SIMILAR PATTERNS OF AMINO ACIDS FOR 5KM8_B_L8PB201_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.
1axn ANNEXIN III

(Homo sapiens) 		PF00191
(Annexin) 		4 GLN A 125
ALA A 132
GLN A 131
SER A 130
 None
 1.18A 5km8A-1axnA:
undetectable
5km8B-1axnA:
undetectable		 5km8A-1axnA:
20.31
5km8B-1axnA:
20.31
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.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		4 GLN A 330
ALA A 387
GLN A 386
SER A 385
 None
 0.88A 5km8A-1dabA:
undetectable
5km8B-1dabA:
undetectable		 5km8A-1dabA:
13.91
5km8B-1dabA:
13.91
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.
1dun DEOXYURIDINE
5'-TRIPHOSPHATE
NUCLEOTIDOHYDROLASE

(Equine
infectious
anemia virus) 		PF00692
(dUTPase) 		4 GLN A 101
ALA A  60
GLN A  62
SER A  58
 None
 1.17A 5km8A-1dunA:
undetectable
5km8B-1dunA:
undetectable		 5km8A-1dunA:
24.38
5km8B-1dunA:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ecg GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE

(Escherichia
coli) 		PF00156
(Pribosyltran)
PF13522
(GATase_6) 		4 GLN A  24
ALA A 212
SER A 208
HIS A  25
 None
 1.10A 5km8A-1ecgA:
undetectable
5km8B-1ecgA:
undetectable		 5km8A-1ecgA:
14.88
5km8B-1ecgA:
14.88
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.
1ems NIT-FRAGILE
HISTIDINE TRIAD
FUSION PROTEIN

(Caenorhabditis
elegans) 		PF00795
(CN_hydrolase)
PF01230
(HIT) 		4 ALA A 384
GLN A 386
HIS A 392
HIS A 394
 None
None
None
NA  A 459 (-3.9A)
 1.07A 5km8A-1emsA:
11.8
5km8B-1emsA:
11.6		 5km8A-1emsA:
16.82
5km8B-1emsA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f0k UDP-N-ACETYLGLUCOSAM
INE-N-ACETYLMURAMYL-
(PENTAPEPTIDE)
PYROPHOSPHORYL-UNDEC
APRENOL
N-ACETYLGLUCOSAMINE
TRANSFERASE

(Escherichia
coli) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		4 GLN A 147
ALA A 264
SER A 268
HIS A 125
 None
 1.01A 5km8A-1f0kA:
undetectable
5km8B-1f0kA:
undetectable		 5km8A-1f0kA:
17.50
5km8B-1f0kA:
17.50
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.
1hxj BETA-GLUCOSIDASE

(Zea mays) 		PF00232
(Glyco_hydro_1) 		4 TRP A  38
GLN A 142
SER A  46
HIS A  53
 None
 1.19A 5km8A-1hxjA:
undetectable
5km8B-1hxjA:
undetectable		 5km8A-1hxjA:
14.79
5km8B-1hxjA:
14.79
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.
1k8q TRIACYLGLYCEROL
LIPASE, GASTRIC

(Canis lupus) 		PF00561
(Abhydrolase_1) 		4 TRP A 275
GLN A 154
ALA A 278
GLN A 285
 C11  A2001 ( 3.7A)
None
None
None
 1.14A 5km8A-1k8qA:
undetectable
5km8B-1k8qA:
undetectable		 5km8A-1k8qA:
18.40
5km8B-1k8qA:
18.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kpb HUMAN PROTEIN KINASE
C INTERACTING
PROTEIN 1 (ZINC
PROTEIN)

(Homo sapiens) 		PF01230
(HIT) 		5 GLN A  47
ASN A  99
GLN A 106
HIS A 112
HIS A 114
 None
 0.28A 5km8A-1kpbA:
18.6
5km8B-1kpbA:
22.1		 5km8A-1kpbA:
55.00
5km8B-1kpbA:
55.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kpb HUMAN PROTEIN KINASE
C INTERACTING
PROTEIN 1 (ZINC
PROTEIN)

(Homo sapiens) 		PF01230
(HIT) 		5 GLN A  47
ASN A  99
GLN A 106
SER A 107
HIS A 114
 None
 0.63A 5km8A-1kpbA:
18.6
5km8B-1kpbA:
22.1		 5km8A-1kpbA:
55.00
5km8B-1kpbA:
55.00
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.
1p7n GAG POLYPROTEIN
CAPSID PROTEIN P27

(Rous sarcoma
virus) 		no annotation 4 GLN A  78
ALA A 139
GLN A 138
SER A 135
 None
 1.14A 5km8A-1p7nA:
undetectable
5km8B-1p7nA:
undetectable		 5km8A-1p7nA:
24.28
5km8B-1p7nA:
24.28
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.
1p7o PHOSPHOLIPASE A2

(Micropechis
ikaheca) 		PF00068
(Phospholip_A2_1) 		4 ASN A 116
ALA A  21
SER A  23
HIS A 117
 None
 1.16A 5km8A-1p7oA:
undetectable
5km8B-1p7oA:
undetectable		 5km8A-1p7oA:
20.83
5km8B-1p7oA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qax PROTEIN
(3-HYDROXY-3-METHYLG
LUTARYL-COENZYME A
REDUCTASE)

(Pseudomonas
mevalonii) 		PF00368
(HMG-CoA_red) 		4 GLN A 232
ASN A 100
ALA A  99
HIS A 314
 None
 0.99A 5km8A-1qaxA:
undetectable
5km8B-1qaxA:
undetectable		 5km8A-1qaxA:
15.90
5km8B-1qaxA:
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.
1qpw PORCINE HEMOGLOBIN
(ALPHA SUBUNIT)

(Sus scrofa) 		PF00042
(Globin) 		4 TRP A  14
ALA A  21
GLN A  20
HIS A 113
 None
 1.01A 5km8A-1qpwA:
undetectable
5km8B-1qpwA:
undetectable		 5km8A-1qpwA:
24.38
5km8B-1qpwA:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uiy ENOYL-COA HYDRATASE

(Thermus
thermophilus) 		PF00378
(ECH_1) 		4 GLN A   3
ALA A  34
GLN A  33
SER A  30
 None
 1.07A 5km8A-1uiyA:
undetectable
5km8B-1uiyA:
undetectable		 5km8A-1uiyA:
21.07
5km8B-1uiyA:
21.07
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.
1uqx LECTIN

(Ralstonia
solanacearum) 		PF07472
(PA-IIL) 		4 ASN A  24
ALA A  23
GLN A  26
SER A  43
 MMA  A1116 (-3.8A)
MMA  A1116 (-3.4A)
None
None
 0.89A 5km8A-1uqxA:
undetectable
5km8B-1uqxA:
undetectable		 5km8A-1uqxA:
24.52
5km8B-1uqxA:
24.52
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.
1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		4 ALA A 196
SER A 198
HIS A 268
HIS A 282
 None
None
FE  A 400 (-3.4A)
FE  A 400 ( 3.3A)
 1.03A 5km8A-1vljA:
undetectable
5km8B-1vljA:
undetectable		 5km8A-1vljA:
16.26
5km8B-1vljA:
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.
1y23 HISTIDINE TRIAD
PROTEIN

(Bacillus
subtilis) 		PF01230
(HIT) 		5 ASN A  89
GLN A  96
SER A  97
HIS A 102
HIS A 104
 None
 0.55A 5km8A-1y23A:
12.3
5km8B-1y23A:
15.3		 5km8A-1y23A:
24.07
5km8B-1y23A:
24.07
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.
2ayd WRKY TRANSCRIPTION
FACTOR 1

(Arabidopsis
thaliana) 		PF03106
(WRKY) 		4 TRP A 312
SER A 333
HIS A 363
HIS A 361
 None
SIN  A 401 (-2.9A)
ZN  A 369 (-3.2A)
ZN  A 369 (-3.1A)
 1.17A 5km8A-2aydA:
undetectable
5km8B-2aydA:
undetectable		 5km8A-2aydA:
20.98
5km8B-2aydA:
20.98
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.
2cuy MALONYL COA-[ACYL
CARRIER PROTEIN]
TRANSACYLASE

(Thermus
thermophilus) 		PF00698
(Acyl_transf_1) 		4 GLN A   9
ASN A 154
ALA A 153
HIS A  88
 None
 1.13A 5km8A-2cuyA:
undetectable
5km8B-2cuyA:
undetectable		 5km8A-2cuyA:
22.41
5km8B-2cuyA:
22.41
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.
2eo4 150AA LONG
HYPOTHETICAL
HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN

(Sulfurisphaera
tokodaii) 		PF01230
(HIT) 		4 ASN A  83
GLN A  90
HIS A  96
HIS A  98
 PO4  A 202 ( 3.8A)
None
PO4  A 202 ( 3.7A)
PO4  A 202 ( 4.0A)
 0.24A 5km8A-2eo4A:
10.9
5km8B-2eo4A:
13.6		 5km8A-2eo4A:
22.28
5km8B-2eo4A:
22.28
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.
2h1y MALONYL COENZYME
A-ACYL CARRIER
PROTEIN TRANSACYLASE

(Helicobacter
pylori) 		PF00698
(Acyl_transf_1) 		4 GLN A  10
ASN A 157
ALA A 156
HIS A  91
 None
 1.18A 5km8A-2h1yA:
undetectable
5km8B-2h1yA:
undetectable		 5km8A-2h1yA:
16.89
5km8B-2h1yA:
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.
2i9e TRIOSEPHOSPHATE
ISOMERASE

(Tenebrio
molitor) 		PF00121
(TIM) 		4 GLN A 206
ALA A 220
GLN A 222
HIS A 184
 None
 1.12A 5km8A-2i9eA:
undetectable
5km8B-2i9eA:
undetectable		 5km8A-2i9eA:
21.88
5km8B-2i9eA:
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.
2iny HEXON PROTEIN

(Fowl
aviadenovirus A) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		4 ALA A 444
SER A 441
HIS A 507
HIS A 506
 None
 1.18A 5km8A-2inyA:
undetectable
5km8B-2inyA:
undetectable		 5km8A-2inyA:
8.84
5km8B-2inyA:
8.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iou PERTACTIN
EXTRACELLULAR DOMAIN

(Bordetella
bronchiseptica) 		PF03212
(Pertactin) 		4 GLN G 363
ALA G 420
GLN G 419
SER G 418
 None
 0.92A 5km8A-2iouG:
undetectable
5km8B-2iouG:
undetectable		 5km8A-2iouG:
13.77
5km8B-2iouG:
13.77
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.
2o3j UDP-GLUCOSE
6-DEHYDROGENASE

(Caenorhabditis
elegans) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 GLN A 285
ALA A 235
GLN A 236
SER A 239
 None
 1.07A 5km8A-2o3jA:
undetectable
5km8B-2o3jA:
undetectable		 5km8A-2o3jA:
17.39
5km8B-2o3jA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p9b POSSIBLE PROLIDASE

(Bifidobacterium
longum) 		PF01979
(Amidohydro_1) 		4 GLN A 248
ALA A 245
HIS A  77
HIS A 266
 None
 1.16A 5km8A-2p9bA:
undetectable
5km8B-2p9bA:
undetectable		 5km8A-2p9bA:
16.17
5km8B-2p9bA:
16.17
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.
2qc3 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Mycobacterium
tuberculosis) 		PF00698
(Acyl_transf_1) 		4 GLN A   9
ASN A 155
ALA A 154
HIS A  90
 ACY  A 500 (-3.8A)
None
None
None
 1.15A 5km8A-2qc3A:
undetectable
5km8B-2qc3A:
undetectable		 5km8A-2qc3A:
21.18
5km8B-2qc3A:
21.18
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.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		4 GLN A 160
ASN A 304
HIS A  60
HIS A  62
 None
None
ZN  A 501 (-3.3A)
ZN  A 501 (-3.3A)
 1.05A 5km8A-2qt3A:
undetectable
5km8B-2qt3A:
undetectable		 5km8A-2qt3A:
15.54
5km8B-2qt3A:
15.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wfb PUTATIVE
UNCHARACTERIZED
PROTEIN ORP

(Desulfovibrio
gigas) 		PF02579
(Nitro_FeMo-Co) 		4 GLN A  61
ASN A  45
ALA A  47
GLN A  49
 None
None
None
ACT  A1124 (-4.3A)
 1.10A 5km8A-2wfbA:
undetectable
5km8B-2wfbA:
undetectable		 5km8A-2wfbA:
24.31
5km8B-2wfbA:
24.31
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.
2wtb FATTY ACID
MULTIFUNCTIONAL
PROTEIN (ATMFP2)

(Arabidopsis
thaliana) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 ASN A 358
ALA A 357
SER A 361
HIS A 455
 None
 1.07A 5km8A-2wtbA:
undetectable
5km8B-2wtbA:
undetectable		 5km8A-2wtbA:
12.28
5km8B-2wtbA:
12.28
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.
2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 TRP A 315
ASN A  14
ALA A 318
HIS A  50
 None
 1.14A 5km8A-2xf8A:
undetectable
5km8B-2xf8A:
undetectable		 5km8A-2xf8A:
18.32
5km8B-2xf8A:
18.32
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.
2yfk ASPARTATE/ORNITHINE
CARBAMOYLTRANSFERASE

(Enterococcus
faecalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 GLN A 142
ASN A 110
ALA A 109
SER A 113
 None
 1.00A 5km8A-2yfkA:
undetectable
5km8B-2yfkA:
undetectable		 5km8A-2yfkA:
17.53
5km8B-2yfkA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		4 GLN A 608
ALA A 643
GLN A 637
HIS A 609
 None
 1.04A 5km8A-2zzgA:
undetectable
5km8B-2zzgA:
undetectable		 5km8A-2zzgA:
11.98
5km8B-2zzgA:
11.98
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.
3acp WD REPEAT-CONTAINING
PROTEIN YGL004C

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 GLN A 156
ALA A  98
GLN A 387
SER A 386
 None
 1.15A 5km8A-3acpA:
undetectable
5km8B-3acpA:
undetectable		 5km8A-3acpA:
17.63
5km8B-3acpA:
17.63
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.
3aiv BETA-GLUCOSIDASE

(Secale cereale) 		PF00232
(Glyco_hydro_1) 		4 TRP A  48
GLN A 150
SER A  56
HIS A  63
 None
 1.18A 5km8A-3aivA:
undetectable
5km8B-3aivA:
undetectable		 5km8A-3aivA:
12.93
5km8B-3aivA:
12.93
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.
3c8v PUTATIVE
ACETYLTRANSFERASE

(Desulfovibrio
alaskensis) 		no annotation 4 ALA A 285
GLN A 283
SER A 282
HIS A 317
 None
None
None
EDO  A 490 (-4.1A)
 0.99A 5km8A-3c8vA:
undetectable
5km8B-3c8vA:
undetectable		 5km8A-3c8vA:
14.35
5km8B-3c8vA:
14.35
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.
3fg4 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 GLN A 753
ASN A 947
HIS A 762
HIS A 757
 ACY  A2203 (-2.6A)
FE2  A1500 (-3.7A)
FE2  A1500 (-3.2A)
FE2  A1500 (-3.3A)
 1.19A 5km8A-3fg4A:
undetectable
5km8B-3fg4A:
undetectable		 5km8A-3fg4A:
12.55
5km8B-3fg4A:
12.55
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.
3gqj CELL INHIBITING
FACTOR (CIF)

(Photorhabdus
laumondii) 		PF16374
(CIF) 		4 GLN A 128
GLN A 200
SER A 201
HIS A 181
 None
None
GOL  A 310 ( 4.2A)
None
 1.01A 5km8A-3gqjA:
undetectable
5km8B-3gqjA:
undetectable		 5km8A-3gqjA:
19.08
5km8B-3gqjA:
19.08
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.
3hbu SECRETED PROTEASE C

(Dickeya
chrysanthemi) 		PF00353
(HemolysinCabind)
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		4 TRP P 112
ALA P 245
GLN P 184
HIS P 226
 None
None
None
ZN  P 487 (-3.8A)
 1.06A 5km8A-3hbuP:
undetectable
5km8B-3hbuP:
undetectable		 5km8A-3hbuP:
12.63
5km8B-3hbuP:
12.63
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.
3imi HIT FAMILY PROTEIN

(Bacillus
anthracis) 		PF01230
(HIT) 		4 ASN A  90
GLN A  97
HIS A 103
HIS A 105
 SO4  A 145 (-3.9A)
None
SO4  A 145 (-3.8A)
SO4  A 145 (-4.1A)
 0.21A 5km8A-3imiA:
12.7
5km8B-3imiA:
16.0		 5km8A-3imiA:
26.67
5km8B-3imiA:
26.67
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.
3iyj MAJOR CAPSID PROTEIN
L1

(Deltapapillomavirus
4) 		no annotation 4 GLN F 151
ASN F  64
ALA F  63
GLN F  65
 None
 1.14A 5km8A-3iyjF:
undetectable
5km8B-3iyjF:
undetectable		 5km8A-3iyjF:
16.26
5km8B-3iyjF:
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.
3j9e VP5

(Bluetongue
virus) 		PF00901
(Orbi_VP5) 		4 ALA D 359
GLN D 361
HIS D 385
HIS D 412
 None
 1.09A 5km8A-3j9eD:
undetectable
5km8B-3j9eD:
undetectable		 5km8A-3j9eD:
15.78
5km8B-3j9eD:
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.
3kf3 INVERTASE

(Schwanniomyces
occidentalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 GLN A 296
ASN A 264
ALA A 252
GLN A 265
 None
 1.16A 5km8A-3kf3A:
undetectable
5km8B-3kf3A:
undetectable		 5km8A-3kf3A:
13.98
5km8B-3kf3A:
13.98
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.
3ksv UNCHARACTERIZED
PROTEIN

(Leishmania
major) 		PF01230
(HIT) 		4 ASN A  87
GLN A  94
HIS A 100
HIS A 102
 None
 0.25A 5km8A-3ksvA:
12.1
5km8B-3ksvA:
14.2		 5km8A-3ksvA:
23.35
5km8B-3ksvA:
23.35
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.
3l7x PUTATIVE HIT-LIKE
PROTEIN INVOLVED IN
CELL-CYCLE
REGULATION

(Streptococcus
mutans) 		PF01230
(HIT) 		5 ASN A  86
ALA A  91
GLN A  93
HIS A  99
HIS A 101
 NA  A 141 (-3.9A)
None
None
NA  A 141 (-3.7A)
NA  A 141 (-4.1A)
 1.19A 5km8A-3l7xA:
11.5
5km8B-3l7xA:
14.6		 5km8A-3l7xA:
29.48
5km8B-3l7xA:
29.48
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.
3ldf PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.776

(Streptococcus
mutans) 		PF10672
(Methyltrans_SAM) 		4 GLN A  54
ASN A 335
ALA A 334
SER A 374
 None
 1.14A 5km8A-3ldfA:
undetectable
5km8B-3ldfA:
undetectable		 5km8A-3ldfA:
17.65
5km8B-3ldfA:
17.65
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.
3lsc TRIAZINE HYDROLASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		4 ALA A 159
SER A 161
HIS A  65
HIS A  63
 None
None
ZN  A 458 ( 3.2A)
ZN  A 458 (-3.3A)
 0.97A 5km8A-3lscA:
undetectable
5km8B-3lscA:
undetectable		 5km8A-3lscA:
14.91
5km8B-3lscA:
14.91
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.
3o0m HIT FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF01230
(HIT) 		5 ASN A  86
ALA A  91
GLN A  93
HIS A  99
HIS A 101
 AMP  A 155 (-4.1A)
None
None
AMP  A 155 (-3.7A)
AMP  A 155 (-3.8A)
 1.42A 5km8A-3o0mA:
11.5
5km8B-3o0mA:
14.4		 5km8A-3o0mA:
26.99
5km8B-3o0mA:
26.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oxk PUTATIVE HISTIDINE
TRIAD FAMILY PROTEIN

(Entamoeba
histolytica) 		PF01230
(HIT) 		5 ASN A  86
ALA A  91
GLN A  93
HIS A  99
HIS A 101
 5GP  A 125 (-3.7A)
None
None
5GP  A 125 (-3.9A)
5GP  A 125 (-4.1A)
 1.12A 5km8A-3oxkA:
15.2
5km8B-3oxkA:
18.2		 5km8A-3oxkA:
33.81
5km8B-3oxkA:
33.81
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.
3pvt PHENYLACETIC ACID
DEGRADATION PROTEIN
PAAA

(Escherichia
coli) 		PF05138
(PaaA_PaaC) 		4 ASN A 132
ALA A 135
GLN A 133
HIS A  38
 3HC  A 310 (-3.0A)
None
3HC  A 310 (-3.4A)
3HC  A 310 (-3.2A)
 1.10A 5km8A-3pvtA:
undetectable
5km8B-3pvtA:
undetectable		 5km8A-3pvtA:
17.80
5km8B-3pvtA:
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.
3pwz SHIKIMATE
DEHYDROGENASE 3

(Pseudomonas
putida) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		4 TRP A 253
ASN A  60
ALA A  88
HIS A  21
 None
 1.13A 5km8A-3pwzA:
undetectable
5km8B-3pwzA:
undetectable		 5km8A-3pwzA:
20.22
5km8B-3pwzA:
20.22
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.
3q5e ATLASTIN-1

(Homo sapiens) 		PF02263
(GBP) 		4 GLN A 337
ALA A 350
GLN A 349
SER A 346
 None
 1.05A 5km8A-3q5eA:
undetectable
5km8B-3q5eA:
undetectable		 5km8A-3q5eA:
14.29
5km8B-3q5eA:
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.
3r6f HIT FAMILY PROTEIN

(Encephalitozoon
cuniculi) 		PF01230
(HIT) 		4 ASN A  80
GLN A  85
HIS A  91
HIS A  93
 SO4  A 133 (-3.7A)
None
SO4  A 133 (-3.6A)
SO4  A 133 (-4.3A)
 0.27A 5km8A-3r6fA:
12.4
5km8B-3r6fA:
14.5		 5km8A-3r6fA:
22.89
5km8B-3r6fA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ttf TRANSCRIPTIONAL
REGULATORY PROTEIN

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		4 GLN A 488
GLN A 721
SER A 722
HIS A 487
 None
 1.11A 5km8A-3ttfA:
undetectable
5km8B-3ttfA:
undetectable		 5km8A-3ttfA:
12.87
5km8B-3ttfA:
12.87
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.
3zqb PROTEIN PRGI, CELL
INVASION PROTEIN
SIPD

(Salmonella
enterica) 		PF06511
(IpaD)
PF09392
(T3SS_needle_F) 		4 GLN A  26
ALA A  46
GLN A  48
SER A  49
 None
 1.09A 5km8A-3zqbA:
undetectable
5km8B-3zqbA:
undetectable		 5km8A-3zqbA:
18.77
5km8B-3zqbA:
18.77
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.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		4 GLN V 247
ALA V 432
HIS V 421
HIS V 243
 None
 1.13A 5km8A-4bxsV:
undetectable
5km8B-4bxsV:
undetectable		 5km8A-4bxsV:
6.93
5km8B-4bxsV:
6.93
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.
4c0d CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF04054
(Not1) 		4 ASN A2272
ALA A2271
GLN A2273
HIS A2114
 None
 1.03A 5km8A-4c0dA:
undetectable
5km8B-4c0dA:
undetectable		 5km8A-4c0dA:
11.81
5km8B-4c0dA:
11.81
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.
4dvh SUPEROXIDE DISMUTASE

(Trypanosoma
cruzi) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TRP A 127
ALA A 161
HIS A  28
HIS A  79
 None
None
FE  A 301 (-3.3A)
FE  A 301 (-3.2A)
 1.18A 5km8A-4dvhA:
undetectable
5km8B-4dvhA:
undetectable		 5km8A-4dvhA:
20.38
5km8B-4dvhA:
20.38
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.
4eg2 CYTIDINE DEAMINASE

(Vibrio cholerae) 		PF00383
(dCMP_cyt_deam_1)
PF08211
(dCMP_cyt_deam_2) 		4 GLN A 134
ALA A 142
SER A 174
HIS A 204
 None
 1.13A 5km8A-4eg2A:
undetectable
5km8B-4eg2A:
undetectable		 5km8A-4eg2A:
17.80
5km8B-4eg2A:
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.
4egu HISTIDINE TRIAD
(HIT) PROTEIN

(Clostridioides
difficile) 		PF01230
(HIT) 		4 ASN A  89
GLN A  96
HIS A 102
HIS A 104
 5GP  A 201 ( 3.9A)
K  A 203 (-4.1A)
5GP  A 201 ( 2.0A)
5GP  A 201 (-2.3A)
 0.41A 5km8A-4eguA:
15.6
5km8B-4eguA:
18.9		 5km8A-4eguA:
30.00
5km8B-4eguA:
30.00
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.
4h3e SUPEROXIDE DISMUTASE

(Trypanosoma
cruzi) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TRP A 158
ALA A 192
HIS A  59
HIS A 110
 None
None
FE2  A 301 (-3.4A)
FE2  A 301 (-3.3A)
 1.12A 5km8A-4h3eA:
undetectable
5km8B-4h3eA:
undetectable		 5km8A-4h3eA:
21.15
5km8B-4h3eA:
21.15
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.
4imm OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFGL

(Moraxella
catarrhalis) 		PF13360
(PQQ_2) 		4 GLN A  48
ALA A 380
GLN A 381
SER A 382
 None
None
NA  A 401 (-2.9A)
None
 1.14A 5km8A-4immA:
undetectable
5km8B-4immA:
undetectable		 5km8A-4immA:
18.21
5km8B-4immA:
18.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ini HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL

(Homo sapiens) 		PF01230
(HIT) 		6 GLN A  84
ASN A 136
ALA A 142
GLN A 143
SER A 144
HIS A 151
 1PE  A 202 ( 4.2A)
AMP  A 201 (-3.8A)
1PE  A 202 ( 4.0A)
None
AMP  A 201 ( 2.6A)
AMP  A 201 (-4.1A)
 0.25A 5km8A-4iniA:
21.1
5km8B-4iniA:
20.1		 5km8A-4iniA:
91.55
5km8B-4iniA:
91.55
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.
4ipv FIMU PROTEIN

(Pseudomonas
aeruginosa) 		PF12019
(GspH) 		4 GLN A  45
ALA A  51
GLN A  54
SER A  53
 None
 0.98A 5km8A-4ipvA:
undetectable
5km8B-4ipvA:
undetectable		 5km8A-4ipvA:
22.97
5km8B-4ipvA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ka8 OLIGOPEPTIDASE A

(Arabidopsis
thaliana) 		PF01432
(Peptidase_M3) 		4 GLN A 653
ASN A 782
ALA A 646
SER A 400
 None
GOL  A 803 ( 4.8A)
None
None
 1.15A 5km8A-4ka8A:
undetectable
5km8B-4ka8A:
undetectable		 5km8A-4ka8A:
12.23
5km8B-4ka8A:
12.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njz HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL

(Homo sapiens) 		PF01230
(HIT) 		6 GLN A  84
ASN A 136
ALA A 142
GLN A 143
HIS A 149
HIS A 151
 None
None
None
None
None
SO4  A 201 (-4.8A)
 0.25A 5km8A-4njzA:
19.7
5km8B-4njzA:
23.9		 5km8A-4njzA:
85.28
5km8B-4njzA:
85.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njz HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL

(Homo sapiens) 		PF01230
(HIT) 		6 GLN A  84
ASN A 136
ALA A 142
GLN A 143
SER A 144
HIS A 151
 None
None
None
None
SO4  A 201 (-2.8A)
SO4  A 201 (-4.8A)
 0.51A 5km8A-4njzA:
19.7
5km8B-4njzA:
23.9		 5km8A-4njzA:
85.28
5km8B-4njzA:
85.28
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.
4nox EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT B

(Chaetomium
thermophilum) 		PF08662
(eIF2A) 		4 ASN A 278
ALA A 294
SER A 292
HIS A 237
 None
 0.87A 5km8A-4noxA:
undetectable
5km8B-4noxA:
undetectable		 5km8A-4noxA:
11.38
5km8B-4noxA:
11.38
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.
4nre ARACHIDONATE
15-LIPOXYGENASE B

(Homo sapiens) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ALA A 558
SER A 611
HIS A 373
HIS A 368
 GOL  A 718 (-3.2A)
None
C8E  A 702 ( 3.5A)
None
 1.14A 5km8A-4nreA:
undetectable
5km8B-4nreA:
undetectable		 5km8A-4nreA:
13.27
5km8B-4nreA:
13.27
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.
4ojz PUTATIVE ALGINATE
LYASE

(Saccharophagus
degradans) 		PF05426
(Alginate_lyase)
PF07940
(Hepar_II_III) 		4 ASN A 201
ALA A 258
HIS A 202
HIS A 200
 MAV  A 803 ( 4.1A)
None
MAV  A 803 (-3.8A)
LGU  A 802 ( 4.2A)
 1.08A 5km8A-4ojzA:
undetectable
5km8B-4ojzA:
undetectable		 5km8A-4ojzA:
13.07
5km8B-4ojzA:
13.07
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.
4pri TK3 TCR BETA CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLN E   6
ALA E  78
GLN E  79
HIS E  86
 None
 1.14A 5km8A-4priE:
undetectable
5km8B-4priE:
undetectable		 5km8A-4priE:
19.59
5km8B-4priE:
19.59
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.
4r1p L-ARABINOSE
ISOMERASE

(Geobacillus
kaustophilus) 		PF02610
(Arabinose_Isome)
PF11762
(Arabinose_Iso_C) 		4 GLN A 126
ALA A  24
HIS A  31
HIS A  82
 None
 0.83A 5km8A-4r1pA:
undetectable
5km8B-4r1pA:
undetectable		 5km8A-4r1pA:
15.38
5km8B-4r1pA:
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.
4ru5 TAILSPIKE GP27

(Pseudomonas
phage phi297) 		no annotation 4 GLN A 689
ALA A 735
SER A 692
HIS A 738
 None
 1.06A 5km8A-4ru5A:
undetectable
5km8B-4ru5A:
undetectable		 5km8A-4ru5A:
12.63
5km8B-4ru5A:
12.63
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.
4u7m LEUCINE-RICH REPEATS
AND
IMMUNOGLOBULIN-LIKE
DOMAINS PROTEIN 1

(Homo sapiens) 		PF07679
(I-set)
PF13927
(Ig_3) 		4 ALA A 519
SER A 517
HIS A 547
HIS A 549
 None
 1.07A 5km8A-4u7mA:
undetectable
5km8B-4u7mA:
undetectable		 5km8A-4u7mA:
18.46
5km8B-4u7mA:
18.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zgl UNCHARACTERIZED
HIT-LIKE PROTEIN
HP_0404

(Helicobacter
pylori) 		PF01230
(HIT) 		4 ASN A  82
GLN A  89
HIS A  95
HIS A  97
 None
 0.26A 5km8A-4zglA:
13.5
5km8B-4zglA:
16.9		 5km8A-4zglA:
30.67
5km8B-4zglA:
30.67
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.
5a3y THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 GLN A 246
ALA A 309
GLN A 308
SER A 305
 None
 0.94A 5km8A-5a3yA:
undetectable
5km8B-5a3yA:
undetectable		 5km8A-5a3yA:
14.07
5km8B-5a3yA:
14.07
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.
5ce6 FACT-SPT16

(Cicer arietinum) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		4 GLN A 410
ALA A 374
GLN A 335
SER A 406
 None
None
None
ACT  A 502 (-3.1A)
 1.07A 5km8A-5ce6A:
undetectable
5km8B-5ce6A:
undetectable		 5km8A-5ce6A:
14.74
5km8B-5ce6A:
14.74
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.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 GLN A  56
ASN A 600
ALA A  31
HIS A 596
 None
 1.05A 5km8A-5chcA:
undetectable
5km8B-5chcA:
undetectable		 5km8A-5chcA:
10.18
5km8B-5chcA:
10.18
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.
5cs2 HISTIDINE TRIAD
PROTEIN

(Plasmodium
falciparum) 		PF01230
(HIT) 		4 ALA A 107
GLN A 109
HIS A 115
HIS A 117
 None
 1.06A 5km8A-5cs2A:
11.0
5km8B-5cs2A:
10.7		 5km8A-5cs2A:
16.06
5km8B-5cs2A:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e4m HYDROXYNITRILE LYASE

(Davallia
tyermannii) 		no annotation 4 GLN A  64
ALA A  94
GLN A  98
HIS A  91
 None
None
HBA  A 203 (-4.1A)
HBA  A 203 (-3.4A)
 1.07A 5km8A-5e4mA:
undetectable
5km8B-5e4mA:
undetectable		 5km8A-5e4mA:
20.20
5km8B-5e4mA:
20.20
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.
5fu7 CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF04054
(Not1) 		4 ASN A2272
ALA A2271
GLN A2273
HIS A2114
 None
 1.05A 5km8A-5fu7A:
undetectable
5km8B-5fu7A:
undetectable		 5km8A-5fu7A:
15.52
5km8B-5fu7A:
15.52
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.
5fxn THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 GLN A 246
ALA A 309
GLN A 308
SER A 305
 None
 0.96A 5km8A-5fxnA:
undetectable
5km8B-5fxnA:
undetectable		 5km8A-5fxnA:
17.72
5km8B-5fxnA:
17.72
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.
5gjy BETA-2-MICROGLOBULIN
MHC CLASS I ANTIGEN

(Anas
platyrhynchos) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 TRP A 243
GLN B  13
ALA A 244
SER A 201
 None
 1.04A 5km8A-5gjyA:
undetectable
5km8B-5gjyA:
undetectable		 5km8A-5gjyA:
20.37
5km8B-5gjyA:
20.37
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.
5gmk PRE-MRNA-SPLICING
FACTOR CWC22

(Saccharomyces
cerevisiae) 		PF02847
(MA3) 		4 GLN Z  38
ALA Z  81
SER Z  85
HIS Z  41
 None
 0.97A 5km8A-5gmkZ:
undetectable
5km8B-5gmkZ:
undetectable		 5km8A-5gmkZ:
12.21
5km8B-5gmkZ:
12.21
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.
5kci UNCHARACTERIZED
PROTEIN YPL067C

(Saccharomyces
cerevisiae) 		PF12239
(DUF3605) 		5 ASN A 154
GLN A 159
SER A 160
HIS A 166
HIS A 168
 SO4  A 203 (-3.9A)
None
SO4  A 203 (-4.4A)
SO4  A 203 (-3.9A)
SO4  A 203 (-4.0A)
 0.87A 5km8A-5kciA:
3.6
5km8B-5kciA:
4.4		 5km8A-5kciA:
23.56
5km8B-5kciA:
23.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5km5 HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL

(Homo sapiens) 		PF01230
(HIT) 		6 GLN A  84
ASN A 136
ALA A 142
GLN A 143
SER A 144
HIS A 151
 None
CL  A 201 (-4.3A)
None
None
CL  A 201 (-3.5A)
CL  A 201 (-4.5A)
 0.53A 5km8A-5km5A:
22.0
5km8B-5km5A:
19.7		 5km8A-5km5A:
100.00
5km8B-5km5A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lki TCDA1

(Photorhabdus
luminescens) 		PF03538
(VRP1) 		4 GLN A2195
ALA A2092
GLN A2093
SER A2094
 None
 1.15A 5km8A-5lkiA:
undetectable
5km8B-5lkiA:
undetectable		 5km8A-5lkiA:
5.27
5km8B-5lkiA:
5.27
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.
5mue ALPHA-TOCOPHEROL
TRANSFER PROTEIN

(Homo sapiens) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		4 TRP A 163
ALA A 168
GLN A 170
SER A 166
 None
 1.05A 5km8A-5mueA:
undetectable
5km8B-5mueA:
undetectable		 5km8A-5mueA:
21.05
5km8B-5mueA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mwl INOSITOL-PENTAKISPHO
SPHATE 2-KINASE

(Mus musculus) 		PF06090
(Ins_P5_2-kin) 		4 GLN A 412
ALA A 430
SER A 432
HIS A 129
 None
None
None
ZN  A 504 (-3.5A)
 1.19A 5km8A-5mwlA:
undetectable
5km8B-5mwlA:
undetectable		 5km8A-5mwlA:
13.66
5km8B-5mwlA:
13.66
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.
5nh0 REPLICASE
POLYPROTEIN 1AB

(Human
coronavirus
NL63) 		no annotation 4 TRP A 233
GLN A 267
ALA A 236
HIS A 270
 None
 1.05A 5km8A-5nh0A:
undetectable
5km8B-5nh0A:
undetectable		 5km8A-5nh0A:
18.57
5km8B-5nh0A:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5szr PROTEIN PCDHGB2

(Mus musculus) 		PF00028
(Cadherin) 		4 GLN A 494
ASN A 528
ALA A 566
SER A 568
 None
CA  A 713 (-4.9A)
None
None
 1.07A 5km8A-5szrA:
undetectable
5km8B-5szrA:
undetectable		 5km8A-5szrA:
16.10
5km8B-5szrA:
16.10
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.
5tjr METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Pseudomonas sp.
AAC) 		PF00171
(Aldedh) 		4 ASN A 251
ALA A 282
SER A 284
HIS A 252
 None
 1.05A 5km8A-5tjrA:
undetectable
5km8B-5tjrA:
undetectable		 5km8A-5tjrA:
15.89
5km8B-5tjrA:
15.89
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.
5u2a AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Brucella canis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ASN A 357
ALA A 370
HIS A 358
HIS A 363
 None
 1.16A 5km8A-5u2aA:
undetectable
5km8B-5u2aA:
undetectable		 5km8A-5u2aA:
12.95
5km8B-5u2aA:
12.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uvm HISTIDINE TRIAD
(HIT) PROTEIN

(Ruminiclostridium
thermocellum) 		PF11969
(DcpS_C) 		5 ASN A  87
ALA A  92
GLN A  94
HIS A 100
HIS A 102
 UNX  A 203 ( 4.2A)
None
None
UNX  A 202 ( 3.6A)
UNX  A 203 ( 4.5A)
 1.18A 5km8A-5uvmA:
16.4
5km8B-5uvmA:
20.0		 5km8A-5uvmA:
33.33
5km8B-5uvmA:
33.33
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.
5w4x UDP-GLUCOSE
6-DEHYDROGENASE

(Homo sapiens) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 GLN A 278
ALA A 228
GLN A 229
SER A 232
 None
 1.08A 5km8A-5w4xA:
undetectable
5km8B-5w4xA:
undetectable		 5km8A-5w4xA:
16.20
5km8B-5w4xA:
16.20
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.
5w57 PERIPLASMIC SOLUTE
BINDING PROTEIN

(Paracoccus
denitrificans) 		PF01297
(ZnuA) 		4 ALA A 280
SER A 278
HIS A 138
HIS A  61
 None
None
ZN  A 401 (-3.4A)
ZN  A 401 (-3.2A)
 1.11A 5km8A-5w57A:
undetectable
5km8B-5w57A:
undetectable		 5km8A-5w57A:
19.29
5km8B-5w57A:
19.29
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.
5zcs TARGET OF RAPAMYCIN
COMPLEX SUBUNIT LST8

(Homo sapiens) 		no annotation 4 GLN C  63
GLN C  41
HIS C  40
HIS C  64
 None
 1.05A 5km8A-5zcsC:
undetectable
5km8B-5zcsC:
undetectable		 5km8A-5zcsC:
15.44
5km8B-5zcsC:
15.44
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.
6bja ACETYL-COA
ACETYLTRANSFERASE A

(Ascaris suum) 		no annotation 4 GLN A  84
ASN A  68
ALA A  70
GLN A  72
 None
 1.01A 5km8A-6bjaA:
undetectable
5km8B-6bjaA:
undetectable		 5km8A-6bjaA:
22.07
5km8B-6bjaA:
22.07
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.
6d6j HIT FAMILY HYDROLASE

(Legionella
pneumophila) 		no annotation 5 GLN A  33
ASN A  86
GLN A  93
HIS A  99
HIS A 101
 None
 0.41A 5km8A-6d6jA:
18.1
5km8B-6d6jA:
21.0		 5km8A-6d6jA:
27.87
5km8B-6d6jA:
27.87