8lD-3w6mA:
3.53
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.
3whe IMMUNOGLOBULIN HEAVY
CHAIN

(Homo sapiens) 		no annotation 3 TRP M  47
ALA M  97
VAL M  37
 None
 0.98A 3l8lC-3wheM:
undetectable
3l8lD-3wheM:
undetectable		 3l8lC-3wheM:
5.20
3l8lD-3wheM:
5.20
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.
4akk NITRATE REGULATORY
PROTEIN

(Klebsiella
oxytoca) 		PF03861
(ANTAR)
PF08376
(NIT) 		3 TRP A  56
ALA A 124
VAL A 118
 None
 0.89A 3l8lC-4akkA:
undetectable
3l8lD-4akkA:
undetectable		 3l8lC-4akkA:
3.24
3l8lD-4akkA:
3.49
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.
4akk NITRATE REGULATORY
PROTEIN

(Klebsiella
oxytoca) 		PF03861
(ANTAR)
PF08376
(NIT) 		3 TRP A  56
ALA A 125
VAL A 118
 None
 0.76A 3l8lC-4akkA:
undetectable
3l8lD-4akkA:
undetectable		 3l8lC-4akkA:
3.24
3l8lD-4akkA:
3.49
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.
4di1 ENOYL-COA HYDRATASE
ECHA17

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		3 TRP A 192
ALA A  49
VAL A  98
 None
 0.95A 3l8lC-4di1A:
undetectable
3l8lD-4di1A:
undetectable		 3l8lC-4di1A:
17.39
3l8lD-4di1A:
6.42
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.
4eb0 LCC

(uncultured
bacterium) 		PF12695
(Abhydrolase_5) 		3 TRP A 259
ALA A 160
VAL A 185
 None
 0.89A 3l8lC-4eb0A:
undetectable
3l8lD-4eb0A:
undetectable		 3l8lC-4eb0A:
16.67
3l8lD-4eb0A:
13.75
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.
4epa PESTICIN RECEPTOR

(Yersinia pestis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 TRP A 513
ALA A 468
VAL A 470
 None
 0.85A 3l8lC-4epaA:
undetectable
3l8lD-4epaA:
undetectable		 3l8lC-4epaA:
2.15
3l8lD-4epaA:
2.15
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.
4fom POLIOVIRUS
RECEPTOR-RELATED
PROTEIN 3

(Homo sapiens) 		PF07686
(V-set)
PF08205
(C2-set_2) 		3 TRP A  70
ALA A  68
VAL A 168
 NAG  A 415 ( 4.1A)
None
NAG  A 415 ( 4.6A)
 0.85A 3l8lC-4fomA:
undetectable
3l8lD-4fomA:
undetectable		 3l8lC-4fomA:
4.86
3l8lD-4fomA:
4.58
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.
4ftd UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		PF15416
(DUF4623) 		3 TRP A 334
ALA A 362
VAL A 323
 None
 0.84A 3l8lC-4ftdA:
undetectable
3l8lD-4ftdA:
undetectable		 3l8lC-4ftdA:
2.43
3l8lD-4ftdA:
4.59
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.
4hi4 AEROTAXIS TRANSDUCER
AER2

(Pseudomonas
aeruginosa) 		PF13188
(PAS_8) 		3 TRP A 283
ALA A 184
VAL A 202
 None
 0.53A 3l8lC-4hi4A:
undetectable
3l8lD-4hi4A:
undetectable		 3l8lC-4hi4A:
8.74
3l8lD-4hi4A:
10.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i6k AMIDOHYDROLASE
FAMILY PROTEIN

(Acinetobacter
baumannii) 		PF04909
(Amidohydro_2) 		3 TRP A 223
ALA A 205
VAL A 189
 None
 0.94A 3l8lC-4i6kA:
undetectable
3l8lD-4i6kA:
undetectable		 3l8lC-4i6kA:
6.03
3l8lD-4i6kA:
6.03
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.
4i9r CELLULAR RETINOIC
ACID-BINDING PROTEIN
2

(Homo sapiens) 		PF00061
(Lipocalin) 		3 TRP A  32
ALA A  35
VAL A  33
 RET  A 201 (-4.5A)
None
None
 0.79A 3l8lC-4i9rA:
undetectable
3l8lD-4i9rA:
undetectable		 3l8lC-4i9rA:
10.48
3l8lD-4i9rA:
14.10
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.
4j4j DNA DC->DU-EDITING
ENZYME APOBEC-3F

(Homo sapiens) 		PF08210
(APOBEC_N) 		3 TRP A 277
ALA A 250
VAL A 242
 None
 0.85A 3l8lC-4j4jA:
undetectable
3l8lD-4j4jA:
undetectable		 3l8lC-4j4jA:
5.67
3l8lD-4j4jA:
5.67
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.
4jpq UNCHARACTERIZED
PROTEIN

(Bacteroides
uniformis) 		PF16011
(CBM9_2) 		3 TRP A 185
ALA A 101
VAL A 103
 None
 0.96A 3l8lC-4jpqA:
undetectable
3l8lD-4jpqA:
undetectable		 3l8lC-4jpqA:
8.11
3l8lD-4jpqA:
6.16
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.
4kna N-SUCCINYLGLUTAMATE
5-SEMIALDEHYDE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00171
(Aldedh) 		3 TRP A 185
ALA A 180
VAL A 182
 None
 0.93A 3l8lC-4knaA:
undetectable
3l8lD-4knaA:
undetectable		 3l8lC-4knaA:
2.72
3l8lD-4knaA:
2.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m2j AMINOTRANSFERASE

(Streptomyces
lavendulae) 		PF00155
(Aminotran_1_2) 		3 TRP A 236
ALA A 239
VAL A  85
 None
 0.96A 3l8lC-4m2jA:
undetectable
3l8lD-4m2jA:
undetectable		 3l8lC-4m2jA:
3.69
3l8lD-4m2jA:
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.
4m7r ANAMORSIN

(Homo sapiens) 		PF08241
(Methyltransf_11) 		3 TRP A  40
ALA A  37
VAL A  68
 None
 1.00A 3l8lC-4m7rA:
undetectable
3l8lD-4m7rA:
undetectable		 3l8lC-4m7rA:
9.91
3l8lD-4m7rA:
6.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mkv RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Pisum sativum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		3 TRP A  70
ALA A  15
VAL A  69
 None
 0.65A 3l8lC-4mkvA:
undetectable
3l8lD-4mkvA:
undetectable		 3l8lC-4mkvA:
3.79
3l8lD-4mkvA:
5.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nme PROLINE
DEHYDROGENASE AND
DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Geobacter
sulfurreducens) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		3 TRP A 310
ALA A 277
VAL A 326
 P5F  A1101 (-3.6A)
None
None
 0.84A 3l8lC-4nmeA:
undetectable
3l8lD-4nmeA:
undetectable		 3l8lC-4nmeA:
2.23
3l8lD-4nmeA:
2.23
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.
4o8a BIFUNCTIONAL PROTEIN
PUTA

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		3 TRP A 438
ALA A 405
VAL A 455
 FAD  A2001 (-3.5A)
None
None
 0.83A 3l8lC-4o8aA:
undetectable
3l8lD-4o8aA:
undetectable		 3l8lC-4o8aA:
3.02
3l8lD-4o8aA:
3.27
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.
4og1 ENOYL-COA
HYDRATASE/ISOMERASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		3 TRP A 103
ALA A 154
VAL A 125
 None
 0.90A 3l8lC-4og1A:
undetectable
3l8lD-4og1A:
undetectable		 3l8lC-4og1A:
7.56
3l8lD-4og1A:
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.
4oqs CYP105AS1

(Amycolatopsis
orientalis) 		PF00067
(p450) 		3 TRP A  48
ALA A 290
VAL A 308
 None
 1.00A 3l8lC-4oqsA:
undetectable
3l8lD-4oqsA:
undetectable		 3l8lC-4oqsA:
3.20
3l8lD-4oqsA:
3.47
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.
4pvi GH62 HYDROLASE

(Mycothermus
thermophilus) 		PF03664
(Glyco_hydro_62) 		3 TRP A  34
ALA A 288
VAL A 290
 None
 0.77A 3l8lC-4pviA:
undetectable
3l8lD-4pviA:
undetectable		 3l8lC-4pviA:
3.27
3l8lD-4pviA:
3.27
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.
4q73 PROLINE
DEHYDROGENASE

(Bradyrhizobium
diazoefficiens) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		3 TRP A 346
ALA A 313
VAL A 363
 FAD  A2001 (-3.6A)
None
None
 0.85A 3l8lC-4q73A:
undetectable
3l8lD-4q73A:
undetectable		 3l8lC-4q73A:
2.58
3l8lD-4q73A:
2.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ziu UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF07678
(A2M_comp) 		3 TRP A1252
ALA A1303
VAL A1308
 None
 0.98A 3l8lC-4ziuA:
undetectable
3l8lD-4ziuA:
undetectable		 3l8lC-4ziuA:
2.53
3l8lD-4ziuA:
2.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a42 UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF11974
(MG1) 		3 TRP A1252
ALA A1303
VAL A1308
 None
 0.95A 3l8lC-5a42A:
undetectable
3l8lD-5a42A:
undetectable		 3l8lC-5a42A:
1.05
3l8lD-5a42A:
2.01
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.
5a7m BETA-XYLOSIDASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		3 TRP A 501
ALA A 578
VAL A 529
 None
 0.79A 3l8lC-5a7mA:
undetectable
3l8lD-5a7mA:
undetectable		 3l8lC-5a7mA:
1.95
3l8lD-5a7mA:
2.28
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		3 TRP A 229
ALA A 166
VAL A 213
 None
 0.79A 3l8lC-5a8rA:
undetectable
3l8lD-5a8rA:
undetectable		 3l8lC-5a8rA:
4.08
3l8lD-5a8rA:
4.37
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.
5aca VP1

(Foot-and-mouth
disease virus) 		PF00073
(Rhv) 		3 TRP 1  89
ALA 1  50
VAL 1 173
 None
 0.86A 3l8lC-5aca1:
undetectable
3l8lD-5aca1:
undetectable		 3l8lC-5aca1:
10.61
3l8lD-5aca1:
10.61
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.
5b22 NECTIN-3

(Mus musculus) 		PF07686
(V-set)
PF08205
(C2-set_2) 		3 TRP A  12
ALA A  10
VAL A 110
 NAG  A 301 (-3.4A)
None
None
 0.96A 3l8lC-5b22A:
undetectable
3l8lD-5b22A:
undetectable		 3l8lC-5b22A:
5.50
3l8lD-5b22A:
5.50
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.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		3 TRP A 368
ALA A 355
VAL A 391
 None
 0.93A 3l8lC-5cjuA:
undetectable
3l8lD-5cjuA:
undetectable		 3l8lC-5cjuA:
2.13
3l8lD-5cjuA:
2.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		3 TRP A 548
ALA A 483
VAL A 485
 None
 0.89A 3l8lC-5clwA:
undetectable
3l8lD-5clwA:
undetectable		 3l8lC-5clwA:
2.52
3l8lD-5clwA:
3.23
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.
5e7l CONTACTIN-2

(Mus musculus) 		PF00041
(fn3) 		3 TRP A 835
ALA A 819
VAL A 821
 None
 0.99A 3l8lC-5e7lA:
undetectable
3l8lD-5e7lA:
undetectable		 3l8lC-5e7lA:
10.67
3l8lD-5e7lA:
10.67
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.
5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Homo sapiens) 		PF00149
(Metallophos) 		3 TRP A 107
ALA A 318
VAL A  43
 None
 0.94A 3l8lC-5ebbA:
undetectable
3l8lD-5ebbA:
undetectable		 3l8lC-5ebbA:
3.98
3l8lD-5ebbA:
3.98
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.
5ewn STRUCTURAL PROTEIN

(Mamastrovirus 1) 		PF03115
(Astro_capsid_N) 		3 TRP A 351
ALA A 376
VAL A 369
 None
 0.92A 3l8lC-5ewnA:
undetectable
3l8lD-5ewnA:
undetectable		 3l8lC-5ewnA:
6.37
3l8lD-5ewnA:
6.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fca ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Mus musculus) 		PF00149
(Metallophos) 		3 TRP A 104
ALA A 315
VAL A  40
 None
 0.95A 3l8lC-5fcaA:
undetectable
3l8lD-5fcaA:
undetectable		 3l8lC-5fcaA:
5.50
3l8lD-5fcaA:
3.90
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.
5g06 EXOSOME COMPLEX
COMPONENT RRP4

(Saccharomyces
cerevisiae) 		PF14382
(ECR1_N)
PF15985
(KH_6) 		3 TRP H 124
ALA H 117
VAL H 119
 None
 0.71A 3l8lC-5g06H:
undetectable
3l8lD-5g06H:
undetectable		 3l8lC-5g06H:
4.71
3l8lD-5g06H:
6.59
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.
5k0t METHIONINE--TRNA
LIGASE

(Brucella suis) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		3 TRP A 109
ALA A 111
VAL A 113
 None
 0.98A 3l8lC-5k0tA:
undetectable
3l8lD-5k0tA:
undetectable		 3l8lC-5k0tA:
5.42
3l8lD-5k0tA:
2.42
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		3 TRP A 374
ALA A 341
VAL A 391
 FAD  A2001 (-3.6A)
None
None
 0.84A 3l8lC-5kf7A:
undetectable
3l8lD-5kf7A:
undetectable		 3l8lC-5kf7A:
1.64
3l8lD-5kf7A:
2.24
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.
5koh NITROGENASE FEMO
BETA SUBUNIT PROTEIN
NIFK

(Gluconacetobacter
diazotrophicus) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		3 TRP B 473
ALA B 478
VAL B 472
 None
 0.59A 3l8lC-5kohB:
undetectable
3l8lD-5kohB:
undetectable		 3l8lC-5kohB:
3.10
3l8lD-5kohB:
3.72
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.
5lpe KALLIKREIN-10

(Homo sapiens) 		PF00089
(Trypsin) 		3 TRP A  29
ALA A  43
VAL A  45
 None
 0.86A 3l8lC-5lpeA:
undetectable
3l8lD-5lpeA:
undetectable		 3l8lC-5lpeA:
11.25
3l8lD-5lpeA:
11.25
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.
5n28 METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanotorris
formicicus) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		3 TRP A 229
ALA A 166
VAL A 213
 None
 0.81A 3l8lC-5n28A:
undetectable
3l8lD-5n28A:
undetectable		 3l8lC-5n28A:
2.32
3l8lD-5n28A:
2.56
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.
5nbi DESIGN OF ANTIBODIES

(Escherichia
coli) 		PF07654
(C1-set)
PF07686
(V-set) 		3 TRP L  39
ALA L  54
VAL L  52
 None
 0.99A 3l8lC-5nbiL:
undetectable
3l8lD-5nbiL:
undetectable		 3l8lC-5nbiL:
13.51
3l8lD-5nbiL:
13.51
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.
5nv3 RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Rhodobacter
sphaeroides) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		3 TRP A  72
ALA A  16
VAL A  71
 None
 0.65A 3l8lC-5nv3A:
undetectable
3l8lD-5nv3A:
undetectable		 3l8lC-5nv3A:
3.90
3l8lD-5nv3A:
4.20
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.
5o7g ALPHA/BETA HYDROLASE
FAMILY PROTEIN

(Bacillus
coagulans) 		no annotation 3 TRP A  80
ALA A  71
VAL A  65
 None
 0.86A 3l8lC-5o7gA:
undetectable
3l8lD-5o7gA:
undetectable		 3l8lC-5o7gA:
undetectable
3l8lD-5o7gA:
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.
5okz EXOSOME COMPLEX
COMPONENT RRP4

(Saccharomyces
cerevisiae) 		PF14382
(ECR1_N)
PF15985
(KH_6) 		3 TRP H 124
ALA H 117
VAL H 119
 None
 0.83A 3l8lC-5okzH:
undetectable
3l8lD-5okzH:
undetectable		 3l8lC-5okzH:
5.08
3l8lD-5okzH:
6.59
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.
5tkm DNA DC->DU-EDITING
ENZYME APOBEC-3B

(Homo sapiens) 		PF08210
(APOBEC_N) 		3 TRP A  94
ALA A  67
VAL A  59
 None
 0.92A 3l8lC-5tkmA:
undetectable
3l8lD-5tkmA:
undetectable		 3l8lC-5tkmA:
6.54
3l8lD-5tkmA:
8.79
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.
5u0s MEDIATOR COMPLEX
SUBUNIT 8
MEDIATOR COMPLEX
SUBUNIT 18

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF10232
(Med8)
PF09637
(Med18) 		3 TRP R 165
ALA H 184
VAL R  10
 None
 0.93A 3l8lC-5u0sR:
undetectable
3l8lD-5u0sR:
undetectable		 3l8lC-5u0sR:
12.33
3l8lD-5u0sR:
6.63
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.
5uld TRANSPORTER, NADC
FAMILY

(Vibrio cholerae) 		PF00939
(Na_sulph_symp) 		3 TRP A  59
ALA A  63
VAL A  66
 None
 0.68A 3l8lC-5uldA:
undetectable
3l8lD-5uldA:
undetectable		 3l8lC-5uldA:
2.97
3l8lD-5uldA:
3.20
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.
5ur2 BIFUNCTIONAL PROTEIN
PUTA

(Bdellovibrio
bacteriovorus) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		3 TRP A 305
ALA A 272
VAL A 321
 P5F  A1001 (-3.7A)
None
None
 0.90A 3l8lC-5ur2A:
undetectable
3l8lD-5ur2A:
undetectable		 3l8lC-5ur2A:
2.82
3l8lD-5ur2A:
2.82
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.
5vf4 UNCHARACTERIZED
PROTEIN

(Thermus
aquaticus) 		PF03781
(FGE-sulfatase) 		3 TRP A 201
ALA A  90
VAL A 373
 None
 0.86A 3l8lC-5vf4A:
undetectable
3l8lD-5vf4A:
undetectable		 3l8lC-5vf4A:
6.06
3l8lD-5vf4A:
7.34
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.
5xeq NEUROLIGIN-2

(Homo sapiens) 		PF00135
(COesterase) 		3 TRP A 460
ALA A 289
VAL A 382
 None
 0.88A 3l8lC-5xeqA:
undetectable
3l8lD-5xeqA:
undetectable		 3l8lC-5xeqA:
2.30
3l8lD-5xeqA:
5.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xsx CHITINASE

(Thermococcus
chitonophagus) 		no annotation 3 TRP A 682
ALA A 646
VAL A 680
 None
 0.89A 3l8lC-5xsxA:
undetectable
3l8lD-5xsxA:
undetectable		 3l8lC-5xsxA:
undetectable
3l8lD-5xsxA:
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.
5yim SDEA

(Legionella
pneumophila) 		no annotation 3 TRP A 394
ALA A 399
VAL A 401
 None
 0.74A 3l8lC-5yimA:
undetectable
3l8lD-5yimA:
undetectable		 3l8lC-5yimA:
undetectable
3l8lD-5yimA:
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.
6a2f -

(-) 		no annotation 3 TRP A 324
ALA A 326
VAL A 330
 None
 0.98A 3l8lC-6a2fA:
undetectable
3l8lD-6a2fA:
undetectable		 3l8lC-6a2fA:
undetectable
3l8lD-6a2fA:
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.
6bt3 V5 FAB HEAVY-CHAIN

(Mus musculus) 		no annotation 3 TRP B  47
ALA B  97
VAL B  37
 None
 0.99A 3l8lC-6bt3B:
undetectable
3l8lD-6bt3B:
undetectable		 3l8lC-6bt3B:
undetectable
3l8lD-6bt3B:
undetectable