SIMILAR PATTERNS OF AMINO ACIDS FOR 3U9F_J_CLMJ221

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.
1aux SYNAPSIN IA

(Bos taurus) 		PF02078
(Synapsin)
PF02750
(Synapsin_C) 		5 SER A 390
SER A 212
LEU A 116
VAL A 143
VAL A 410
 None
 1.28A 3u9fJ-1auxA:
0.0
3u9fK-1auxA:
0.0		 3u9fJ-1auxA:
19.29
3u9fK-1auxA:
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.
1aux SYNAPSIN IA

(Bos taurus) 		PF02078
(Synapsin)
PF02750
(Synapsin_C) 		5 SER A 390
SER A 212
VAL A 143
PHE A 130
VAL A 410
 None
 1.34A 3u9fJ-1auxA:
0.0
3u9fK-1auxA:
0.0		 3u9fJ-1auxA:
19.29
3u9fK-1auxA:
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.
1c4o DNA NUCLEOTIDE
EXCISION REPAIR
ENZYME UVRB

(Thermus
thermophilus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF12344
(UvrB) 		5 THR A  33
SER A 399
PHE A 394
PHE A 374
VAL A 339
 None
 1.40A 3u9fJ-1c4oA:
0.5
3u9fK-1c4oA:
1.5		 3u9fJ-1c4oA:
14.57
3u9fK-1c4oA:
14.57
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.
1cvr GINGIPAIN R

(Porphyromonas
gingivalis) 		PF01364
(Peptidase_C25)
PF03785
(Peptidase_C25_C) 		5 TYR A 131
PHE A 310
LEU A 298
PHE A 240
VAL A 313
 None
 1.15A 3u9fJ-1cvrA:
0.0
3u9fK-1cvrA:
0.0		 3u9fJ-1cvrA:
19.55
3u9fK-1cvrA:
19.55
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.
1ds6 RHO GDP-DISSOCIATION
INHIBITOR 2

(Homo sapiens) 		PF02115
(Rho_GDI) 		5 PHE B 141
VAL B  69
PHE B 178
VAL B 143
HIS B 112
 None
 1.29A 3u9fJ-1ds6B:
0.0
3u9fK-1ds6B:
0.0		 3u9fJ-1ds6B:
19.09
3u9fK-1ds6B:
19.09
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.
1fcp PROTEIN (FERRIC
HYDROXAMATE UPTAKE
RECEPTOR)

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 SER A  33
SER A  51
LEU A  70
VAL A  66
VAL A  53
 None
 1.39A 3u9fJ-1fcpA:
0.0
3u9fK-1fcpA:
0.0		 3u9fJ-1fcpA:
15.45
3u9fK-1fcpA:
15.45
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.
1gng GLYCOGEN SYNTHASE
KINASE-3 BETA

(Homo sapiens) 		PF00069
(Pkinase) 		5 THR A 152
LEU A 247
PHE A 339
VAL A 158
CYH A 317
 None
 1.42A 3u9fJ-1gngA:
0.1
3u9fK-1gngA:
undetectable		 3u9fJ-1gngA:
16.62
3u9fK-1gngA:
16.62
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.
1hdf SPHERULIN 3A

(Physarum
polycephalum) 		PF08964
(Crystall_3) 		5 THR A  56
LEU A  17
VAL A  47
PHE A  37
VAL A  30
 None
 1.37A 3u9fJ-1hdfA:
undetectable
3u9fK-1hdfA:
0.0		 3u9fJ-1hdfA:
18.69
3u9fK-1hdfA:
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.
1jg3 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01135
(PCMT) 		5 SER A 102
LEU A  84
VAL A  39
PHE A  43
VAL A  80
 None
 1.41A 3u9fJ-1jg3A:
0.0
3u9fK-1jg3A:
0.0		 3u9fJ-1jg3A:
20.80
3u9fK-1jg3A:
20.80
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.
1kqj A/G-SPECIFIC ADENINE
GLYCOSYLASE

(Escherichia
coli) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		5 PHE A 180
LEU A 204
VAL A 144
VAL A  10
CYH A 148
 None
SF4  A 300 ( 4.7A)
SF4  A 300 ( 4.4A)
None
None
 1.37A 3u9fJ-1kqjA:
undetectable
3u9fK-1kqjA:
undetectable		 3u9fJ-1kqjA:
22.48
3u9fK-1kqjA:
22.48
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.
1lrz FACTOR ESSENTIAL FOR
EXPRESSION OF
METHICILLIN
RESISTANCE

(Staphylococcus
aureus) 		PF02388
(FemAB) 		5 PHE A  70
LEU A  93
VAL A  43
VAL A  97
CYH A  56
 None
 1.22A 3u9fJ-1lrzA:
0.0
3u9fK-1lrzA:
0.0		 3u9fJ-1lrzA:
19.41
3u9fK-1lrzA:
19.41
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.
1m54 CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		PF00291
(PALP) 		5 SER A 326
SER A 254
LEU A 374
VAL A 372
CYH A 346
 None
PLP  A1110 ( 4.3A)
None
None
None
 1.09A 3u9fJ-1m54A:
undetectable
3u9fK-1m54A:
undetectable		 3u9fJ-1m54A:
19.73
3u9fK-1m54A:
19.73
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 THR A  66
PHE A  11
LEU A 107
VAL A  43
VAL A 100
 None
 1.19A 3u9fJ-1mz5A:
undetectable
3u9fK-1mz5A:
undetectable		 3u9fJ-1mz5A:
17.19
3u9fK-1mz5A:
17.19
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.
1nlf REGULATORY PROTEIN
REPA

(Escherichia
coli) 		PF13481
(AAA_25) 		5 SER A 210
PHE A 236
LEU A 136
VAL A  71
VAL A  23
 None
 1.31A 3u9fJ-1nlfA:
undetectable
3u9fK-1nlfA:
undetectable		 3u9fJ-1nlfA:
21.26
3u9fK-1nlfA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nm3 PROTEIN HI0572

(Haemophilus
influenzae) 		PF00462
(Glutaredoxin)
PF08534
(Redoxin) 		5 SER A 124
PHE A 105
LEU A  73
VAL A  36
PHE A  31
 None
 1.35A 3u9fJ-1nm3A:
undetectable
3u9fK-1nm3A:
undetectable		 3u9fJ-1nm3A:
24.12
3u9fK-1nm3A:
24.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pd5 CHLORAMPHENICOL
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00302
(CAT) 		10 THR A  93
SER A 104
TYR A 133
PHE A 134
PHE A 144
SER A 146
LEU A 158
VAL A 160
PHE A 166
VAL A 170
 None
 0.53A 3u9fJ-1pd5A:
34.7
3u9fK-1pd5A:
34.3		 3u9fJ-1pd5A:
100.00
3u9fK-1pd5A:
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.
1pk6 COMPLEMENT C1Q
SUBCOMPONENT, A
CHAIN PRECURSOR

(Homo sapiens) 		PF00386
(C1q) 		5 SER A 145
LEU A 151
VAL A 195
PHE A 111
VAL A 143
 None
 1.00A 3u9fJ-1pk6A:
undetectable
3u9fK-1pk6A:
undetectable		 3u9fJ-1pk6A:
18.54
3u9fK-1pk6A:
18.54
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.
1pk8 RAT SYNAPSIN I

(Rattus
norvegicus) 		PF02078
(Synapsin)
PF02750
(Synapsin_C) 		5 SER A 390
SER A 212
LEU A 116
VAL A 143
VAL A 410
 None
 1.33A 3u9fJ-1pk8A:
undetectable
3u9fK-1pk8A:
undetectable		 3u9fJ-1pk8A:
19.66
3u9fK-1pk8A:
19.66
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.
1pk8 RAT SYNAPSIN I

(Rattus
norvegicus) 		PF02078
(Synapsin)
PF02750
(Synapsin_C) 		5 SER A 390
SER A 212
VAL A 143
PHE A 130
VAL A 410
 None
 1.38A 3u9fJ-1pk8A:
undetectable
3u9fK-1pk8A:
undetectable		 3u9fJ-1pk8A:
19.66
3u9fK-1pk8A:
19.66
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.
1sxl SEX-LETHAL PROTEIN
PROTEIN

(Drosophila
melanogaster) 		PF00076
(RRM_1) 		5 SER A  84
LEU A  87
VAL A  60
PHE A  34
VAL A  78
 None
 1.42A 3u9fJ-1sxlA:
undetectable
3u9fK-1sxlA:
undetectable		 3u9fJ-1sxlA:
17.94
3u9fK-1sxlA:
17.94
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.
1vdc NADPH DEPENDENT
THIOREDOXIN
REDUCTASE

(Arabidopsis
thaliana) 		PF07992
(Pyr_redox_2) 		5 PHE A 251
LEU A  96
VAL A 108
VAL A  87
CYH A   9
 FAD  A 400 ( 3.7A)
None
None
None
None
 1.34A 3u9fJ-1vdcA:
undetectable
3u9fK-1vdcA:
undetectable		 3u9fJ-1vdcA:
20.57
3u9fK-1vdcA:
20.57
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.
1yzy HYPOTHETICAL PROTEIN
HI1011

(Haemophilus
influenzae) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 PHE A 213
LEU A 206
VAL A 195
PHE A 182
VAL A 210
 None
 1.30A 3u9fJ-1yzyA:
undetectable
3u9fK-1yzyA:
undetectable		 3u9fJ-1yzyA:
20.24
3u9fK-1yzyA:
20.24
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.
1zyb TRANSCRIPTION
REGULATOR, CRP
FAMILY

(Bacteroides
thetaiotaomicron) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		5 THR A   7
PHE A  54
LEU A  31
VAL A  29
VAL A 108
 None
 1.09A 3u9fJ-1zybA:
undetectable
3u9fK-1zybA:
undetectable		 3u9fJ-1zybA:
23.32
3u9fK-1zybA:
23.32
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.
2a1x PHYTANOYL-COA
DIOXYGENASE

(Homo sapiens) 		PF05721
(PhyH) 		5 PHE A  81
LEU A 140
VAL A 143
PHE A 282
VAL A 331
 None
 1.33A 3u9fJ-2a1xA:
undetectable
3u9fK-2a1xA:
undetectable		 3u9fJ-2a1xA:
20.39
3u9fK-2a1xA:
20.39
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.
2amc PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 PHE B 114
SER B 113
LEU B  89
VAL B  46
VAL B  72
 None
 1.14A 3u9fJ-2amcB:
1.1
3u9fK-2amcB:
undetectable		 3u9fJ-2amcB:
13.12
3u9fK-2amcB:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ap1 PUTATIVE REGULATOR
PROTEIN

(Salmonella
enterica) 		PF00480
(ROK) 		5 TYR A  36
LEU A  96
VAL A  47
VAL A 100
CYH A  44
 None
 1.37A 3u9fJ-2ap1A:
undetectable
3u9fK-2ap1A:
undetectable		 3u9fJ-2ap1A:
20.92
3u9fK-2ap1A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bx6 XRP2 PROTEIN

(Homo sapiens) 		PF07986
(TBCC) 		5 LEU A 125
VAL A 127
PHE A 117
VAL A 119
CYH A 110
 None
 1.22A 3u9fJ-2bx6A:
undetectable
3u9fK-2bx6A:
undetectable		 3u9fJ-2bx6A:
18.52
3u9fK-2bx6A:
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.
2e5o ACTIVATING SIGNAL
COINTEGRATOR 1

(Homo sapiens) 		PF04266
(ASCH) 		5 SER A 108
LEU A  20
VAL A  84
VAL A  12
CYH A 114
 None
 1.40A 3u9fJ-2e5oA:
undetectable
3u9fK-2e5oA:
undetectable		 3u9fJ-2e5oA:
17.73
3u9fK-2e5oA:
17.73
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.
2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF01661
(Macro) 		5 TYR A 114
PHE A 117
LEU A 161
VAL A 165
VAL A 156
 None
 1.15A 3u9fJ-2favA:
undetectable
3u9fK-2favA:
undetectable		 3u9fJ-2favA:
22.55
3u9fK-2favA:
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.
2fg5 RAS-RELATED PROTEIN
RAB-31

(Homo sapiens) 		PF00071
(Ras) 		5 SER A  41
LEU A  10
VAL A  82
PHE A 159
VAL A  22
 None
 1.40A 3u9fJ-2fg5A:
undetectable
3u9fK-2fg5A:
undetectable		 3u9fJ-2fg5A:
17.33
3u9fK-2fg5A:
17.33
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.
2ld7 PAIRED AMPHIPATHIC
HELIX PROTEIN SIN3A

(Mus musculus) 		PF02671
(PAH) 		5 PHE B 468
LEU B 509
VAL B 505
PHE B 484
VAL B 471
 None
 1.27A 3u9fJ-2ld7B:
undetectable
3u9fK-2ld7B:
undetectable		 3u9fJ-2ld7B:
19.23
3u9fK-2ld7B:
19.23
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.
2lzj UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 1

(Mus musculus) 		PF16190
(E1_FCCH) 		5 THR A 244
VAL A 221
PHE A 250
VAL A 248
CYH A 234
 None
 1.27A 3u9fJ-2lzjA:
undetectable
3u9fK-2lzjA:
undetectable		 3u9fJ-2lzjA:
16.91
3u9fK-2lzjA:
16.91
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.
2p9n ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 1B

(Bos taurus) 		PF00400
(WD40) 		5 LEU C  93
VAL C 113
PHE C 111
VAL C  91
HIS C 136
 None
 1.30A 3u9fJ-2p9nC:
undetectable
3u9fK-2p9nC:
undetectable		 3u9fJ-2p9nC:
21.68
3u9fK-2p9nC:
21.68
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.
2pkh HISTIDINE
UTILIZATION
REPRESSOR

(Pseudomonas
syringae group
genomosp. 3) 		PF07702
(UTRA) 		5 PHE A 139
SER A 141
LEU A 181
VAL A 184
VAL A 159
 None
 0.98A 3u9fJ-2pkhA:
undetectable
3u9fK-2pkhA:
undetectable		 3u9fJ-2pkhA:
18.26
3u9fK-2pkhA:
18.26
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.
2qvp UNCHARACTERIZED
PROTEIN

(Shewanella
amazonensis) 		PF04952
(AstE_AspA) 		5 SER A 235
SER A 160
LEU A 104
VAL A 107
PHE A  73
 None
 1.40A 3u9fJ-2qvpA:
undetectable
3u9fK-2qvpA:
undetectable		 3u9fJ-2qvpA:
20.70
3u9fK-2qvpA:
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 PHE A1254
LEU A1246
VAL A1216
PHE A1223
VAL A1250
 None
 1.31A 3u9fJ-2vdcA:
undetectable
3u9fK-2vdcA:
undetectable		 3u9fJ-2vdcA:
9.58
3u9fK-2vdcA:
9.58
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.
2vp1 PERIPLASMIC
IRON-BINDING PROTEIN

(Synechocystis
sp. PCC 6803) 		PF13343
(SBP_bac_6) 		5 TYR A 293
PHE A 294
PHE A  84
LEU A  59
VAL A  57
 None
 1.25A 3u9fJ-2vp1A:
undetectable
3u9fK-2vp1A:
undetectable		 3u9fJ-2vp1A:
18.08
3u9fK-2vp1A:
18.08
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.
2wli POTASSIUM CHANNEL

(Magnetospirillum
magnetotacticum) 		PF01007
(IRK) 		5 SER A 205
SER A 209
LEU A 285
VAL A 274
PHE A 290
 None
 1.10A 3u9fJ-2wliA:
undetectable
3u9fK-2wliA:
undetectable		 3u9fJ-2wliA:
20.00
3u9fK-2wliA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 PHE A 338
LEU A 636
VAL A 183
PHE A 349
VAL A 347
 None
 1.41A 3u9fJ-2xr1A:
undetectable
3u9fK-2xr1A:
undetectable		 3u9fJ-2xr1A:
15.11
3u9fK-2xr1A:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yev CYTOCHROME C OXIDASE
SUBUNIT 2

(Thermus
thermophilus) 		PF00034
(Cytochrom_C)
PF00116
(COX2)
PF02790
(COX2_TM) 		5 THR B 273
SER B 274
VAL B 121
PHE B 164
VAL B 212
 None
 1.42A 3u9fJ-2yevB:
undetectable
3u9fK-2yevB:
undetectable		 3u9fJ-2yevB:
20.23
3u9fK-2yevB:
20.23
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.
2yv5 YJEQ PROTEIN

(Aquifex
aeolicus) 		PF03193
(RsgA_GTPase) 		5 SER A 218
PHE A 214
LEU A 146
VAL A 148
VAL A 114
 None
 1.33A 3u9fJ-2yv5A:
undetectable
3u9fK-2yv5A:
undetectable		 3u9fJ-2yv5A:
22.58
3u9fK-2yv5A:
22.58
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		5 SER A 218
LEU A 225
VAL A 228
PHE A 112
VAL A 165
 None
 1.39A 3u9fJ-3a2qA:
undetectable
3u9fK-3a2qA:
undetectable		 3u9fJ-3a2qA:
17.65
3u9fK-3a2qA:
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.
3ct7 D-ALLULOSE-6-PHOSPHA
TE 3-EPIMERASE

(Escherichia
coli) 		PF00834
(Ribul_P_3_epim) 		5 THR A  43
PHE A  48
VAL A 194
PHE A 200
HIS A  30
 None
None
None
None
MG  A 232 (-3.5A)
 1.38A 3u9fJ-3ct7A:
undetectable
3u9fK-3ct7A:
undetectable		 3u9fJ-3ct7A:
20.32
3u9fK-3ct7A:
20.32
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.
3e77 PHOSPHOSERINE
AMINOTRANSFERASE

(Homo sapiens) 		PF00266
(Aminotran_5) 		5 SER A 238
LEU A 255
VAL A 202
PHE A 181
VAL A  60
 None
 1.09A 3u9fJ-3e77A:
undetectable
3u9fK-3e77A:
undetectable		 3u9fJ-3e77A:
18.26
3u9fK-3e77A:
18.26
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.
3hdj PROBABLE ORNITHINE
CYCLODEAMINASE

(Bordetella
pertussis) 		PF02423
(OCD_Mu_crystall) 		5 SER A 118
PHE A 141
PHE A 205
VAL A 264
VAL A 279
 None
None
None
CL  A 311 ( 3.7A)
None
 0.99A 3u9fJ-3hdjA:
undetectable
3u9fK-3hdjA:
undetectable		 3u9fJ-3hdjA:
20.82
3u9fK-3hdjA:
20.82
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.
3mc2 INHIBITOR OF
CARBONIC ANHYDRASE

(Mus musculus) 		PF00405
(Transferrin) 		5 THR A 375
SER A 592
LEU A 604
PHE A 633
VAL A 590
 None
 1.05A 3u9fJ-3mc2A:
undetectable
3u9fK-3mc2A:
undetectable		 3u9fJ-3mc2A:
14.91
3u9fK-3mc2A:
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.
3mhx PUTATIVE FERROUS
IRON TRANSPORT
PROTEIN A

(Stenotrophomonas
maltophilia) 		PF04023
(FeoA) 		5 PHE A  63
LEU A   3
VAL A  73
PHE A  35
VAL A  56
 None
 1.40A 3u9fJ-3mhxA:
undetectable
3u9fK-3mhxA:
undetectable		 3u9fJ-3mhxA:
14.80
3u9fK-3mhxA:
14.80
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.
3n2c PROLIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 PHE A 334
LEU A 378
VAL A 376
PHE A  59
VAL A 389
 None
 1.35A 3u9fJ-3n2cA:
undetectable
3u9fK-3n2cA:
undetectable		 3u9fJ-3n2cA:
19.85
3u9fK-3n2cA:
19.85
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.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		5 TYR A  55
LEU A 348
VAL A 335
PHE A 169
VAL A 352
 ATP  A 763 (-4.5A)
None
None
None
None
 1.15A 3u9fJ-3o8lA:
undetectable
3u9fK-3o8lA:
undetectable		 3u9fJ-3o8lA:
15.81
3u9fK-3o8lA:
15.81
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.
3p1i EPHRIN TYPE-B
RECEPTOR 3

(Homo sapiens) 		PF01404
(Ephrin_lbd) 		5 THR A  45
LEU A 132
VAL A 157
PHE A 181
VAL A 107
 None
 1.42A 3u9fJ-3p1iA:
undetectable
3u9fK-3p1iA:
undetectable		 3u9fJ-3p1iA:
17.94
3u9fK-3p1iA:
17.94
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.
3p91 PROLIFERATING CELL
NUCLEAR ANTIGEN

(Entamoeba
histolytica) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 PHE A  14
LEU A  52
VAL A  39
PHE A  30
VAL A  17
 None
 1.28A 3u9fJ-3p91A:
undetectable
3u9fK-3p91A:
undetectable		 3u9fJ-3p91A:
22.85
3u9fK-3p91A:
22.85
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.
3qc0 SUGAR ISOMERASE

(Sinorhizobium
meliloti) 		PF01261
(AP_endonuc_2) 		5 SER A   7
LEU A  94
VAL A  41
PHE A  19
VAL A  53
 None
 1.33A 3u9fJ-3qc0A:
undetectable
3u9fK-3qc0A:
undetectable		 3u9fJ-3qc0A:
19.86
3u9fK-3qc0A:
19.86
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.
3r2j ALPHA/BETA-HYDROLASE
-LIKE PROTEIN

(Leishmania
infantum) 		PF00857
(Isochorismatase) 		5 THR A 183
LEU A 211
VAL A  21
PHE A  65
VAL A  59
 None
 1.16A 3u9fJ-3r2jA:
undetectable
3u9fK-3r2jA:
undetectable		 3u9fJ-3r2jA:
20.00
3u9fK-3r2jA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rbl AROMATIC L-AMINO
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 SER A 211
SER A 250
VAL A 445
VAL A 402
CYH A 438
 None
 1.04A 3u9fJ-3rblA:
undetectable
3u9fK-3rblA:
undetectable		 3u9fJ-3rblA:
18.50
3u9fK-3rblA:
18.50
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT J
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli;
Escherichia
coli) 		no annotation
no annotation 		5 SER N  84
PHE N 241
SER N  41
VAL J 153
VAL N  21
 None
 1.32A 3u9fJ-3rkoN:
undetectable
3u9fK-3rkoN:
undetectable		 3u9fJ-3rkoN:
20.04
3u9fK-3rkoN:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sgg HYPOTHETICAL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF14323
(GxGYxYP_C)
PF16216
(GxGYxYP_N) 		5 LEU A 534
VAL A 540
PHE A 327
VAL A 530
HIS A 323
 None
 1.35A 3u9fJ-3sggA:
undetectable
3u9fK-3sggA:
undetectable		 3u9fJ-3sggA:
18.24
3u9fK-3sggA:
18.24
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.
3stt METHYLKETONE
SYNTHASE I

(Solanum
habrochaites) 		PF12697
(Abhydrolase_6) 		5 SER A 168
TYR A 165
SER A 241
LEU A 110
HIS A 243
 None
None
None
None
DKA  A 266 (-3.8A)
 1.39A 3u9fJ-3sttA:
undetectable
3u9fK-3sttA:
undetectable		 3u9fJ-3sttA:
21.79
3u9fK-3sttA:
21.79
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.
3tef IRON(III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-COMPOUND-BINDIN
G PROTEIN

(Vibrio cholerae) 		PF01497
(Peripla_BP_2) 		5 PHE A 254
LEU A 265
VAL A 267
PHE A 285
VAL A 290
 None
 1.30A 3u9fJ-3tefA:
undetectable
3u9fK-3tefA:
undetectable		 3u9fJ-3tefA:
21.17
3u9fK-3tefA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ua4 PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Caenorhabditis
elegans) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		5 THR A 525
PHE A 520
LEU A 413
VAL A 449
VAL A 517
 None
 1.16A 3u9fJ-3ua4A:
undetectable
3u9fK-3ua4A:
undetectable		 3u9fJ-3ua4A:
14.77
3u9fK-3ua4A:
14.77
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 PHE A 557
SER A 578
LEU A 617
PHE A 371
VAL A 612
 None
THG  A1652 (-4.2A)
None
None
None
 1.31A 3u9fJ-4cczA:
undetectable
3u9fK-4cczA:
undetectable		 3u9fJ-4cczA:
15.66
3u9fK-4cczA:
15.66
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		5 SER N 262
TYR N 288
LEU N 299
VAL N 298
PHE N 326
 None
 1.33A 3u9fJ-4heaN:
undetectable
3u9fK-4heaN:
undetectable		 3u9fJ-4heaN:
16.36
3u9fK-4heaN:
16.36
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.
4itx CYSTATHIONINE
BETA-LYASE METC

(Escherichia
coli) 		PF01053
(Cys_Met_Meta_PP) 		5 TYR A 327
PHE A 331
VAL A 286
PHE A 311
VAL A 273
 None
 1.29A 3u9fJ-4itxA:
undetectable
3u9fK-4itxA:
undetectable		 3u9fJ-4itxA:
22.00
3u9fK-4itxA:
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.
4j05 PHOSPHATE
TRANSPORTER

(Serendipita
indica) 		PF00083
(Sugar_tr) 		5 PHE A 426
PHE A 485
VAL A 337
PHE A 469
VAL A 481
 None
 1.40A 3u9fJ-4j05A:
undetectable
3u9fK-4j05A:
undetectable		 3u9fJ-4j05A:
15.00
3u9fK-4j05A:
15.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j2h SHORT CHAIN ALCOHOL
DEHYDROGENASE-RELATE
D DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 TYR A 150
LEU A 232
VAL A 142
VAL A 228
HIS A 243
 EDO  A 302 ( 4.2A)
None
None
None
EDO  A 304 ( 3.9A)
 1.13A 3u9fJ-4j2hA:
undetectable
3u9fK-4j2hA:
undetectable		 3u9fJ-4j2hA:
23.36
3u9fK-4j2hA:
23.36
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.
4jm0 PROTEIN UL141

(Human
betaherpesvirus
5) 		PF16758
(UL141) 		5 THR A  50
LEU A 145
VAL A  77
PHE A 127
VAL A  69
 None
 1.42A 3u9fJ-4jm0A:
undetectable
3u9fK-4jm0A:
undetectable		 3u9fJ-4jm0A:
21.35
3u9fK-4jm0A:
21.35
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.
4jus HEAT SHOCK PROTEIN
BETA-6

(Homo sapiens) 		PF00011
(HSP20) 		5 PHE A  83
LEU A 142
VAL A  99
PHE A 117
VAL A  80
 None
 1.31A 3u9fJ-4jusA:
undetectable
3u9fK-4jusA:
undetectable		 3u9fJ-4jusA:
19.55
3u9fK-4jusA:
19.55
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.
4m5t ALPHA-CRYSTALLIN B
CHAIN

(Homo sapiens) 		PF00011
(HSP20) 		5 PHE A  84
LEU A 143
VAL A 100
PHE A 118
VAL A  81
 None
 1.26A 3u9fJ-4m5tA:
undetectable
3u9fK-4m5tA:
undetectable		 3u9fJ-4m5tA:
19.81
3u9fK-4m5tA:
19.81
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.
4mfi SN-GLYCEROL-3-PHOSPH
ATE ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN USPB

(Mycobacterium
tuberculosis) 		PF13416
(SBP_bac_8) 		5 SER A  49
LEU A 309
VAL A  97
PHE A 326
VAL A 330
 None
 1.32A 3u9fJ-4mfiA:
undetectable
3u9fK-4mfiA:
undetectable		 3u9fJ-4mfiA:
18.92
3u9fK-4mfiA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mfi SN-GLYCEROL-3-PHOSPH
ATE ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN USPB

(Mycobacterium
tuberculosis) 		PF13416
(SBP_bac_8) 		5 THR A 343
SER A  49
LEU A 309
VAL A  97
PHE A 326
 None
 1.32A 3u9fJ-4mfiA:
undetectable
3u9fK-4mfiA:
undetectable		 3u9fJ-4mfiA:
18.92
3u9fK-4mfiA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mrm GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 PHE A 274
LEU A 209
VAL A 213
PHE A 184
VAL A 246
 None
 1.21A 3u9fJ-4mrmA:
undetectable
3u9fK-4mrmA:
undetectable		 3u9fJ-4mrmA:
19.66
3u9fK-4mrmA:
19.66
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.
4nbv 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE PUTATIVE
SHORT-CHAIN
DEHYDROGENASES/REDUC
TASES (SDR) FAMILY
PROTEIN

(Cupriavidus
taiwanensis) 		PF13561
(adh_short_C2) 		5 SER A 141
TYR A 154
PHE A 186
LEU A 192
VAL A 195
 None
 1.22A 3u9fJ-4nbvA:
undetectable
3u9fK-4nbvA:
undetectable		 3u9fJ-4nbvA:
21.40
3u9fK-4nbvA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nlb RIBOSOMAL RNA
PROCESSING PROTEIN 6

(Trypanosoma
brucei) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		5 THR A 398
PHE A 323
LEU A 258
VAL A 259
VAL A 298
 None
 1.14A 3u9fJ-4nlbA:
undetectable
3u9fK-4nlbA:
undetectable		 3u9fJ-4nlbA:
21.49
3u9fK-4nlbA:
21.49
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.
4od7 THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Proteus
mirabilis) 		PF01323
(DSBA) 		5 SER A 127
LEU A  81
VAL A 116
PHE A 111
VAL A  77
 None
 1.41A 3u9fJ-4od7A:
undetectable
3u9fK-4od7A:
undetectable		 3u9fJ-4od7A:
24.44
3u9fK-4od7A:
24.44
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.
4opu CONSERVED ARCHAEAL
PROTEIN

(Sulfolobus
acidocaldarius) 		PF01266
(DAO) 		5 THR A 157
SER A 162
LEU A   9
VAL A 148
VAL A  34
 FDA  A 501 (-3.8A)
FDA  A 501 (-2.9A)
None
None
None
 1.25A 3u9fJ-4opuA:
undetectable
3u9fK-4opuA:
undetectable		 3u9fJ-4opuA:
17.65
3u9fK-4opuA:
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.
4ovb PROTEIN OSA

(Shigella
flexneri) 		no annotation 5 PHE A 134
LEU A 165
VAL A 169
PHE A  74
VAL A 121
 None
 1.27A 3u9fJ-4ovbA:
undetectable
3u9fK-4ovbA:
undetectable		 3u9fJ-4ovbA:
21.24
3u9fK-4ovbA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u28 PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sviceus) 		PF00977
(His_biosynth) 		5 THR A 170
SER A 200
LEU A  58
VAL A  22
VAL A  56
 None
PO4  A 301 ( 4.4A)
None
None
None
 1.41A 3u9fJ-4u28A:
undetectable
3u9fK-4u28A:
undetectable		 3u9fJ-4u28A:
19.84
3u9fK-4u28A:
19.84
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.
4w91 AMINOTRANSFERASE

(Brucella suis) 		PF00266
(Aminotran_5) 		5 SER A  80
LEU A 298
VAL A 235
PHE A 230
VAL A  84
 None
None
LLP  A 234 ( 3.1A)
None
None
 1.19A 3u9fJ-4w91A:
undetectable
3u9fK-4w91A:
undetectable		 3u9fJ-4w91A:
18.98
3u9fK-4w91A:
18.98
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.
4x28 ACYL-COA
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		no annotation 5 LEU D  43
VAL D  20
VAL D  85
CYH D  24
HIS D  28
 None
 1.42A 3u9fJ-4x28D:
undetectable
3u9fK-4x28D:
undetectable		 3u9fJ-4x28D:
18.57
3u9fK-4x28D:
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.
4xg0 UNCHARACTERIZED
PROTEIN

(Bordetella
bronchiseptica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 THR A  56
SER A  58
LEU A  85
VAL A 213
VAL A  74
 None
 1.12A 3u9fJ-4xg0A:
undetectable
3u9fK-4xg0A:
undetectable		 3u9fJ-4xg0A:
18.86
3u9fK-4xg0A:
18.86
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.
4xsq VARIABLE LYMPHOCYTE
RECEPTOR-LIKE
PROTEIN BF66946

(Branchiostoma
floridae) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 PHE A  73
LEU A 139
VAL A 116
PHE A 121
VAL A 137
 None
 1.40A 3u9fJ-4xsqA:
undetectable
3u9fK-4xsqA:
undetectable		 3u9fJ-4xsqA:
22.32
3u9fK-4xsqA:
22.32
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.
4yu5 IMMUNE INHIBITOR A,
METALLOPROTEASE

(Bacillus cereus) 		PF05547
(Peptidase_M6) 		5 PHE A 756
SER A 700
LEU A 672
VAL A 795
VAL A 674
 None
 1.33A 3u9fJ-4yu5A:
undetectable
3u9fK-4yu5A:
undetectable		 3u9fJ-4yu5A:
14.31
3u9fK-4yu5A:
14.31
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.
5elg GLUTATHIONE
S-TRANSFERASE DHAR1,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 THR A  91
SER A 148
LEU A 130
VAL A 180
HIS A 133
 None
 1.41A 3u9fJ-5elgA:
undetectable
3u9fK-5elgA:
undetectable		 3u9fJ-5elgA:
23.77
3u9fK-5elgA:
23.77
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.
5eur UNCHARACTERIZED
PROTEIN

(Shigella
flexneri) 		no annotation 5 THR A  43
SER A  42
LEU A   8
VAL A  21
PHE A  31
 None
 1.09A 3u9fJ-5eurA:
undetectable
3u9fK-5eurA:
undetectable		 3u9fJ-5eurA:
19.63
3u9fK-5eurA:
19.63
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.
5hkj COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
A,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
C,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
B

(Homo sapiens) 		PF00386
(C1q) 		5 SER A  58
LEU A  64
VAL A 108
PHE A  24
VAL A  56
 None
 1.00A 3u9fJ-5hkjA:
undetectable
3u9fK-5hkjA:
undetectable		 3u9fJ-5hkjA:
20.76
3u9fK-5hkjA:
20.76
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.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 THR A 197
PHE A  91
LEU A  80
PHE A 168
VAL A  82
 None
 1.34A 3u9fJ-5j6sA:
undetectable
3u9fK-5j6sA:
undetectable		 3u9fJ-5j6sA:
12.73
3u9fK-5j6sA:
12.73
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.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		5 PHE A 266
PHE A 233
LEU A 228
VAL A 224
CYH A 248
 None
 1.41A 3u9fJ-5jseA:
undetectable
3u9fK-5jseA:
undetectable		 3u9fJ-5jseA:
14.23
3u9fK-5jseA:
14.23
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.
5lum HEAT SHOCK PROTEIN
BETA-6

(Homo sapiens) 		PF00011
(HSP20) 		5 PHE A  83
LEU A 142
VAL A  99
PHE A 117
VAL A  80
 None
None
None
SO4  A 201 ( 4.6A)
None
 1.31A 3u9fJ-5lumA:
undetectable
3u9fK-5lumA:
undetectable		 3u9fJ-5lumA:
19.16
3u9fK-5lumA:
19.16
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.
5nnz DYNEIN ASSEMBLY
FACTOR WITH WDR
REPEAT DOMAINS 1

(Homo sapiens) 		no annotation 5 THR B 320
SER B 309
PHE B 311
VAL B 296
CYH B 295
 None
 1.39A 3u9fJ-5nnzB:
undetectable
3u9fK-5nnzB:
undetectable		 3u9fJ-5nnzB:
18.94
3u9fK-5nnzB:
18.94
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.
5npx POLYPROTEIN
POLYPROTEIN

(Broad bean
stain virus;
Broad bean
stain virus) 		no annotation
no annotation 		5 THR L 310
PHE L 354
SER L 238
LEU S 435
VAL S 547
 None
 1.41A 3u9fJ-5npxL:
undetectable
3u9fK-5npxL:
undetectable		 3u9fJ-5npxL:
undetectable
3u9fK-5npxL:
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.
5nuv AUTOPHAGY-RELATED
PROTEIN 16-1

(Homo sapiens) 		PF00400
(WD40) 		5 SER A 331
SER A 586
LEU A 603
PHE A 318
VAL A 593
 None
 1.41A 3u9fJ-5nuvA:
undetectable
3u9fK-5nuvA:
undetectable		 3u9fJ-5nuvA:
19.68
3u9fK-5nuvA:
19.68
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.
5o4m HCGC

(Methanococcus
maripaludis) 		PF06690
(DUF1188) 		5 THR A 113
LEU A 131
VAL A 156
VAL A 109
CYH A 155
 SAH  A 301 ( 4.1A)
None
None
None
None
 1.25A 3u9fJ-5o4mA:
undetectable
3u9fK-5o4mA:
undetectable		 3u9fJ-5o4mA:
22.26
3u9fK-5o4mA:
22.26
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.
5odo ISOMERASE

(Rhodococcus
erythropolis) 		no annotation 5 PHE A 529
LEU A  25
PHE A 295
VAL A 526
HIS A   7
 None
 1.10A 3u9fJ-5odoA:
undetectable
3u9fK-5odoA:
undetectable		 3u9fJ-5odoA:
18.06
3u9fK-5odoA:
18.06
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 5 PHE A 419
VAL A 508
PHE A 514
VAL A 502
HIS A 423
 None
 1.12A 3u9fJ-5ot1A:
undetectable
3u9fK-5ot1A:
undetectable		 3u9fJ-5ot1A:
undetectable
3u9fK-5ot1A:
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.
5t2k PUTATIVE
HEME-DEPENDENT
PEROXIDASE
GT50_08830

(Geobacillus
stearothermophilus) 		PF06778
(Chlor_dismutase) 		5 PHE A  72
LEU A 237
VAL A 242
PHE A  40
VAL A  60
 None
 1.18A 3u9fJ-5t2kA:
undetectable
3u9fK-5t2kA:
undetectable		 3u9fJ-5t2kA:
19.22
3u9fK-5t2kA:
19.22
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.
5tjz 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Mycobacterium
tuberculosis) 		no annotation 5 PHE A 105
LEU A  62
VAL A  87
PHE A  79
VAL A  58
 NAP  A 304 (-4.6A)
None
None
None
None
 1.24A 3u9fJ-5tjzA:
undetectable
3u9fK-5tjzA:
undetectable		 3u9fJ-5tjzA:
undetectable
3u9fK-5tjzA:
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.
5w4t CADHERIN 23

(Danio rerio) 		no annotation 5 PHE C  11
SER C  13
LEU C  15
PHE C  80
VAL C  93
 None
 1.39A 3u9fJ-5w4tC:
undetectable
3u9fK-5w4tC:
undetectable		 3u9fJ-5w4tC:
undetectable
3u9fK-5w4tC:
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.
5x2o TASTE RECEPTOR, TYPE
1, MEMBER 3

(Oryzias latipes) 		PF01094
(ANF_receptor) 		5 SER B 169
PHE B 170
SER B 150
LEU B 276
VAL B 277
 None
None
ARG  B 951 (-2.8A)
ARG  B 951 (-4.5A)
None
 1.25A 3u9fJ-5x2oB:
undetectable
3u9fK-5x2oB:
undetectable		 3u9fJ-5x2oB:
15.21
3u9fK-5x2oB:
15.21
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.
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 PHE A 115
SER A 168
LEU A 151
VAL A 153
CYH A 125
 None
 1.21A 3u9fJ-5x49A:
undetectable
3u9fK-5x49A:
undetectable		 3u9fJ-5x49A:
16.92
3u9fK-5x49A:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xyb -

(-) 		no annotation 5 SER A 358
PHE A 167
SER A 351
LEU A 366
PHE A 276
 None
 1.35A 3u9fJ-5xybA:
undetectable
3u9fK-5xybA:
undetectable		 3u9fJ-5xybA:
undetectable
3u9fK-5xybA:
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.
6coy CHLORIDE CHANNEL
PROTEIN 1

(Homo sapiens) 		no annotation 5 THR A 539
SER A 537
TYR A 578
SER A 541
PHE A 279
 None
 1.32A 3u9fJ-6coyA:
undetectable
3u9fK-6coyA:
undetectable		 3u9fJ-6coyA:
undetectable
3u9fK-6coyA:
undetectable