SIMILAR PATTERNS OF AMINO ACIDS FOR 3QEL_D_QELD2

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.
1a3q PROTEIN (NUCLEAR
FACTOR KAPPA-B P52)

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		4 TYR A  77
THR A  79
PHE A 133
LEU A  65
 None
 1.31A 3qelC-1a3qA:
undetectable		 3qelC-1a3qA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1em8 DNA POLYMERASE III
CHI SUBUNIT

(Escherichia
coli) 		PF04364
(DNA_pol3_chi) 		4 TYR A   7
THR A 143
PHE A   6
LEU A   9
 None
 1.39A 3qelC-1em8A:
4.3		 3qelC-1em8A:
19.00
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.
1ex0 COAGULATION FACTOR
XIII A CHAIN

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		4 TYR A 181
THR A 180
PHE A 157
ARG A 158
 None
 1.45A 3qelC-1ex0A:
undetectable		 3qelC-1ex0A:
19.06
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.
1fc9 PHOTOSYSTEM II D1
PROTEASE

(Tetradesmus
obliquus) 		PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		4 TYR A 279
THR A 258
PHE A 257
LEU A 308
 None
 1.22A 3qelC-1fc9A:
undetectable		 3qelC-1fc9A:
23.04
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.
1gq1 CYTOCHROME CD1
NITRITE REDUCTASE

(Paracoccus
pantotrophus) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		4 TYR A 355
THR A 371
PHE A 356
LEU A 376
 None
 1.25A 3qelC-1gq1A:
undetectable		 3qelC-1gq1A:
21.06
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.
1gtu GLUTATHIONE
S-TRANSFERASE

(Homo sapiens) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 TYR A  32
THR A  33
ARG A  42
LEU A  46
 None
 1.03A 3qelC-1gtuA:
undetectable		 3qelC-1gtuA:
17.97
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.
1jax CONSERVED
HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus) 		PF03807
(F420_oxidored) 		4 TYR A 109
THR A 108
PHE A 107
LEU A 194
 None
 1.38A 3qelC-1jaxA:
4.0		 3qelC-1jaxA:
19.65
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.
1jli INTERLEUKIN 3

(Homo sapiens) 		PF02059
(IL3) 		4 THR A 112
PHE A 113
ARG A  54
LEU A 118
 None
 1.08A 3qelC-1jliA:
undetectable		 3qelC-1jliA:
15.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k8g TELOMERE-BINDING
PROTEIN ALPHA
SUBUNIT

(Sterkiella nova) 		PF02765
(POT1) 		4 TYR A 293
THR A  62
PHE A  63
LEU A 290
 None
 1.26A 3qelC-1k8gA:
undetectable		 3qelC-1k8gA:
21.89
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.
1n8y PROTOONCOPROTEIN

(Rattus
norvegicus) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		4 TYR C 268
THR C 269
PHE C 270
LEU C 283
 None
 1.19A 3qelC-1n8yC:
undetectable		 3qelC-1n8yC:
20.59
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.
1ph5 TELOMERE-BINDING
PROTEIN ALPHA
SUBUNIT

(Sterkiella nova) 		PF02765
(POT1) 		4 TYR A 293
THR A  62
PHE A  63
LEU A 290
 None
 1.26A 3qelC-1ph5A:
undetectable		 3qelC-1ph5A:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qgd PROTEIN
(TRANSKETOLASE)

(Escherichia
coli) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 THR A 433
PHE A 434
ARG A 358
LEU A 387
 None
None
SO4  A 680 (-3.2A)
None
 1.08A 3qelC-1qgdA:
3.9		 3qelC-1qgdA:
20.67
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.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 THR A 431
PHE A 432
ARG A 353
LEU A 382
 None
 1.11A 3qelC-1r9jA:
3.1		 3qelC-1r9jA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rq1 HYPOTHETICAL 65.0
KDA PROTEIN IN
COX14-COS3
INTERGENIC REGION
PRECURSOR

(Saccharomyces
cerevisiae) 		PF04137
(ERO1) 		4 TYR A 272
THR A 269
PHE A 273
LEU A 406
 None
 1.39A 3qelC-1rq1A:
undetectable		 3qelC-1rq1A:
19.91
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.
1sn2 TRANSTHYRETIN

(Sparus aurata) 		PF00576
(Transthyretin) 		4 TYR A  78
THR A  75
PHE A  73
LEU A  17
 None
 1.49A 3qelC-1sn2A:
undetectable		 3qelC-1sn2A:
18.36
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.
1t46 HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 TYR A 846
THR A 847
PHE A 848
LEU A 793
 None
 1.30A 3qelC-1t46A:
undetectable		 3qelC-1t46A:
22.69
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.
1tkc TRANSKETOLASE

(Saccharomyces
cerevisiae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 THR A 441
PHE A 442
ARG A 359
LEU A 388
 None
 1.12A 3qelC-1tkcA:
undetectable		 3qelC-1tkcA:
21.57
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.
1w3i 2-KETO-3-DEOXY
GLUCONATE ALDOLASE

(Sulfolobus
solfataricus) 		PF00701
(DHDPS) 		4 TYR A 259
THR A  13
PHE A  12
LEU A 257
 None
 1.44A 3qelC-1w3iA:
undetectable		 3qelC-1w3iA:
20.77
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.
1wkp FLOWERING LOCUS T
PROTEIN

(Arabidopsis
thaliana) 		PF01161
(PBP) 		4 TYR A  65
THR A  66
PHE A 125
LEU A 128
 None
 1.22A 3qelC-1wkpA:
undetectable		 3qelC-1wkpA:
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.
1xf1 C5A PEPTIDASE

(Streptococcus
pyogenes) 		PF00082
(Peptidase_S8)
PF02225
(PA)
PF06280
(fn3_5)
PF13585
(CHU_C) 		4 TYR A1010
THR A1009
PHE A1008
LEU A1028
 None
 1.05A 3qelC-1xf1A:
4.6		 3qelC-1xf1A:
16.76
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.
1zfj INOSINE
MONOPHOSPHATE
DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00478
(IMPDH)
PF00571
(CBS) 		4 TYR A  13
THR A  14
PHE A  15
LEU A  19
 None
 1.46A 3qelC-1zfjA:
undetectable		 3qelC-1zfjA:
23.11
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.
1zlp PETAL DEATH PROTEIN

(Dianthus
caryophyllus) 		PF13714
(PEP_mutase) 		4 TYR A 198
THR A 206
PHE A 207
LEU A 135
 None
 1.19A 3qelC-1zlpA:
undetectable		 3qelC-1zlpA:
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.
2ah5 COG0546: PREDICTED
PHOSPHATASES

(Streptococcus
pneumoniae) 		PF13419
(HAD_2) 		4 TYR A  28
THR A  27
PHE A  26
LEU A  33
 None
 0.76A 3qelC-2ah5A:
2.1		 3qelC-2ah5A:
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.
2dkd PHOSPHOACETYLGLUCOSA
MINE MUTASE

(Candida
albicans) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		4 TYR A  24
THR A  23
PHE A  22
LEU A  96
 None
 1.06A 3qelC-2dkdA:
undetectable		 3qelC-2dkdA:
23.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2enp B/K PROTEIN

(Homo sapiens) 		PF00168
(C2) 		4 TYR A  21
THR A  29
PHE A  89
LEU A 124
 None
 1.34A 3qelC-2enpA:
undetectable		 3qelC-2enpA:
15.93
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.
2fgq OUTER MEMBRANE PORIN
PROTEIN 32

(Delftia
acidovorans) 		PF13609
(Porin_4) 		4 TYR X 104
THR X 102
PHE X 115
LEU X 106
 None
MLT  X 700 (-2.9A)
None
None
 1.34A 3qelC-2fgqX:
undetectable		 3qelC-2fgqX:
21.23
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.
2n5e APOLIPOPROTEIN A-I

(Homo sapiens) 		PF01442
(Apolipoprotein) 		4 THR A  56
PHE A  57
ARG A  61
LEU A  64
 None
 1.28A 3qelC-2n5eA:
undetectable		 3qelC-2n5eA:
18.21
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.
2og8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 TYR A 489
THR A 486
PHE A 487
LEU A 494
 None
 1.49A 3qelC-2og8A:
undetectable		 3qelC-2og8A:
20.40
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.
2pgg RNA-DIRECTED RNA
POLYMERASE

(Infectious
bursal disease
virus) 		PF04197
(Birna_RdRp) 		4 TYR A 197
THR A 198
PHE A 199
LEU A 206
 None
 0.89A 3qelC-2pggA:
undetectable		 3qelC-2pggA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qa2 POLYKETIDE OXYGENASE
CABE

(Streptomyces) 		PF01494
(FAD_binding_3) 		4 TYR A  89
THR A  47
PHE A  46
LEU A  44
 None
 1.46A 3qelC-2qa2A:
undetectable		 3qelC-2qa2A:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r8a LONG-CHAIN FATTY
ACID TRANSPORT
PROTEIN

(Escherichia
coli) 		PF03349
(Toluene_X) 		4 TYR A 112
THR A 111
PHE A 158
LEU A 162
 None
 1.05A 3qelC-2r8aA:
undetectable		 3qelC-2r8aA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rmx TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 6

(Homo sapiens) 		PF00017
(SH2) 		4 TYR A  74
THR A  75
PHE A  82
LEU A  45
 None
 1.32A 3qelC-2rmxA:
2.1		 3qelC-2rmxA:
14.55
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.
2uzx HEPATOCYTE GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG) 		4 THR B 273
PHE B 274
ARG B 266
LEU B 269
 None
 1.44A 3qelC-2uzxB:
undetectable		 3qelC-2uzxB:
19.82
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.
2vdv TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF02390
(Methyltransf_4) 		4 TYR E 216
THR E 217
PHE E 180
LEU E 109
 None
 1.25A 3qelC-2vdvE:
2.3		 3qelC-2vdvE:
19.74
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.
2xsz RUVB-LIKE 1

(Homo sapiens) 		PF06068
(TIP49) 		4 TYR A 225
THR A 224
PHE A 223
LEU A 230
 None
 1.02A 3qelC-2xszA:
2.8		 3qelC-2xszA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a6p EXPORTIN-5

(Homo sapiens) 		PF08389
(Xpo1) 		4 TYR A 922
THR A 921
PHE A 920
LEU A 927
 None
 0.80A 3qelC-3a6pA:
undetectable		 3qelC-3a6pA:
15.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3axy PROTEIN HEADING DATE
3A

(Oryza sativa) 		PF01161
(PBP) 		4 TYR A  67
THR A  68
PHE A 127
LEU A 130
 None
 1.23A 3qelC-3axyA:
undetectable		 3qelC-3axyA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bho CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 5

(Homo sapiens) 		PF13869
(NUDIX_2) 		4 TYR A  45
THR A  46
PHE A  47
LEU A 129
 None
 1.23A 3qelC-3bhoA:
undetectable		 3qelC-3bhoA:
19.36
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.
3e73 LANC-LIKE PROTEIN 1

(Homo sapiens) 		PF05147
(LANC_like) 		4 TYR A 158
THR A 105
PHE A 106
LEU A 114
 None
 1.39A 3qelC-3e73A:
undetectable		 3qelC-3e73A:
20.65
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.
3g1n E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		PF00632
(HECT) 		4 TYR A4091
THR A4092
PHE A4132
LEU A4080
 None
 1.38A 3qelC-3g1nA:
undetectable		 3qelC-3g1nA:
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.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		4 TYR A 177
THR A 178
PHE A 180
LEU A 144
 None
 1.45A 3qelC-3gczA:
2.2		 3qelC-3gczA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 TYR B 770
THR B 473
PHE B 474
LEU B 469
 None
 1.17A 3qelC-3h0gB:
undetectable		 3qelC-3h0gB:
16.04
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.
3ha4 MIX1

(Leishmania
major) 		no annotation 4 TYR A 106
THR A 102
ARG A  81
LEU A  77
 None
 1.39A 3qelC-3ha4A:
undetectable		 3qelC-3ha4A:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jap EIF3A
EIF3C

(Saccharomyces
cerevisiae) 		PF00203
(Ribosomal_S19)
PF00411
(Ribosomal_S11) 		4 TYR p 733
THR o 481
PHE p 732
ARG p 731
 None
 1.36A 3qelC-3japp:
undetectable		 3qelC-3japp:
3.18
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.
3kc2 UNCHARACTERIZED
PROTEIN YKR070W

(Saccharomyces
cerevisiae) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 TYR A 242
THR A 243
PHE A 202
LEU A 159
 None
 1.20A 3qelC-3kc2A:
5.7		 3qelC-3kc2A:
22.59
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.
3llc PUTATIVE HYDROLASE

(Agrobacterium
vitis) 		PF12697
(Abhydrolase_6) 		4 TYR A 170
THR A 185
PHE A 184
ARG A  46
 None
 1.45A 3qelC-3llcA:
3.4		 3qelC-3llcA:
22.59
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.
3lnt 2,3-BISPHOSPHOGLYCER
ATE-DEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Burkholderia
pseudomallei) 		PF00300
(His_Phos_1) 		4 TYR A  90
THR A  21
ARG A 130
LEU A 124
 MLI  A 990 (-4.6A)
MLI  A 990 (-3.8A)
None
None
 1.46A 3qelC-3lntA:
3.9		 3qelC-3lntA:
23.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q41 GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
ZETA-1

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 TYR A 109
THR A 110
PHE A 113
ARG A 115
 None
 0.23A 3qelC-3q41A:
50.8		 3qelC-3q41A:
82.77
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.
3qfk UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 TYR A  15
THR A  19
PHE A  17
LEU A  32
 None
 1.36A 3qelC-3qfkA:
undetectable		 3qelC-3qfkA:
21.67
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.
3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE

(Pseudomonas sp.
AC2) 		PF13419
(HAD_2) 		4 TYR A 160
THR A 159
PHE A 158
LEU A 165
 IMD  A 401 (-4.8A)
None
None
None
 0.73A 3qelC-3smvA:
4.4		 3qelC-3smvA:
20.05
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.
3tig TTL PROTEIN

(Xenopus
tropicalis) 		PF03133
(TTL) 		4 TYR A   2
THR A   3
PHE A   4
LEU A  61
 None
 0.74A 3qelC-3tigA:
undetectable		 3qelC-3tigA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uk1 TRANSKETOLASE

(Burkholderia
thailandensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 THR A 458
PHE A 459
ARG A 377
LEU A 406
 None
None
SO4  A 691 (-3.1A)
None
 1.16A 3qelC-3uk1A:
4.0		 3qelC-3uk1A:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 TYR A 191
THR A 190
ARG A 133
LEU A 147
 None
 1.34A 3qelC-3va6A:
undetectable		 3qelC-3va6A:
19.00
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.
3wdg UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF06106
(SAUGI) 		4 TYR B  54
THR B  55
PHE B  69
LEU B   3
 None
 0.98A 3qelC-3wdgB:
undetectable		 3qelC-3wdgB:
13.32
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.
3wib HALOALKANE
DEHALOGENASE

(Agrobacterium
fabrum) 		PF00561
(Abhydrolase_1) 		4 TYR A  81
THR A  82
ARG A 209
LEU A 205
 None
 1.01A 3qelC-3wibA:
2.6		 3qelC-3wibA:
21.22
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.
3wrf NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE

(Bifidobacterium
longum) 		PF07944
(Glyco_hydro_127) 		4 THR A 253
PHE A 255
ARG A 224
LEU A 277
 None
 1.42A 3qelC-3wrfA:
undetectable		 3qelC-3wrfA:
20.21
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.
4ab4 XENOBIOTIC REDUCTASE
B

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		4 TYR A 246
THR A 245
PHE A 244
LEU A 251
 None
 0.88A 3qelC-4ab4A:
2.0		 3qelC-4ab4A:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4brz HALOALKANE
DEHALOGENASE

(Rhodobacteraceae) 		PF00561
(Abhydrolase_1) 		4 TYR A  78
THR A  79
ARG A 208
LEU A 204
 None
 1.04A 3qelC-4brzA:
2.5		 3qelC-4brzA:
23.17
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.
4cta CINA-LIKE PROTEIN

(Thermus
thermophilus) 		PF00994
(MoCF_biosynth)
PF02464
(CinA) 		4 TYR A 335
THR A 263
PHE A 288
LEU A 337
 None
 1.19A 3qelC-4ctaA:
3.8		 3qelC-4ctaA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kf7 NUP188

(Thermothelomyces
thermophila) 		PF10487
(Nup188) 		4 TYR A 602
THR A 639
PHE A 600
ARG A 720
 None
 1.35A 3qelC-4kf7A:
undetectable		 3qelC-4kf7A:
16.88
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.
4l37 SILKWORM STORAGE
PROTEIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 TYR A 658
THR A 597
PHE A 601
LEU A 593
 None
 1.32A 3qelC-4l37A:
undetectable		 3qelC-4l37A:
18.62
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.
4lgg PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Gallus gallus) 		PF07714
(Pkinase_Tyr) 		4 TYR A 511
THR A 508
PHE A 509
LEU A 516
 None
 1.47A 3qelC-4lggA:
undetectable		 3qelC-4lggA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mct ANTIDOTE PROTEIN
KILLER PROTEIN

(Proteus
vulgaris) 		PF01381
(HTH_3)
PF05015
(HigB-like_toxin) 		4 THR A  63
PHE A  66
ARG B  48
LEU A  60
 None
 1.38A 3qelC-4mctA:
undetectable		 3qelC-4mctA:
15.36
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.
4mcx ANTIDOTE PROTEIN
KILLER PROTEIN

(Proteus
vulgaris) 		PF01381
(HTH_3)
PF05015
(HigB-like_toxin) 		4 THR A  63
PHE A  66
ARG B  48
LEU A  60
 None
 1.38A 3qelC-4mcxA:
undetectable		 3qelC-4mcxA:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		4 TYR D 362
THR D 354
PHE D 361
LEU D 393
 None
 1.37A 3qelC-4ngeD:
undetectable		 3qelC-4ngeD:
17.31
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.
4r6h SOLUTE BINDING
PROTEIN MSME

(Bacillus
subtilis) 		PF01547
(SBP_bac_1) 		4 TYR A 209
THR A 208
PHE A 207
LEU A 214
 None
 1.34A 3qelC-4r6hA:
3.1		 3qelC-4r6hA:
22.39
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.
4rph UDP-GALACTOPYRANOSE
MUTASE

(Mycobacterium
tuberculosis) 		no annotation 4 TYR B 185
THR B 186
PHE B 187
LEU B 108
 None
 1.31A 3qelC-4rphB:
2.5		 3qelC-4rphB:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xea PEPTIDASE M16 DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 TYR A  38
THR A  37
ARG A  31
LEU A 376
 None
 1.20A 3qelC-4xeaA:
undetectable		 3qelC-4xeaA:
21.92
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.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		4 TYR A  58
THR A 383
ARG A  52
LEU A  56
 None
 1.37A 3qelC-4xnuA:
undetectable		 3qelC-4xnuA:
22.04
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.
4xzc NUCLEOPROTEIN

(Nairobi sheep
disease
orthonairovirus) 		PF02477
(Nairo_nucleo) 		4 TYR A 144
THR A 145
PHE A 467
LEU A 415
 None
 1.20A 3qelC-4xzcA:
undetectable		 3qelC-4xzcA:
23.54
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.
4xze NUCLEOPROTEIN

(Hazara
orthonairovirus) 		PF02477
(Nairo_nucleo) 		4 TYR A 146
THR A 147
PHE A 469
LEU A 417
 None
 1.36A 3qelC-4xzeA:
undetectable		 3qelC-4xzeA:
24.08
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.
4zcf RESTRICTION
ENDONUCLEASE
ECOP15I,
MODIFICATION SUBUNIT

(Escherichia
coli) 		PF01555
(N6_N4_Mtase) 		4 TYR A 179
THR A 176
PHE A 177
LEU A 207
 None
 0.97A 3qelC-4zcfA:
3.8		 3qelC-4zcfA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 5

(Homo sapiens) 		PF12862
(ANAPC5) 		4 TYR O 700
PHE O 665
ARG O 709
LEU O 658
 None
 1.45A 3qelC-5a31O:
undetectable		 3qelC-5a31O:
18.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b3j NMDA GLUTAMATE
RECEPTOR SUBUNIT

(Xenopus laevis) 		PF01094
(ANF_receptor) 		4 THR A 110
PHE A 113
ARG A 115
LEU A 135
 None
 0.93A 3qelC-5b3jA:
50.8		 3qelC-5b3jA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b3j NMDA GLUTAMATE
RECEPTOR SUBUNIT

(Xenopus laevis) 		PF01094
(ANF_receptor) 		4 TYR A 109
THR A 110
PHE A 113
ARG A 115
 None
 0.39A 3qelC-5b3jA:
50.8		 3qelC-5b3jA:
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.
5clr LEGK4

(Legionella
pneumophila) 		PF00069
(Pkinase) 		4 TYR A 332
THR A 331
PHE A 330
LEU A 337
 None
 0.77A 3qelC-5clrA:
undetectable		 3qelC-5clrA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 TYR A 433
THR A 409
ARG A 355
LEU A 435
 None
 1.29A 3qelC-5clwA:
undetectable		 3qelC-5clwA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eqd UDP-GALACTOPYRANOSE
MUTASE

(Mycolicibacterium
smegmatis) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		4 TYR A 194
THR A 195
PHE A 196
LEU A 117
 None
 1.34A 3qelC-5eqdA:
3.3		 3qelC-5eqdA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gli ENDOTHELIN RECEPTOR
SUBTYPE-B

(Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		4 TYR A 102
THR A  99
PHE A 100
LEU A 162
 None
 1.43A 3qelC-5gliA:
undetectable		 3qelC-5gliA:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzw MALTOSE-BINDING
PERIPLASMIC
PROTEIN,ENDOGLIN

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8) 		4 TYR A 444
THR A 445
ARG A 632
LEU A 719
 None
 1.48A 3qelC-5hzwA:
undetectable		 3qelC-5hzwA:
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.
5ks5 EUKARYOTIC
ELONGATION FACTOR 2
KINASE

(Homo sapiens) 		no annotation 4 TYR A 693
THR A 694
ARG A 688
LEU A 675
 None
 1.34A 3qelC-5ks5A:
undetectable		 3qelC-5ks5A:
14.93
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.
5lp8 E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		no annotation 4 TYR B4091
THR B4092
PHE B4132
LEU B4080
 None
 1.46A 3qelC-5lp8B:
undetectable		 3qelC-5lp8B:
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 TYR A 974
THR A 973
PHE A 976
ARG A 714
 None
 1.49A 3qelC-5m59A:
3.7		 3qelC-5m59A:
12.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5me5 EIF4G
EUKARYOTIC
TRANSCRIPTION
INITIATION FACTOR 4E

(Cucumis melo) 		PF01652
(IF4E)
no annotation 		4 TYR A 154
THR A 155
PHE A 207
LEU B1064
 None
 1.47A 3qelC-5me5A:
undetectable		 3qelC-5me5A:
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.
5nd5 TRANSKETOLASE

(Chlamydomonas
reinhardtii) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 THR A 486
PHE A 487
ARG A 409
LEU A 438
 None
 1.13A 3qelC-5nd5A:
3.3		 3qelC-5nd5A:
21.10
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.
5o4g RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		no annotation 4 TYR C 267
THR C 268
PHE C 269
LEU C 282
 None
 1.24A 3qelC-5o4gC:
undetectable		 3qelC-5o4gC:
13.18
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.
5o5d GLUCANASE

(Trichoderma
atroviride) 		no annotation 4 TYR A 266
THR A 272
PHE A 273
LEU A 268
 CL  A 611 (-4.7A)
None
None
GOL  A 609 (-4.4A)
 1.35A 3qelC-5o5dA:
undetectable		 3qelC-5o5dA:
10.63
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.
5u7x NOD FACTOR BINDING
LECTIN-NUCLEOTIDE
PHOSPHOHYDROLASE

(Vigna
unguiculata) 		PF01150
(GDA1_CD39) 		4 TYR F 359
THR F 358
PHE F 357
LEU F 364
 None
 0.72A 3qelC-5u7xF:
undetectable		 3qelC-5u7xF:
22.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uow N-METHYL-D-ASPARTATE
RECEPTOR SUBUNIT
NR1-8A

(Xenopus laevis) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		4 TYR A 109
THR A 110
PHE A 113
ARG A 115
 None
 0.84A 3qelC-5uowA:
45.9		 3qelC-5uowA:
93.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uow N-METHYL-D-ASPARTATE
RECEPTOR SUBUNIT
NR1-8A

(Xenopus laevis) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		4 TYR A 109
THR A 110
PHE A 113
LEU A 135
 None
 0.94A 3qelC-5uowA:
45.9		 3qelC-5uowA:
93.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vrb TRANSKETOLASE

(Neisseria
gonorrhoeae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 THR A 430
PHE A 431
ARG A 355
LEU A 384
 None
 1.10A 3qelC-5vrbA:
4.1		 3qelC-5vrbA:
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.
5w1m PRE-GLYCOPROTEIN
POLYPROTEIN GP
COMPLEX

(Machupo
mammarenavirus) 		no annotation 4 TYR Q 100
THR Q 107
PHE Q 108
LEU Q  91
 None
 1.37A 3qelC-5w1mQ:
undetectable		 3qelC-5w1mQ:
12.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wgx FLAVIN-DEPENDENT
HALOGENASE

(Malbranchea
aurantiaca) 		PF04820
(Trp_halogenase) 		4 TYR A 593
THR A 594
ARG A 607
LEU A 135
 None
None
SO4  A 712 (-2.8A)
None
 1.41A 3qelC-5wgxA:
2.3		 3qelC-5wgxA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x18 CASEIN KINASE I
HOMOLOG 1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 TYR A 113
THR A 115
PHE A 212
LEU A 109
 None
 1.48A 3qelC-5x18A:
undetectable		 3qelC-5x18A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xag TUBULIN TYROSINE
LIGASE

(Gallus gallus) 		no annotation 4 TYR F   2
THR F   3
PHE F   4
LEU F  61
 None
 0.76A 3qelC-5xagF:
3.0		 3qelC-5xagF:
14.16
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.
5yx9 SHORT TRANSIENT
RECEPTOR POTENTIAL
CHANNEL 6

(Homo sapiens) 		no annotation 4 TYR A 656
THR A 669
PHE A 653
LEU A 678
 None
 0.94A 3qelC-5yx9A:
undetectable		 3qelC-5yx9A:
12.35
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.
6bv2 AMINOPEPTIDASE N

(Sus scrofa) 		no annotation 4 THR A 941
PHE A 906
ARG A 905
LEU A 704
 None
 1.43A 3qelC-6bv2A:
undetectable		 3qelC-6bv2A:
13.15
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.
6cc4 SOLUBLE CYTOCHROME
B562, LIPID II
FLIPPASE MURJ
CHIMERA

(Escherichia
coli) 		no annotation 4 TYR A 137
THR A 134
PHE A 135
LEU A 139
 None
 1.28A 3qelC-6cc4A:
undetectable		 3qelC-6cc4A:
14.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6exv DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Sus scrofa) 		no annotation 4 TYR B 736
THR B 474
PHE B 475
LEU B 470
 None
 1.06A 3qelC-6exvB:
2.1		 3qelC-6exvB:
11.53
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.
6fhs RUVB-LIKE HELICASE

(Chaetomium
thermophilum) 		no annotation 4 TYR A 315
THR A 314
PHE A 313
LEU A 320
 None
 0.66A 3qelC-6fhsA:
undetectable		 3qelC-6fhsA:
11.20
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.
19hc PROTEIN (NINE-HAEM
CYTOCHROME C)

(Desulfovibrio
desulfuricans) 		PF02085
(Cytochrom_CIII) 		5 PRO A  11
ALA A 159
PHE A  35
THR A 138
GLU A 141
 ACT  A 293 (-4.4A)
None
HEM  A 301 ( 3.8A)
None
None
 1.34A 3qelD-19hcA:
undetectable		 3qelD-19hcA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a0p SITE-SPECIFIC
RECOMBINASE XERD

(Escherichia
coli) 		PF00589
(Phage_integrase)
PF02899
(Phage_int_SAM_1) 		5 ALA A   6
GLN A  10
ILE A   8
PHE A  11
THR A 284
 None
 1.29A 3qelD-1a0pA:
undetectable		 3qelD-1a0pA:
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.
1g7u 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Escherichia
coli) 		PF00793
(DAHP_synth_1) 		5 GLN A 113
ILE A 112
THR A 201
PHE A 237
GLU A 239
 None
 1.33A 3qelD-1g7uA:
undetectable		 3qelD-1g7uA:
18.18
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.
1o60 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Haemophilus
influenzae) 		PF00793
(DAHP_synth_1) 		5 GLN A 113
ILE A 112
THR A 201
PHE A 237
GLU A 239
 None
 1.36A 3qelD-1o60A:
1.6		 3qelD-1o60A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wiw GLUCOSE-6-PHOSPHATE
ISOMERASE LIKE
PROTEIN

(Thermus
thermophilus) 		PF10432
(bact-PGI_C) 		5 PRO A 277
ALA A 266
THR A 193
PHE A 167
PRO A 165
 None
 1.29A 3qelD-1wiwA:
0.4		 3qelD-1wiwA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dut HETEROCHROMATIN-ASSO
CIATED PROTEIN MENT

(Gallus gallus) 		PF00079
(Serpin) 		5 ILE A 391
PHE A 390
THR A 208
PRO A 302
GLU A 355
 None
 1.20A 3qelD-2dutA:
undetectable		 3qelD-2dutA:
21.12
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.
2qve TYROSINE AMINOMUTASE

(Streptomyces
globisporus) 		PF00221
(Lyase_aromatic) 		5 ALA A 379
GLN A 382
ILE A 383
THR A 263
GLU A 229
 None
 1.35A 3qelD-2qveA:
undetectable		 3qelD-2qveA:
21.06
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.
2was 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Saccharomyces
cerevisiae) 		PF01648
(ACPS) 		5 ALA B1810
ILE B1776
THR B1792
PHE B1791
GLU B1795
 None
 1.14A 3qelD-2wasB:
undetectable		 3qelD-2wasB:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fg6 ADSEVERIN

(Homo sapiens) 		PF00626
(Gelsolin) 		5 ALA A 674
ILE A 654
PHE A 655
PHE A 626
GLU A 669
 None
 1.48A 3qelD-3fg6A:
undetectable		 3qelD-3fg6A:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		5 PRO A 308
ALA A 322
ILE A 317
THR A  37
PHE A 334
 None
 1.44A 3qelD-3g7uA:
2.3		 3qelD-3g7uA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hz6 XYLULOKINASE

(Chromobacterium
violaceum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 PRO A 105
ALA A 132
GLN A  82
PHE A  84
PHE A 285
 None
None
XUL  A 515 (-3.9A)
None
XUL  A 515 (-3.3A)
 1.26A 3qelD-3hz6A:
undetectable		 3qelD-3hz6A:
21.33
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.
3i3v PROBABLE SECRETED
SOLUTE-BINDING
LIPOPROTEIN

(Streptomyces
coelicolor) 		PF01547
(SBP_bac_1) 		5 ALA A 211
GLN A 215
ILE A 214
PHE A 217
THR A 156
 None
 1.23A 3qelD-3i3vA:
undetectable		 3qelD-3i3vA:
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.
3lnn MEMBRANE FUSION
PROTEIN (MFP) HEAVY
METAL CATION EFFLUX
ZNEB (CZCB-LIKE)

(Cupriavidus
metallidurans) 		PF00529
(HlyD)
PF16576
(HlyD_D23) 		5 ALA A  55
ILE A 177
THR A 211
PHE A 209
GLU A  51
 None
 1.39A 3qelD-3lnnA:
undetectable		 3qelD-3lnnA:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3stg 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Neisseria
meningitidis) 		PF00793
(DAHP_synth_1) 		5 GLN A 109
ILE A 108
THR A 197
PHE A 222
GLU A 224
 CL  A 270 (-3.8A)
None
None
CL  A 270 (-4.8A)
None
 1.45A 3qelD-3stgA:
1.8		 3qelD-3stgA:
22.19
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.
3tqp ENOLASE

(Coxiella
burnetii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A 376
ILE A 375
THR A 176
PHE A 177
GLU A 408
 None
 1.30A 3qelD-3tqpA:
undetectable		 3qelD-3tqpA:
20.44
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.
4bvl PHB DEPOLYMERASE
PHAZ7

(Paucimonas
lemoignei) 		PF01674
(Lipase_2) 		5 ALA A  53
ILE A  54
THR A 116
PHE A 117
PRO A  24
 None
 1.47A 3qelD-4bvlA:
2.8		 3qelD-4bvlA:
18.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pe5 GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		9 PRO B  78
ALA B 107
GLN B 110
ILE B 111
PHE B 114
THR B 174
PHE B 176
PRO B 177
GLU B 236
 None
QEL  B 920 ( 3.9A)
QEL  B 920 (-3.0A)
QEL  B 920 (-4.6A)
QEL  B 920 (-3.6A)
None
None
QEL  B 920 (-4.6A)
QEL  B 920 (-2.9A)
 0.32A 3qelD-4pe5B:
24.5		 3qelD-4pe5B:
99.73
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.
4s2m BETA-LACTAMASE

(Enterobacter
cloacae) 		PF00905
(Transpeptidase) 		5 ALA A 166
GLN A 169
ILE A 170
PHE A 234
THR A 213
 None
 1.45A 3qelD-4s2mA:
undetectable		 3qelD-4s2mA:
21.69
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.
4s2m BETA-LACTAMASE

(Enterobacter
cloacae) 		PF00905
(Transpeptidase) 		5 ALA A 166
GLN A 169
ILE A 170
THR A 213
PRO A  68
 None
 1.44A 3qelD-4s2mA:
undetectable		 3qelD-4s2mA:
21.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tll RECEPTOR SUBUNIT
GLUN2B

(Xenopus laevis) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		9 PRO B  73
ALA B 102
GLN B 105
ILE B 106
PHE B 109
THR B 169
PHE B 171
PRO B 172
GLU B 231
 None
QEM  B 901 ( 4.0A)
QEM  B 901 (-3.3A)
QEM  B 901 (-4.6A)
QEM  B 901 (-4.4A)
QEM  B 901 (-3.8A)
QEM  B 901 (-4.7A)
QEM  B 901 (-4.5A)
QEM  B 901 (-3.1A)
 0.56A 3qelD-4tllB:
28.5		 3qelD-4tllB:
38.85
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.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		5 PRO A 104
ALA A 193
GLN A 197
ILE A 198
PHE A 201
 None
 1.45A 3qelD-4x5sA:
undetectable		 3qelD-4x5sA:
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.
5boe ENOLASE

(Staphylococcus
aureus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A 382
ILE A 381
THR A 176
PHE A 177
GLU A 414
 None
 1.22A 3qelD-5boeA:
undetectable		 3qelD-5boeA:
22.88
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.
5l0o RAS
GTPASE-ACTIVATING-LI
KE PROTEIN IQGAP1

(Homo sapiens) 		PF00307
(CH) 		5 PRO A 146
ILE A 149
THR A 178
PHE A 177
GLU A 181
 None
 1.37A 3qelD-5l0oA:
undetectable		 3qelD-5l0oA:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5no7 LYTIC POLYSACCHARIDE
MONOOXYGENASE

(Trametes
cinnabarina) 		no annotation 5 ALA A  71
GLN A  84
ILE A  83
THR A  62
PHE A 141
 None
SO4  A 328 (-4.9A)
None
None
None
 1.42A 3qelD-5no7A:
undetectable		 3qelD-5no7A:
12.66
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.
5oon UNDECAPRENYL-DIPHOSP
HATASE

(Escherichia
coli) 		no annotation 5 ALA A 228
ILE A 232
PHE A 235
THR A  44
PHE A  48
 None
 1.33A 3qelD-5oonA:
undetectable		 3qelD-5oonA:
13.55
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDF
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobacter
sp. CaT2;
Methanothermobacter
wolfeii) 		PF00037
(Fer4)
PF00384
(Molybdopterin)
PF12838
(Fer4_7) 		5 ALA G  26
ILE G  20
PHE B 166
THR F 321
PRO F 319
 None
None
None
K  F 410 (-4.7A)
SF4  G 102 ( 4.8A)
 1.43A 3qelD-5t5iG:
undetectable		 3qelD-5t5iG:
12.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tpz GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 ALA D 109
GLN D 110
PHE D 114
PHE D 176
PRO D 177
 None
 1.46A 3qelD-5tpzD:
50.4		 3qelD-5tpzD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tpz GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		8 PRO D  78
ALA D 107
GLN D 110
PHE D 114
THR D 174
PHE D 176
PRO D 177
GLU D 236
 None
 0.43A 3qelD-5tpzD:
50.4		 3qelD-5tpzD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5up2 N-METHYL-D-ASPARTATE
RECEPTOR SUBUNIT
NR2A

(Xenopus laevis) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 ALA B 100
ILE B 104
PHE B 107
PRO B 170
GLU B 227
 None
 0.82A 3qelD-5up2B:
36.2		 3qelD-5up2B:
49.03