SIMILAR PATTERNS OF AMINO ACIDS FOR 4Q5M_A_ROCA1101_3

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.
1am5 PEPSIN

(Gadus morhua) 		PF00026
(Asp) 		3 ASP A 215
ASP A  32
ASN A  37
 None
 0.58A 4q5mA-1am5A:
9.3		 4q5mA-1am5A:
21.88
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.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		3 ASP A 122
ASP A 433
ASN A 436
 None
 0.78A 4q5mA-1b2hA:
undetectable		 4q5mA-1b2hA:
16.89
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.
1g0v PROTEINASE A

(Saccharomyces
cerevisiae) 		PF00026
(Asp) 		3 ASP A 215
ASP A  32
ASN A  37
 None
 0.66A 4q5mA-1g0vA:
9.4		 4q5mA-1g0vA:
23.38
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.
1htr GASTRICSIN

(Homo sapiens) 		PF00026
(Asp) 		3 ASP B 217
ASP B  32
ASN B  37
 None
 0.60A 4q5mA-1htrB:
8.3		 4q5mA-1htrB:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i74 PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
mutans) 		PF01368
(DHH)
PF02833
(DHHA2) 		3 ASP A 149
ASP A  75
ASN A  77
 MN  A 402 ( 2.6A)
MN  A 401 (-2.5A)
None
 0.84A 4q5mA-1i74A:
undetectable		 4q5mA-1i74A:
20.70
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.
1nrw HYPOTHETICAL
PROTEIN, HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacillus
subtilis) 		PF08282
(Hydrolase_3) 		3 ASP A 237
ASP A   7
ASN A  65
 CA  A 903 (-2.9A)
PO4  A 900 ( 2.6A)
None
 0.82A 4q5mA-1nrwA:
undetectable		 4q5mA-1nrwA:
21.28
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.
1o4z BETA-AGARASE B

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		3 ASP A 102
ASP A 103
ASN A  92
 None
 0.81A 4q5mA-1o4zA:
undetectable		 4q5mA-1o4zA:
19.76
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.
1p8r ARGINASE 1

(Rattus
norvegicus) 		PF00491
(Arginase) 		3 ASP A 124
ASP A 128
ASN A 139
 MN  A 500 (-2.6A)
MN  A 501 ( 2.6A)
None
 0.81A 4q5mA-1p8rA:
undetectable		 4q5mA-1p8rA:
22.00
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.
1q0p COMPLEMENT FACTOR B

(Homo sapiens) 		PF00092
(VWA) 		3 ASP A 364
ASP A 251
ASN A 329
 MN  A 500 ( 4.0A)
MN  A 500 ( 4.0A)
None
 0.66A 4q5mA-1q0pA:
undetectable		 4q5mA-1q0pA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qdm PROPHYTEPSIN

(Hordeum vulgare) 		PF00026
(Asp)
PF03489
(SapB_2)
PF05184
(SapB_1) 		3 ASP A 223
ASP A  36
ASN A  41
 None
 0.59A 4q5mA-1qdmA:
9.3		 4q5mA-1qdmA:
19.58
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.
1qrp PEPSIN 3A

(Homo sapiens) 		PF00026
(Asp) 		3 ASP E 215
ASP E  32
ASN E  37
 HH0  E 327 (-2.5A)
HH0  E 327 (-2.7A)
None
 0.52A 4q5mA-1qrpE:
10.2		 4q5mA-1qrpE:
24.48
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.
1qs8 PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		3 ASP A 214
ASP A  34
ASN A  39
 None
 0.53A 4q5mA-1qs8A:
9.9		 4q5mA-1qs8A:
22.78
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.
1rtk COMPLEMENT FACTOR B

(Homo sapiens) 		PF00089
(Trypsin)
PF00092
(VWA) 		3 ASP A 364
ASP A 251
ASN A 329
 MG  A 749 ( 4.4A)
MG  A 749 ( 4.3A)
None
 0.66A 4q5mA-1rtkA:
undetectable		 4q5mA-1rtkA:
15.90
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.
1smr RENIN

(Mus musculus) 		PF00026
(Asp) 		3 ASP A 215
ASP A  32
ASN A  37
 None
 0.71A 4q5mA-1smrA:
5.3		 4q5mA-1smrA:
22.82
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.
1t0p INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA) 		3 ASP A 239
ASP A 137
ASN A 207
 MG  A 901 ( 3.9A)
MG  A 901 ( 4.0A)
None
 0.83A 4q5mA-1t0pA:
undetectable		 4q5mA-1t0pA:
19.90
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.
1toz NEUROGENIC LOCUS
NOTCH HOMOLOG
PROTEIN 1

(Homo sapiens) 		PF00008
(EGF)
PF07645
(EGF_CA) 		3 ASP A 452
ASP A 469
ASN A 459
 None
 0.56A 4q5mA-1tozA:
undetectable		 4q5mA-1tozA:
19.02
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.
1tzs CATHEPSIN E

(Homo sapiens) 		PF00026
(Asp) 		3 ASP A 228
ASP A  43
ASN A  48
 None
 0.61A 4q5mA-1tzsA:
10.0		 4q5mA-1tzsA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wkr POLYPOROPEPSIN

(Irpex lacteus) 		PF00026
(Asp) 		3 ASP A 212
ASP A  32
ASN A  37
 None
 0.55A 4q5mA-1wkrA:
9.8		 4q5mA-1wkrA:
20.99
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.
1y75 PHOSPHOLIPASE A2
ISOFORM 5
PHOSPHOLIPASE A2
ISOFORM 6

(Naja
sagittifera) 		PF00068
(Phospholip_A2_1) 		3 ASP A  24
ASP B  24
ASN B 110
 ZN  A 401 (-2.1A)
ZN  A 401 (-2.1A)
None
 0.56A 4q5mA-1y75A:
undetectable		 4q5mA-1y75A:
19.61
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.
1y75 PHOSPHOLIPASE A2
ISOFORM 5
PHOSPHOLIPASE A2
ISOFORM 6

(Naja
sagittifera) 		PF00068
(Phospholip_A2_1) 		3 ASP B  24
ASP A  24
ASN A 110
 ZN  A 401 (-2.1A)
ZN  A 401 (-2.1A)
None
 0.60A 4q5mA-1y75B:
undetectable		 4q5mA-1y75B:
16.59
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.
2anl PLASMEPSIN IV

(Plasmodium
malariae) 		PF00026
(Asp) 		3 ASP A 214
ASP A  34
ASN A  39
 JE2  A3151 (-2.5A)
JE2  A3151 (-3.0A)
None
 0.65A 4q5mA-2anlA:
9.6		 4q5mA-2anlA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bju PLASMEPSIN II

(Plasmodium
falciparum) 		PF00026
(Asp) 		3 ASP A 214
ASP A  34
ASN A  39
 IH4  A1330 (-3.3A)
IH4  A1330 (-4.2A)
None
 0.84A 4q5mA-2bjuA:
8.9		 4q5mA-2bjuA:
18.53
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.
2bws XAA-PRO
AMINOPEPTIDASE P

(Escherichia
coli) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		3 ASP A 271
ASP A 260
ASN A 230
 MN  A1442 ( 2.4A)
MN  A1442 (-2.0A)
None
 0.84A 4q5mA-2bwsA:
undetectable		 4q5mA-2bwsA:
19.58
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.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox) 		PF00491
(Arginase) 		3 ASP A 122
ASP A 126
ASN A 137
 MN  A 302 (-2.5A)
MN  A 301 ( 2.6A)
None
 0.74A 4q5mA-2cevA:
undetectable		 4q5mA-2cevA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dg0 DRP35

(Staphylococcus
aureus) 		PF08450
(SGL) 		3 ASP A 236
ASP A 138
ASN A  88
 None
 0.79A 4q5mA-2dg0A:
undetectable		 4q5mA-2dg0A:
22.96
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.
2ef4 ARGINASE

(Thermus
thermophilus) 		PF00491
(Arginase) 		3 ASP A 119
ASP A 123
ASN A 134
 None
 0.76A 4q5mA-2ef4A:
undetectable		 4q5mA-2ef4A:
20.68
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.
2ewy BETA-SECRETASE 2

(Homo sapiens) 		PF00026
(Asp) 		3 ASP A 241
ASP A  48
ASN A  53
 DBO  A1001 (-3.2A)
DBO  A1001 (-2.7A)
None
 0.61A 4q5mA-2ewyA:
9.2		 4q5mA-2ewyA:
23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g1s RENIN

(Homo sapiens) 		PF00026
(Asp) 		3 ASP A 221
ASP A  33
ASN A  38
 4IG  A 885 (-2.6A)
4IG  A 885 (-2.7A)
None
 0.60A 4q5mA-2g1sA:
10.6		 4q5mA-2g1sA:
22.09
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.
2i34 ACID PHOSPHATASE

(Bacillus
anthracis) 		PF03767
(Acid_phosphat_B) 		3 ASP A 184
ASP A 180
ASN A  73
 MG  A 301 ( 4.2A)
MG  A 301 (-2.5A)
None
 0.71A 4q5mA-2i34A:
undetectable		 4q5mA-2i34A:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2l1w CALMODULIN

(Glycine max) 		PF13499
(EF-hand_7) 		3 ASP A  95
ASP A  93
ASN A 137
 CA  A 221 (-2.3A)
CA  A 221 (-3.5A)
CA  A 234 (-3.6A)
 0.83A 4q5mA-2l1wA:
undetectable		 4q5mA-2l1wA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mte CELLULOSE
1,4-BETA-CELLOBIOSID
ASE (REDUCING END)
CELS

(Ruminiclostridium
thermocellum) 		PF00404
(Dockerin_1) 		3 ASP A  43
ASP A  50
ASN A  37
 CA  A 102 (-2.1A)
CA  A 102 (-1.9A)
None
 0.60A 4q5mA-2mteA:
undetectable		 4q5mA-2mteA:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2odp COMPLEMENT C2

(Homo sapiens) 		PF00089
(Trypsin)
PF00092
(VWA) 		3 ASP A 356
ASP A 240
ASN A 318
 MG  A 901 ( 4.0A)
MG  A 901 ( 3.9A)
None
 0.72A 4q5mA-2odpA:
undetectable		 4q5mA-2odpA:
18.15
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.
2rhp THROMBOSPONDIN-2

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3) 		3 ASP A 718
ASP A 696
ASN A1017
 CA  A  29 ( 2.3A)
CA  A  28 ( 2.6A)
None
 0.70A 4q5mA-2rhpA:
undetectable		 4q5mA-2rhpA:
15.18
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.
2vdw VACCINIA VIRUS
CAPPING ENZYME D1
SUBUNIT

(Vaccinia virus) 		PF03291
(Pox_MCEL) 		3 ASP A 676
ASP A 604
ASN A 601
 SAH  A1846 ( 4.7A)
SAH  A1846 ( 4.5A)
SO4  A1845 (-4.1A)
 0.83A 4q5mA-2vdwA:
undetectable		 4q5mA-2vdwA:
21.45
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.
2we9 MOBA-RELATED PROTEIN

(Mycobacterium
tuberculosis) 		PF12804
(NTP_transf_3) 		3 ASP A 105
ASP A 183
ASN A  17
 GOL  A1196 (-3.4A)
None
None
 0.84A 4q5mA-2we9A:
undetectable		 4q5mA-2we9A:
23.28
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.
2xwb COMPLEMENT FACTOR B

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin)
PF00092
(VWA) 		3 ASP F 364
ASP F 251
ASN F 329
 MG  F1742 ( 4.2A)
MG  F1742 ( 4.5A)
None
 0.83A 4q5mA-2xwbF:
undetectable		 4q5mA-2xwbF:
13.90
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		3 ASP A 744
ASP A 639
ASN A 717
 None
 0.85A 4q5mA-3ak5A:
undetectable		 4q5mA-3ak5A:
12.27
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.
3bij UNCHARACTERIZED
PROTEIN GSU0716

(Geobacter
sulfurreducens) 		PF00656
(Peptidase_C14) 		3 ASP A 133
ASP A  32
ASN A  27
 None
 0.84A 4q5mA-3bijA:
undetectable		 4q5mA-3bijA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3et5 OUTER MEMBRANE
PROTEIN P4, NADP
PHOSPHATASE

(Haemophilus
influenzae) 		PF03767
(Acid_phosphat_B) 		3 ASP A 185
ASP A 181
ASN A  72
 MG  A 255 ( 4.2A)
MG  A 255 (-2.6A)
None
 0.73A 4q5mA-3et5A:
undetectable		 4q5mA-3et5A:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewe NUCLEOPORIN NUP85

(Saccharomyces
cerevisiae) 		PF07575
(Nucleopor_Nup85) 		3 ASP B 330
ASP B 334
ASN B 342
 None
 0.79A 4q5mA-3eweB:
undetectable		 4q5mA-3eweB:
17.62
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.
3fby CARTILAGE OLIGOMERIC
MATRIX PROTEIN

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		3 ASP A 290
ASP A 271
ASN A 589
 CA  A 802 ( 2.3A)
CA  A 801 ( 2.8A)
None
 0.75A 4q5mA-3fbyA:
undetectable		 4q5mA-3fbyA:
15.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		3 ASP A 664
ASP A 519
ASN A 338
 CA  A 802 (-3.2A)
CA  A 802 (-3.2A)
None
 0.56A 4q5mA-3higA:
undetectable		 4q5mA-3higA:
13.95
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.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		3 ASP B  23
ASP B 466
ASN B  80
 CO  B 563 ( 2.2A)
CO  B 563 (-2.4A)
None
 0.80A 4q5mA-3igzB:
undetectable		 4q5mA-3igzB:
17.10
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.
3jte RESPONSE REGULATOR
RECEIVER PROTEIN

(Ruminiclostridium
thermocellum) 		PF00072
(Response_reg) 		3 ASP A  11
ASP A  10
ASN A  18
 None
 0.85A 4q5mA-3jteA:
undetectable		 4q5mA-3jteA:
23.85
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.
3nvl 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Trypanosoma
brucei) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		3 ASP A  22
ASP A 465
ASN A  79
 CO  A 553 (-2.1A)
CO  A 553 (-2.3A)
None
 0.76A 4q5mA-3nvlA:
undetectable		 4q5mA-3nvlA:
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.
3pct CLASS C ACID
PHOSPHATASE

(Pasteurella
multocida) 		PF03767
(Acid_phosphat_B) 		3 ASP A 184
ASP A 180
ASN A  71
 None
 0.71A 4q5mA-3pctA:
undetectable		 4q5mA-3pctA:
18.15
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.
3psg PEPSINOGEN

(Sus scrofa) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		3 ASP A 215
ASP A  32
ASN A  37
 None
 0.68A 4q5mA-3psgA:
8.5		 4q5mA-3psgA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q2w CADHERIN-2

(Mus musculus) 		PF00028
(Cadherin) 		3 ASP A 331
ASP A 366
ASN A 335
 CA  A 608 (-3.2A)
CA  A 608 ( 3.4A)
None
 0.75A 4q5mA-3q2wA:
undetectable		 4q5mA-3q2wA:
18.95
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.
3q5i PROTEIN KINASE

(Plasmodium
berghei) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		3 ASP A 502
ASP A 498
ASN A 491
 CA  A 526 (-2.9A)
CA  A 526 (-3.1A)
None
 0.82A 4q5mA-3q5iA:
undetectable		 4q5mA-3q5iA:
17.91
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.
3qc5 PLATELET BINDING
PROTEIN GSPB

(Streptococcus
gordonii) 		no annotation 3 ASP X 399
ASP X 427
ASN X 496
 K  X   1 (-2.1A)
K  X   1 ( 2.0A)
None
 0.82A 4q5mA-3qc5X:
undetectable		 4q5mA-3qc5X:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qs1 PLASMEPSIN-1

(Plasmodium
falciparum) 		PF00026
(Asp) 		3 ASP A 215
ASP A  32
ASN A  37
 006  A 330 (-2.8A)
006  A 330 (-2.8A)
None
 0.71A 4q5mA-3qs1A:
10.0		 4q5mA-3qs1A:
22.29
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.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		3 ASP A 216
ASP A 220
ASN A 231
 MN  A 413 (-2.6A)
FB6  A 414 ( 2.6A)
None
 0.83A 4q5mA-3sl1A:
undetectable		 4q5mA-3sl1A:
17.80
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.
3ti7 BASIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE BPRV

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		3 ASP A  74
ASP A  69
ASN A  66
 CA  A 354 ( 2.4A)
CA  A 355 ( 2.3A)
None
 0.83A 4q5mA-3ti7A:
undetectable		 4q5mA-3ti7A:
21.74
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.
3w57 C2 DOMAIN PROTEIN

(Scophthalmus
maximus) 		PF00168
(C2) 		3 ASP A  35
ASP A  88
ASN A  59
 CA  A 201 ( 2.9A)
CA  A 201 ( 2.3A)
None
 0.85A 4q5mA-3w57A:
undetectable		 4q5mA-3w57A:
21.08
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.
4amt RENIN

(Homo sapiens) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		3 ASP A 269
ASP A  81
ASN A  86
 None
 0.59A 4q5mA-4amtA:
6.6		 4q5mA-4amtA:
20.10
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.
4cyf PANTETHEINASE

(Homo sapiens) 		PF00795
(CN_hydrolase) 		3 ASP A  98
ASP A 141
ASN A 189
 None
 0.71A 4q5mA-4cyfA:
undetectable		 4q5mA-4cyfA:
17.59
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.
4dh2 CELLULOSOME
ANCHORING PROTEIN
COHESIN REGION
DOCKERIN TYPE 1

(Ruminiclostridium
thermocellum) 		PF00404
(Dockerin_1)
PF00963
(Cohesin) 		3 ASP B   9
ASP B  20
ASN A 140
 CA  B 101 (-3.3A)
CA  B 101 (-2.1A)
None
 0.74A 4q5mA-4dh2B:
undetectable		 4q5mA-4dh2B:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dni FUSION PROTEIN OF
RNA-EDITING COMPLEX
PROTEINS MP42 AND
MP18

(Trypanosoma
brucei) 		PF00436
(SSB) 		3 ASP A  82
ASP A  84
ASN A 161
 None
 0.77A 4q5mA-4dniA:
undetectable		 4q5mA-4dniA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ehc PE-PGRS FAMILY
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 3 ASP A  36
ASP A 189
ASN A 194
 ZN  A 301 (-2.3A)
ZN  A 301 (-2.0A)
EDO  A 320 (-3.1A)
 0.79A 4q5mA-4ehcA:
11.2		 4q5mA-4ehcA:
22.67
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.
4g9i HYDROGENASE
MATURATION PROTEIN
HYPF

(Thermococcus
kodakarensis) 		PF00708
(Acylphosphatase)
PF00814
(Peptidase_M22)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		3 ASP A 509
ASP A 746
ASN A 427
 ZN  A1003 (-2.2A)
ZN  A1003 (-2.4A)
None
 0.74A 4q5mA-4g9iA:
undetectable		 4q5mA-4g9iA:
13.60
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.
4h3w HYPOTHETICAL PROTEIN

(Parabacteroides
distasonis) 		PF15414
(DUF4621) 		3 ASP A  90
ASP A 200
ASN A 206
 MLY  A  91 ( 4.2A)
MLY  A 202 ( 4.0A)
MLY  A 202 ( 3.4A)
 0.77A 4q5mA-4h3wA:
undetectable		 4q5mA-4h3wA:
18.58
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.
4hxq ARGINASE-1

(Homo sapiens) 		PF00491
(Arginase) 		3 ASP A 124
ASP A 128
ASN A 139
 MN  A 903 (-2.5A)
MN  A 903 ( 2.6A)
None
 0.75A 4q5mA-4hxqA:
undetectable		 4q5mA-4hxqA:
24.42
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.
4iu4 ARGINASE

(Leishmania
mexicana) 		PF00491
(Arginase) 		3 ASP A 137
ASP A 141
ASN A 152
 MN  A 401 (-2.6A)
MN  A 401 ( 2.5A)
None
 0.75A 4q5mA-4iu4A:
undetectable		 4q5mA-4iu4A:
22.09
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.
4ixu ARGINASE-2,
MITOCHONDRIAL

(Homo sapiens) 		PF00491
(Arginase) 		3 ASP A 143
ASP A 147
ASN A 158
 MN  A 401 (-2.5A)
38I  A 406 ( 2.5A)
None
 0.82A 4q5mA-4ixuA:
undetectable		 4q5mA-4ixuA:
19.94
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.
4jo0 CMLA

(Streptomyces
venezuelae) 		PF12706
(Lactamase_B_2) 		3 ASP A 309
ASP A 403
ASN A 459
 FE  A 602 (-2.2A)
FE  A 602 ( 2.6A)
None
 0.81A 4q5mA-4jo0A:
undetectable		 4q5mA-4jo0A:
16.23
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.
4pv4 PROLINE
AMINOPEPTIDASE P II

(Yersinia pestis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		3 ASP A 269
ASP A 258
ASN A 228
 MG  A 501 ( 2.5A)
MG  A 501 ( 2.0A)
None
 0.80A 4q5mA-4pv4A:
undetectable		 4q5mA-4pv4A:
19.72
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.
4q3r ARGINASE

(Schistosoma
mansoni) 		PF00491
(Arginase) 		3 ASP A 154
ASP A 158
ASN A 169
 MN  A 401 (-2.6A)
MN  A 401 ( 2.5A)
None
 0.76A 4q5mA-4q3rA:
undetectable		 4q5mA-4q3rA:
22.08
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.
4rcd BETA-SECRETASE 1

(Homo sapiens) 		PF00026
(Asp) 		3 ASP A  32
ASP A 228
ASN A 233
 3LL  A 501 (-2.8A)
3LL  A 501 (-2.6A)
None
 0.57A 4q5mA-4rcdA:
9.3		 4q5mA-4rcdA:
19.76
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.
4rcd BETA-SECRETASE 1

(Homo sapiens) 		PF00026
(Asp) 		3 ASP A 228
ASP A  32
ASN A  37
 3LL  A 501 (-2.6A)
3LL  A 501 (-2.8A)
None
 0.62A 4q5mA-4rcdA:
9.3		 4q5mA-4rcdA:
19.76
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.
4rn7 N-ACETYLMURAMOYL-L-A
LANINE AMIDASE

(Clostridioides
difficile) 		PF01520
(Amidase_3) 		3 ASP A 143
ASP A 171
ASN A 128
 None
 0.75A 4q5mA-4rn7A:
undetectable		 4q5mA-4rn7A:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rpa PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Staphylococcus
aureus) 		PF01368
(DHH)
PF02833
(DHHA2) 		3 ASP A 149
ASP A  75
ASN A  77
 MN  A 500 (-2.6A)
MN  A 500 ( 2.4A)
None
 0.82A 4q5mA-4rpaA:
undetectable		 4q5mA-4rpaA:
18.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uaq PROTEIN TRANSLOCASE
SUBUNIT SECA 2

(Mycobacterium
tuberculosis) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		3 ASP A 224
ASP A 219
ASN A 540
 None
 0.80A 4q5mA-4uaqA:
undetectable		 4q5mA-4uaqA:
13.00
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.
4xj5 CYCLIC AMP-GMP
SYNTHASE

(Vibrio cholerae) 		no annotation 3 ASP A 133
ASP A 131
ASN A 121
 MG  A1001 ( 2.7A)
MG  A1002 (-2.0A)
None
 0.84A 4q5mA-4xj5A:
undetectable		 4q5mA-4xj5A:
19.38
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 3 ASP A 131
ASP A 129
ASN A 119
 MG  A 501 ( 2.5A)
MG  A 502 (-2.2A)
None
 0.72A 4q5mA-4xj6A:
undetectable		 4q5mA-4xj6A:
16.63
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.
4xru PNKP1

(Capnocytophaga
gingivalis) 		PF13671
(AAA_33) 		3 ASP A 288
ASP A 287
ASN A 265
 MG  A 401 (-2.2A)
MG  A 401 ( 4.8A)
None
 0.80A 4q5mA-4xruA:
undetectable		 4q5mA-4xruA:
19.87
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.
4yg8 CHITIN BIOSYNTHESIS
PROTEIN CHS6

(Saccharomyces
cerevisiae) 		PF09295
(ChAPs) 		3 ASP B 588
ASP B 592
ASN B 510
 None
 0.76A 4q5mA-4yg8B:
undetectable		 4q5mA-4yg8B:
14.15
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.
4zng PROLIDASE

(Lactococcus
lactis) 		no annotation 3 ASP C 221
ASP C 232
ASN C 324
 MN  C 401 (-2.2A)
MN  C 401 (-2.2A)
None
 0.83A 4q5mA-4zngC:
undetectable		 4q5mA-4zngC:
19.78
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.
5cde PROLINE DIPEPTIDASE

(Xanthomonas
campestris) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		3 ASP A 251
ASP A 262
ASN A 359
 ZN  A 402 (-2.0A)
ZN  A 402 ( 2.3A)
None
 0.82A 4q5mA-5cdeA:
undetectable		 4q5mA-5cdeA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eyy CENTROLOBIUM
TOMENTOSUM LECTIN

(Centrolobium
tomentosum) 		PF00139
(Lectin_legB) 		3 ASP A 131
ASP A 142
ASN A 137
 CA  A 302 ( 2.1A)
MN  A 303 ( 2.7A)
MDM  A 304 (-2.9A)
 0.83A 4q5mA-5eyyA:
undetectable		 4q5mA-5eyyA:
18.87
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.
5foe GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2,THROMBOSPONDIN-1

(Caenorhabditis
elegans;
Homo sapiens) 		PF00090
(TSP_1)
PF10250
(O-FucT) 		3 ASP A 259
ASP A 248
ASN A 241
 None
 0.54A 4q5mA-5foeA:
undetectable		 4q5mA-5foeA:
17.18
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.
5fqe BETA-N-ACETYLGALACTO
SAMINIDASE

(Clostridium
perfringens) 		PF13320
(DUF4091) 		3 ASP A  42
ASP A 512
ASN A 570
 None
None
BR  A1632 (-4.8A)
 0.85A 4q5mA-5fqeA:
undetectable		 4q5mA-5fqeA:
15.78
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.
5hj2 INTEGRIN ALPHA-2

(Homo sapiens) 		no annotation 3 ASP C 118
ASP C  15
ASN C  86
 CA  C 301 (-3.4A)
CA  C 301 ( 4.5A)
None
 0.74A 4q5mA-5hj2C:
undetectable		 4q5mA-5hj2C:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i70 PLASMEPSIN IV

(Plasmodium
falciparum) 		no annotation 3 ASP B 214
ASP B  34
ASN B  39
 None
 0.47A 4q5mA-5i70B:
10.1		 4q5mA-5i70B:
18.95
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.
5jqk PEPTIDASE, PUTATIVE

(Plasmodium
falciparum) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		3 ASP A 570
ASP A 581
ASN A 675
 MN  A 802 ( 1.9A)
MN  A 802 (-2.2A)
None
 0.69A 4q5mA-5jqkA:
undetectable		 4q5mA-5jqkA:
15.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ksd ATPASE 2, PLASMA
MEMBRANE-TYPE

(Arabidopsis
thaliana) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		3 ASP A 275
ASP A  92
ASN A  85
 None
 0.74A 4q5mA-5ksdA:
undetectable		 4q5mA-5ksdA:
14.66
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.
5mkt RENIN-1

(Mus musculus) 		no annotation 3 ASP A 266
ASP A  81
ASN A  86
 None
 0.80A 4q5mA-5mktA:
9.1		 4q5mA-5mktA:
19.51
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.
5mlg RENIN

(Rattus
norvegicus) 		no annotation 3 ASP A 266
ASP A  81
ASN A  86
 None
 0.66A 4q5mA-5mlgA:
9.9		 4q5mA-5mlgA:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus) 		no annotation 3 ASP A 227
ASP A  36
ASN A  41
 None
 0.55A 4q5mA-5n7qA:
10.0		 4q5mA-5n7qA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5pep PEPSIN

(Sus scrofa) 		PF00026
(Asp) 		3 ASP A 215
ASP A  32
ASN A  37
 None
 0.51A 4q5mA-5pepA:
9.7		 4q5mA-5pepA:
20.56
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.
5t4m PROTOCADHERIN-15

(Homo sapiens) 		PF00028
(Cadherin) 		3 ASP A 516
ASP A 514
ASN A 575
 CA  A 704 ( 3.3A)
CA  A 705 (-2.1A)
None
 0.84A 4q5mA-5t4mA:
undetectable		 4q5mA-5t4mA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u1c HIV-1 INTEGRASE,
SSO7D CHIMERA

(Human
immunodeficiency
virus 1;
Sulfolobus
solfataricus) 		PF00552
(IN_DBD_C)
PF00665
(rve)
PF02022
(Integrase_Zn) 		3 ASP A  64
ASP A 116
ASN A 144
 MG  A 501 (-1.8A)
MG  A 501 (-2.8A)
None
 0.68A 4q5mA-5u1cA:
undetectable		 4q5mA-5u1cA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5udy ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 7

(Homo sapiens) 		PF01663
(Phosphodiest) 		3 ASP A 187
ASP A 189
ASN A  31
 None
 0.68A 4q5mA-5udyA:
undetectable		 4q5mA-5udyA:
18.69
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.
5ux4 CATHEPSIN D

(Rattus
norvegicus) 		no annotation 3 ASP A 226
ASP A  33
ASN A  38
 3UT  A 404 (-2.4A)
3UT  A 404 (-2.9A)
None
 0.57A 4q5mA-5ux4A:
9.9		 4q5mA-5ux4A:
16.75
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.
5v8f ORIGIN RECOGNITION
COMPLEX SUBUNIT 2
ORIGIN RECOGNITION
COMPLEX SUBUNIT 3
ORIGIN RECOGNITION
COMPLEX SUBUNIT 5

(Saccharomyces
cerevisiae) 		PF04084
(ORC2)
PF13401
(AAA_22)
PF14630
(ORC5_C)
no annotation 		3 ASP C 111
ASP B 466
ASN E 423
 None
 0.65A 4q5mA-5v8fC:
undetectable		 4q5mA-5v8fC:
16.13
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.
5wkh T-CELL RECEPTOR
ALPHA VARIABLE
30,T-CELL RECEPTOR,
SP3.4 ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968) 		3 ASP D 163
ASP D 161
ASN D 197
 None
 0.73A 4q5mA-5wkhD:
undetectable		 4q5mA-5wkhD:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wtl OMPA FAMILY PROTEIN

(Capnocytophaga
gingivalis) 		no annotation 3 ASP A 281
ASP A 283
ASN A 301
 CA  A1008 ( 2.8A)
CA  A1007 ( 2.7A)
None
 0.77A 4q5mA-5wtlA:
undetectable		 4q5mA-5wtlA:
15.27
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.
5wtl OMPA FAMILY PROTEIN

(Capnocytophaga
gingivalis) 		no annotation 3 ASP A 310
ASP A 312
ASN A 330
 CA  A1009 ( 2.8A)
CA  A1009 ( 2.7A)
None
 0.69A 4q5mA-5wtlA:
undetectable		 4q5mA-5wtlA:
15.27
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.
6bm8 ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		no annotation 3 ASP A 608
ASP A 579
ASN A 112
 None
 0.76A 4q5mA-6bm8A:
undetectable		 4q5mA-6bm8A:
16.26
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.
6ej2 BETA-SECRETASE 1

(Homo sapiens) 		no annotation 3 ASP A 441
ASP A 637
ASN A 642
 B7E  A 901 (-2.9A)
B7E  A 901 (-2.6A)
None
 0.63A 4q5mA-6ej2A:
9.1		 4q5mA-6ej2A:
21.20
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.
6ej2 BETA-SECRETASE 1

(Homo sapiens) 		no annotation 3 ASP A 637
ASP A 441
ASN A 446
 B7E  A 901 (-2.6A)
B7E  A 901 (-2.9A)
B7E  A 901 (-4.2A)
 0.50A 4q5mA-6ej2A:
9.1		 4q5mA-6ej2A:
21.20