SIMILAR PATTERNS OF AMINO ACIDS FOR 1KQB_D_BEZD523_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE

(Bacillus sp.
1011) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 PHE A 425
GLY A 502
SER A  13
THR A  14
 None
 1.08A 1kqbC-1dedA:
0.0
1kqbD-1dedA:
0.0		 1kqbC-1dedA:
16.72
1kqbD-1dedA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dml DNA POLYMERASE
PROCESSIVITY FACTOR

(Human
alphaherpesvirus
1) 		PF02282
(Herpes_UL42) 		4 GLU A 203
GLY A 205
SER A 211
THR A 220
 None
 0.97A 1kqbC-1dmlA:
0.0
1kqbD-1dmlA:
0.0		 1kqbC-1dmlA:
21.41
1kqbD-1dmlA:
21.41
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.
1f3j H-2 CLASS II
HISTOCOMPATIBILITY
ANTIGEN

(Mus musculus) 		PF00993
(MHC_II_alpha)
PF07654
(C1-set) 		4 GLU A  55
GLY A  58
THR A  41
PHE A  54
 None
 1.00A 1kqbC-1f3jA:
0.0
1kqbD-1f3jA:
0.0		 1kqbC-1f3jA:
19.17
1kqbD-1f3jA:
19.17
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.
1g33 PARVALBUMIN ALPHA

(Rattus
norvegicus) 		PF13499
(EF-hand_7) 		4 GLU A 100
GLY A  98
SER A 103
PHE A  47
 None
SO4  A 200 (-3.0A)
None
None
 1.17A 1kqbC-1g33A:
undetectable
1kqbD-1g33A:
undetectable		 1kqbC-1g33A:
16.13
1kqbD-1g33A:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gl9 REVERSE GYRASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		4 PHE B 509
GLU B 668
THR B 662
PHE B 658
 None
 1.04A 1kqbC-1gl9B:
0.0
1kqbD-1gl9B:
0.0		 1kqbC-1gl9B:
12.44
1kqbD-1gl9B:
12.44
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.
1gq1 CYTOCHROME CD1
NITRITE REDUCTASE

(Paracoccus
pantotrophus) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		4 GLU A 114
GLY A 101
SER A 112
THR A 111
 None
None
None
GOL  A 611 (-4.6A)
 1.16A 1kqbC-1gq1A:
0.0
1kqbD-1gq1A:
0.0		 1kqbC-1gq1A:
18.07
1kqbD-1gq1A:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 PHE A 383
GLU A 336
SER A 280
THR A 281
 None
 1.01A 1kqbC-1h17A:
0.0
1kqbD-1h17A:
0.0		 1kqbC-1h17A:
14.42
1kqbD-1h17A:
14.42
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.
1i7q ANTHRANILATE
SYNTHASE

(Serratia
marcescens) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		4 GLU A 102
GLY A 100
SER A  69
THR A  62
 None
 1.17A 1kqbC-1i7qA:
0.0
1kqbD-1i7qA:
0.0		 1kqbC-1i7qA:
18.69
1kqbD-1i7qA:
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.
1l1f GLUTAMATE
DEHYDROGENASE 1

(Homo sapiens) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 PHE A 152
GLY A 132
SER A 174
THR A 175
 None
 1.01A 1kqbC-1l1fA:
0.0
1kqbD-1l1fA:
0.0		 1kqbC-1l1fA:
19.52
1kqbD-1l1fA:
19.52
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.
1nar NARBONIN

(Vicia
narbonensis) 		PF00704
(Glyco_hydro_18) 		4 PHE A 242
GLY A 224
THR A 227
PHE A 260
 None
 1.00A 1kqbC-1narA:
0.0
1kqbD-1narA:
0.0		 1kqbC-1narA:
21.53
1kqbD-1narA:
21.53
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.
1pem RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
ALPHA CHAIN

(Salmonella
enterica) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF08343
(RNR_N) 		4 GLU A  69
GLY A  70
THR A 116
PHE A 117
 None
 1.06A 1kqbC-1pemA:
undetectable
1kqbD-1pemA:
undetectable		 1kqbC-1pemA:
15.07
1kqbD-1pemA:
15.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pgu ACTIN INTERACTING
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 PHE A 187
GLY A 236
SER A 171
PHE A 214
 None
 1.10A 1kqbC-1pguA:
undetectable
1kqbD-1pguA:
undetectable		 1kqbC-1pguA:
16.18
1kqbD-1pguA:
16.18
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.
1q1l CHORISMATE SYNTHASE

(Aquifex
aeolicus) 		PF01264
(Chorismate_synt) 		4 GLU A 361
GLY A 360
SER A 162
PHE A 228
 None
 1.05A 1kqbC-1q1lA:
undetectable
1kqbD-1q1lA:
undetectable		 1kqbC-1q1lA:
20.45
1kqbD-1q1lA:
20.45
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.
1qhm PYRUVATE
FORMATE-LYASE

(Escherichia
coli) 		PF02901
(PFL-like) 		4 PHE A1383
GLU A1336
SER A1280
THR A1281
 None
 0.99A 1kqbC-1qhmA:
undetectable
1kqbD-1qhmA:
undetectable		 1kqbC-1qhmA:
15.30
1kqbD-1qhmA:
15.30
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.
1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT

(Pseudomonas
putida;
Pseudomonas
putida) 		PF00676
(E1_dh)
PF12573
(OxoDH_E1alpha_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 GLU B 110
GLY B 109
SER A 171
THR A 179
 None
 1.10A 1kqbC-1qs0B:
undetectable
1kqbD-1qs0B:
undetectable		 1kqbC-1qs0B:
21.41
1kqbD-1qs0B:
21.41
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.
1r53 CHORISMATE SYNTHASE

(Saccharomyces
cerevisiae) 		PF01264
(Chorismate_synt) 		4 GLU A 256
GLY A 258
SER A 307
THR A 220
 None
 0.88A 1kqbC-1r53A:
undetectable
1kqbD-1r53A:
undetectable		 1kqbC-1r53A:
18.85
1kqbD-1r53A:
18.85
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.
1sp3 CYTOCHROME C,
PUTATIVE

(Shewanella
oneidensis) 		PF11783
(Cytochrome_cB)
PF13435
(Cytochrome_C554) 		4 PHE A  88
GLY A  82
SER A  16
THR A  94
 None
 1.17A 1kqbC-1sp3A:
undetectable
1kqbD-1sp3A:
undetectable		 1kqbC-1sp3A:
18.86
1kqbD-1sp3A:
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 GLY A 404
SER A 410
THR A 268
PHE A 408
 ACE  A 633 (-3.1A)
None
None
None
 1.12A 1kqbC-1tqyA:
undetectable
1kqbD-1tqyA:
undetectable		 1kqbC-1tqyA:
19.72
1kqbD-1tqyA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1usv AHA1

(Saccharomyces
cerevisiae) 		PF09229
(Aha1_N) 		4 GLU B  51
GLY B  52
SER B  49
THR B  72
 None
 1.11A 1kqbC-1usvB:
undetectable
1kqbD-1usvB:
undetectable		 1kqbC-1usvB:
19.40
1kqbD-1usvB:
19.40
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.
1v0f ENDO-ALPHA-SIALIDASE

(Enterobacteria
phage K1F) 		PF12217
(End_beta_propel)
PF12218
(End_N_terminal)
PF12219
(End_tail_spike) 		4 PHE A 718
GLU A 721
GLY A 720
SER A 700
 PHE  A 718 ( 1.3A)
GLU  A 721 ( 0.6A)
GLY  A 720 ( 0.0A)
SER  A 700 ( 0.0A)
 1.16A 1kqbC-1v0fA:
undetectable
1kqbD-1v0fA:
undetectable		 1kqbC-1v0fA:
14.61
1kqbD-1v0fA:
14.61
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.
1vl5 UNKNOWN CONSERVED
PROTEIN BH2331

(Bacillus
halodurans) 		PF08241
(Methyltransf_11) 		4 PHE A 199
GLU A 248
GLY A 247
SER A 147
 None
 1.15A 1kqbC-1vl5A:
undetectable
1kqbD-1vl5A:
undetectable		 1kqbC-1vl5A:
21.45
1kqbD-1vl5A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vrg PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Thermotoga
maritima) 		PF01039
(Carboxyl_trans) 		4 PHE A 345
GLY A 311
THR A 319
PHE A 312
 None
 1.16A 1kqbC-1vrgA:
undetectable
1kqbD-1vrgA:
undetectable		 1kqbC-1vrgA:
19.69
1kqbD-1vrgA:
19.69
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.
1zyp ALKYL HYDROPEROXIDE
REDUCTASE SUBUNIT F

(Salmonella
enterica) 		PF13192
(Thioredoxin_3) 		4 GLU A  86
GLY A  84
SER A  89
THR A  88
 None
 1.07A 1kqbC-1zypA:
undetectable
1kqbD-1zypA:
undetectable		 1kqbC-1zypA:
19.37
1kqbD-1zypA:
19.37
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.
2cp3 CLIP-115

(Homo sapiens) 		PF01302
(CAP_GLY) 		4 PHE A  59
GLY A  39
THR A  30
PHE A  68
 None
 1.06A 1kqbC-2cp3A:
undetectable
1kqbD-2cp3A:
undetectable		 1kqbC-2cp3A:
17.84
1kqbD-2cp3A:
17.84
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.
2cp7 RESTIN

(Mus musculus) 		PF01302
(CAP_GLY) 		4 PHE A  59
GLY A  39
THR A  30
PHE A  68
 None
 1.05A 1kqbC-2cp7A:
undetectable
1kqbD-2cp7A:
undetectable		 1kqbC-2cp7A:
16.59
1kqbD-2cp7A:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e3x COAGULATION FACTOR
X-ACTIVATING ENZYME
LIGHT CHAIN 2
COAGULATION FACTOR
X-ACTIVATING ENZYME
LIGHT CHAIN 1

(Daboia
siamensis;
Daboia
siamensis) 		PF00059
(Lectin_C)
PF00059
(Lectin_C) 		4 GLU B  98
GLY B  95
SER C 110
PHE B  99
 None
 1.10A 1kqbC-2e3xB:
undetectable
1kqbD-2e3xB:
undetectable		 1kqbC-2e3xB:
19.27
1kqbD-2e3xB:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f57 SERINE/THREONINE-PRO
TEIN KINASE PAK 7

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLU A 635
GLY A 639
SER A 571
THR A 532
 None
 0.86A 1kqbC-2f57A:
undetectable
1kqbD-2f57A:
undetectable		 1kqbC-2f57A:
22.78
1kqbD-2f57A:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fw2 TESTIS-SPECIFIC
CHROMODOMAIN PROTEIN
Y 2

(Homo sapiens) 		PF00378
(ECH_1) 		4 PHE A  70
GLU A  32
SER A  23
THR A  24
 None
 0.79A 1kqbC-2fw2A:
undetectable
1kqbD-2fw2A:
undetectable		 1kqbC-2fw2A:
20.44
1kqbD-2fw2A:
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.
2gzx PUTATIVE TATD
RELATED DNASE

(Staphylococcus
aureus) 		PF01026
(TatD_DNase) 		4 PHE A 181
GLU A 202
GLY A 177
SER A 154
 None
 1.10A 1kqbC-2gzxA:
undetectable
1kqbD-2gzxA:
undetectable		 1kqbC-2gzxA:
24.19
1kqbD-2gzxA:
24.19
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.
2h63 BILIVERDIN REDUCTASE
A

(Homo sapiens) 		PF01408
(GFO_IDH_MocA)
PF09166
(Biliv-reduc_cat) 		4 GLY A 148
SER A 211
THR A 207
PHE A 180
 None
 1.10A 1kqbC-2h63A:
undetectable
1kqbD-2h63A:
undetectable		 1kqbC-2h63A:
21.45
1kqbD-2h63A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2isa CATALASE

(Aliivibrio
salmonicida) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 PHE A 438
GLY A 468
THR A 176
PHE A 426
 None
 1.16A 1kqbC-2isaA:
undetectable
1kqbD-2isaA:
undetectable		 1kqbC-2isaA:
19.05
1kqbD-2isaA:
19.05
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.
2lba BABP PROTEIN

(Gallus gallus) 		PF14651
(Lipocalin_7) 		4 PHE A   2
GLU A  86
GLY A  88
THR A 100
 None
 1.01A 1kqbC-2lbaA:
undetectable
1kqbD-2lbaA:
undetectable		 1kqbC-2lbaA:
20.63
1kqbD-2lbaA:
20.63
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.
2pb0 ACETYLORNITHINE/SUCC
INYLDIAMINOPIMELATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00202
(Aminotran_3) 		4 GLU A 207
GLY A 211
THR A 205
PHE A 208
 None
None
EDO  A1004 ( 4.4A)
None
 1.16A 1kqbC-2pb0A:
undetectable
1kqbD-2pb0A:
undetectable		 1kqbC-2pb0A:
20.15
1kqbD-2pb0A:
20.15
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.
2pbe AMINOGLYCOSIDE
6-ADENYLYLTRANSFERAS
E

(Bacillus
subtilis) 		PF04439
(Adenyl_transf) 		4 GLU A  75
GLY A  85
SER A  89
THR A 103
 None
 0.92A 1kqbC-2pbeA:
undetectable
1kqbD-2pbeA:
undetectable		 1kqbC-2pbeA:
19.73
1kqbD-2pbeA:
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.
2q7x UPF0052 PROTEIN
SP_1565

(Streptococcus
pneumoniae) 		PF01933
(UPF0052) 		4 PHE A 138
GLY A 229
SER A 193
THR A 196
 None
 0.97A 1kqbC-2q7xA:
undetectable
1kqbD-2q7xA:
undetectable		 1kqbC-2q7xA:
20.99
1kqbD-2q7xA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		4 GLY A 313
SER A  69
THR A  70
PHE A  67
 None
 1.14A 1kqbC-2qt3A:
undetectable
1kqbD-2qt3A:
undetectable		 1kqbC-2qt3A:
20.10
1kqbD-2qt3A:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wk8 CAI-1 AUTOINDUCER
SYNTHASE

(Vibrio cholerae) 		PF00155
(Aminotran_1_2) 		4 PHE A  96
GLY A 208
THR A 279
PHE A 238
 None
 1.03A 1kqbC-2wk8A:
undetectable
1kqbD-2wk8A:
undetectable		 1kqbC-2wk8A:
22.11
1kqbD-2wk8A:
22.11
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.
2yg6 PUTRESCINE OXIDASE

(Rhodococcus
erythropolis) 		PF01593
(Amino_oxidase) 		4 PHE A 204
GLU A 428
GLY A 194
THR A  66
 None
 0.81A 1kqbC-2yg6A:
undetectable
1kqbD-2yg6A:
undetectable		 1kqbC-2yg6A:
19.77
1kqbD-2yg6A:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		4 GLU A 250
GLY A 252
SER A  51
THR A  52
 None
 0.99A 1kqbC-2ynkA:
undetectable
1kqbD-2ynkA:
undetectable		 1kqbC-2ynkA:
18.46
1kqbD-2ynkA:
18.46
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.
3bry TBUX

(Ralstonia
pickettii) 		PF03349
(Toluene_X) 		4 GLU A   7
GLY A   8
SER A 399
THR A 381
 None
 0.90A 1kqbC-3bryA:
undetectable
1kqbD-3bryA:
undetectable		 1kqbC-3bryA:
20.40
1kqbD-3bryA:
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.
3evn OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Streptococcus
agalactiae) 		PF01408
(GFO_IDH_MocA) 		4 PHE A 178
GLU A 168
GLY A 173
THR A 164
 None
 0.96A 1kqbC-3evnA:
undetectable
1kqbD-3evnA:
undetectable		 1kqbC-3evnA:
19.27
1kqbD-3evnA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fv5 DNA TOPOISOMERASE 4
SUBUNIT B

(Escherichia
coli) 		PF02518
(HATPase_c) 		4 PHE A 179
GLU A  38
GLY A  36
PHE A 167
 None
 0.93A 1kqbC-3fv5A:
undetectable
1kqbD-3fv5A:
undetectable		 1kqbC-3fv5A:
20.85
1kqbD-3fv5A:
20.85
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.
3fv5 DNA TOPOISOMERASE 4
SUBUNIT B

(Escherichia
coli) 		PF02518
(HATPase_c) 		4 PHE A 179
GLU A  38
GLY A  36
THR A  27
 None
 1.16A 1kqbC-3fv5A:
undetectable
1kqbD-3fv5A:
undetectable		 1kqbC-3fv5A:
20.85
1kqbD-3fv5A:
20.85
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.
3git CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF03598
(CdhC) 		4 GLU A 329
GLY A 330
SER A 511
PHE A 512
 None
None
None
H2S  A 740 ( 4.6A)
 0.85A 1kqbC-3gitA:
undetectable
1kqbD-3gitA:
undetectable		 1kqbC-3gitA:
19.44
1kqbD-3gitA:
19.44
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.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		4 GLU A 162
GLY A 163
SER A 158
THR A 156
 None
 0.98A 1kqbC-3griA:
undetectable
1kqbD-3griA:
undetectable		 1kqbC-3griA:
19.76
1kqbD-3griA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Schizosaccharomyces
pombe) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 PHE A 821
GLU A 801
SER A 799
PHE A 793
 None
 1.08A 1kqbC-3h0gA:
undetectable
1kqbD-3h0gA:
undetectable		 1kqbC-3h0gA:
9.43
1kqbD-3h0gA:
9.43
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.
3h5l PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Ruegeria
pomeroyi) 		PF13458
(Peripla_BP_6) 		4 PHE A 316
GLU A  61
GLY A 333
SER A 328
 None
 1.08A 1kqbC-3h5lA:
undetectable
1kqbD-3h5lA:
undetectable		 1kqbC-3h5lA:
17.18
1kqbD-3h5lA:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h6z POLYCOMB PROTEIN
SFMBT

(Drosophila
melanogaster) 		PF02820
(MBT) 		4 PHE A 660
GLY A 614
SER A 611
THR A 599
 None
 1.01A 1kqbC-3h6zA:
undetectable
1kqbD-3h6zA:
undetectable		 1kqbC-3h6zA:
18.86
1kqbD-3h6zA:
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.
3hea ARYLESTERASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		4 PHE A  93
GLY A 252
THR A 179
PHE A 162
 EEE  A 300 (-4.5A)
None
GOL  A 274 (-4.1A)
None
 1.09A 1kqbC-3heaA:
undetectable
1kqbD-3heaA:
undetectable		 1kqbC-3heaA:
23.71
1kqbD-3heaA:
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.
3hj4 MINOR
EDITOSOME-ASSOCIATED
TUTASE

(Trypanosoma
brucei) 		no annotation 4 PHE A 183
GLU A 334
SER A 266
PHE A 336
 None
 1.06A 1kqbC-3hj4A:
undetectable
1kqbD-3hj4A:
undetectable		 1kqbC-3hj4A:
19.63
1kqbD-3hj4A:
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		4 PHE X 117
GLU X 114
GLY X 115
THR X 111
 None
None
None
N22  X 219 (-4.4A)
 1.13A 1kqbC-3i8aX:
undetectable
1kqbD-3i8aX:
undetectable		 1kqbC-3i8aX:
22.32
1kqbD-3i8aX:
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.
3kn3 PUTATIVE PERIPLASMIC
PROTEIN

(Wolinella
succinogenes) 		PF12849
(PBP_like_2) 		4 PHE A  83
GLY A 122
SER A  11
THR A  12
 None
GOL  A 262 (-4.1A)
GOL  A 262 ( 4.1A)
None
 0.99A 1kqbC-3kn3A:
undetectable
1kqbD-3kn3A:
undetectable		 1kqbC-3kn3A:
20.25
1kqbD-3kn3A:
20.25
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.
3kzw CYTOSOL
AMINOPEPTIDASE

(Staphylococcus
aureus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 GLU A 132
GLY A 128
THR A 135
PHE A  95
 None
 1.08A 1kqbC-3kzwA:
undetectable
1kqbD-3kzwA:
undetectable		 1kqbC-3kzwA:
17.97
1kqbD-3kzwA:
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.
3m4x NOL1/NOP2/SUN FAMILY
PROTEIN

(Enterococcus
faecium) 		PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		4 PHE A 191
GLY A 187
SER A 205
THR A 202
 None
 1.14A 1kqbC-3m4xA:
undetectable
1kqbD-3m4xA:
undetectable		 1kqbC-3m4xA:
22.44
1kqbD-3m4xA:
22.44
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.
3mtv PAPAIN-LIKE CYSTEINE
PROTEASE

(Porcine
reproductive
and respiratory
syndrome virus) 		PF05411
(Peptidase_C32) 		4 PHE A 150
GLY A 170
THR A  84
PHE A  60
 None
 0.88A 1kqbC-3mtvA:
undetectable
1kqbD-3mtvA:
undetectable		 1kqbC-3mtvA:
21.98
1kqbD-3mtvA:
21.98
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.
3p54 ENVELOPE
GLYCOPROTEIN

(Japanese
encephalitis
virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		4 PHE A 218
GLU A  55
GLY A 127
THR A 226
 None
 0.93A 1kqbC-3p54A:
undetectable
1kqbD-3p54A:
undetectable		 1kqbC-3p54A:
19.20
1kqbD-3p54A:
19.20
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.
3pdu 3-HYDROXYISOBUTYRATE
DEHYDROGENASE FAMILY
PROTEIN

(Geobacter
sulfurreducens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 GLU A 118
GLY A 139
SER A 102
THR A 103
 None
 0.74A 1kqbC-3pduA:
undetectable
1kqbD-3pduA:
undetectable		 1kqbC-3pduA:
23.59
1kqbD-3pduA:
23.59
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.
3r2u METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		4 PHE A 148
GLY A 144
SER A 123
THR A 120
 None
 1.11A 1kqbC-3r2uA:
undetectable
1kqbD-3r2uA:
undetectable		 1kqbC-3r2uA:
19.13
1kqbD-3r2uA:
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.
3rg1 CD180 MOLECULE

(Bos taurus) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		4 PHE A  81
GLU A  40
SER A  61
THR A  85
 None
 1.07A 1kqbC-3rg1A:
undetectable
1kqbD-3rg1A:
undetectable		 1kqbC-3rg1A:
14.85
1kqbD-3rg1A:
14.85
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.
3sc6 DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Bacillus
anthracis) 		PF04321
(RmlD_sub_bind) 		4 GLU A 135
GLY A 134
SER A 102
THR A 103
 None
None
None
NAP  A 285 (-4.0A)
 1.15A 1kqbC-3sc6A:
undetectable
1kqbD-3sc6A:
undetectable		 1kqbC-3sc6A:
25.34
1kqbD-3sc6A:
25.34
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.
3shp PUTATIVE
ACETYLTRANSFERASE
STHE_0691

(Sphaerobacter
thermophilus) 		no annotation 4 GLU A  76
GLY A  78
SER A  83
THR A 120
 None
 0.94A 1kqbC-3shpA:
undetectable
1kqbD-3shpA:
undetectable		 1kqbC-3shpA:
21.43
1kqbD-3shpA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ty1 HYPOTHETICAL ALDOSE
1-EPIMERASE

(Klebsiella
pneumoniae) 		PF14486
(DUF4432) 		4 GLU A 346
GLY A 141
SER A 338
THR A 337
 None
 1.12A 1kqbC-3ty1A:
undetectable
1kqbD-3ty1A:
undetectable		 1kqbC-3ty1A:
19.18
1kqbD-3ty1A:
19.18
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.
3u5t 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		4 GLU A 160
GLY A 158
SER A 138
THR A 139
 None
 1.17A 1kqbC-3u5tA:
undetectable
1kqbD-3u5tA:
undetectable		 1kqbC-3u5tA:
23.78
1kqbD-3u5tA:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vps NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Streptomyces
chartreusis) 		PF01370
(Epimerase) 		4 GLU A 151
GLY A 149
SER A 118
THR A 119
 None
None
None
UD1  A 400 (-3.0A)
 1.15A 1kqbC-3vpsA:
undetectable
1kqbD-3vpsA:
undetectable		 1kqbC-3vpsA:
22.50
1kqbD-3vpsA:
22.50
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.
3zxl HIAXHD3

(Humicola
insolens) 		PF04616
(Glyco_hydro_43) 		4 GLU A  39
GLY A 402
SER A 342
THR A 343
 None
 1.15A 1kqbC-3zxlA:
undetectable
1kqbD-3zxlA:
undetectable		 1kqbC-3zxlA:
16.51
1kqbD-3zxlA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 GLY A 245
SER A 634
THR A 635
PHE A  88
 None
 1.16A 1kqbC-4a01A:
undetectable
1kqbD-4a01A:
undetectable		 1kqbC-4a01A:
15.02
1kqbD-4a01A:
15.02
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.
4bxo FANCONI ANEMIA GROUP
M PROTEIN

(Homo sapiens) 		PF02732
(ERCC4) 		4 GLU A1826
GLY A1823
SER A1829
THR A1828
 CA  A2050 ( 4.8A)
None
None
None
 1.06A 1kqbC-4bxoA:
undetectable
1kqbD-4bxoA:
undetectable		 1kqbC-4bxoA:
19.39
1kqbD-4bxoA:
19.39
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.
4di5 5-EPI-ARISTOLOCHENE
SYNTHASE

(Nicotiana
tabacum) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 PHE A 480
GLU A 463
GLY A 461
THR A 473
 None
 1.09A 1kqbC-4di5A:
undetectable
1kqbD-4di5A:
undetectable		 1kqbC-4di5A:
17.97
1kqbD-4di5A:
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.
4fie SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00786
(PBD) 		4 GLU A 507
GLY A 511
SER A 443
THR A 404
 None
 0.96A 1kqbC-4fieA:
undetectable
1kqbD-4fieA:
undetectable		 1kqbC-4fieA:
20.09
1kqbD-4fieA:
20.09
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.
4hiz ENDOSIALIDASE

(Enterobacteria
phage phi92) 		PF12217
(End_beta_propel)
PF12218
(End_N_terminal)
PF12219
(End_tail_spike) 		4 PHE A 561
GLU A 564
GLY A 563
SER A 543
 None
 1.12A 1kqbC-4hizA:
undetectable
1kqbD-4hizA:
undetectable		 1kqbC-4hizA:
14.59
1kqbD-4hizA:
14.59
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.
4isb LONG CHAIN FATTY
ACID COA LIGASE
FADD10

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLU A  78
GLY A  76
SER A  40
THR A  39
 None
 0.77A 1kqbC-4isbA:
undetectable
1kqbD-4isbA:
undetectable		 1kqbC-4isbA:
17.03
1kqbD-4isbA:
17.03
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.
4kqk NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Salmonella
enterica) 		PF02277
(DBI_PRT) 		4 PHE A 265
GLU A 197
SER A 193
THR A 191
 None
 1.15A 1kqbC-4kqkA:
undetectable
1kqbD-4kqkA:
undetectable		 1kqbC-4kqkA:
23.60
1kqbD-4kqkA:
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.
4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLU A 593
GLY A 597
SER A 529
THR A 490
 None
 0.89A 1kqbC-4ks8A:
undetectable
1kqbD-4ks8A:
undetectable		 1kqbC-4ks8A:
24.25
1kqbD-4ks8A:
24.25
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.
4my5 PUTATIVE AMINO ACID
AMINOTRANSFERASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		4 PHE A 324
GLU A 361
GLY A 360
SER A 335
 None
 0.98A 1kqbC-4my5A:
undetectable
1kqbD-4my5A:
undetectable		 1kqbC-4my5A:
22.44
1kqbD-4my5A:
22.44
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.
4mzq BETA-ALANYL-COA:AMMO
NIA LYASE

(Anaerotignum
propionicum) 		no annotation 4 PHE A  87
GLY A  34
SER A  49
PHE A  51
 None
 1.06A 1kqbC-4mzqA:
undetectable
1kqbD-4mzqA:
undetectable		 1kqbC-4mzqA:
21.26
1kqbD-4mzqA:
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.
4p7h MYOSIN-7,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Homo sapiens) 		PF00063
(Myosin_head)
PF01353
(GFP)
PF02736
(Myosin_N) 		4 GLU A  55
GLY A  56
SER A  53
THR A  60
 None
 1.08A 1kqbC-4p7hA:
undetectable
1kqbD-4p7hA:
undetectable		 1kqbC-4p7hA:
12.88
1kqbD-4p7hA:
12.88
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.
4qaw XYN30D

(Paenibacillus
barcinonensis) 		PF03422
(CBM_6)
PF17189
(Glyco_hydro_30C) 		4 GLU A 534
GLY A 533
SER A 530
THR A 454
 None
 1.05A 1kqbC-4qawA:
undetectable
1kqbD-4qawA:
undetectable		 1kqbC-4qawA:
17.40
1kqbD-4qawA:
17.40
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.
4r1d UNCHARACTERIZED
PROTEIN
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa;
Pseudomonas
aeruginosa) 		no annotation
no annotation 		4 GLU A 104
GLY B  64
SER B 215
THR B 216
 None
 1.16A 1kqbC-4r1dA:
undetectable
1kqbD-4r1dA:
undetectable		 1kqbC-4r1dA:
16.87
1kqbD-4r1dA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ruh CYTOSOLIC
NON-SPECIFIC
DIPEPTIDASE

(Homo sapiens) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 PHE A 216
GLU A 355
GLY A 354
SER A 359
 None
 1.16A 1kqbC-4ruhA:
undetectable
1kqbD-4ruhA:
undetectable		 1kqbC-4ruhA:
17.93
1kqbD-4ruhA:
17.93
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.
4uw2 CSM1

(Thermococcus
onnurineus) 		PF01966
(HD) 		4 GLU A 445
GLY A 446
THR A 435
PHE A 451
 None
 1.06A 1kqbC-4uw2A:
undetectable
1kqbD-4uw2A:
undetectable		 1kqbC-4uw2A:
14.02
1kqbD-4uw2A:
14.02
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.
4xbr PROTEIN
FAM212A,SERINE/THREO
NINE-PROTEIN KINASE
PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF15342
(FAM212) 		4 GLU A 507
GLY A 511
SER A 443
THR A 404
 None
 0.89A 1kqbC-4xbrA:
undetectable
1kqbD-4xbrA:
undetectable		 1kqbC-4xbrA:
20.54
1kqbD-4xbrA:
20.54
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.
4xvg ALKYL HYDROPEROXIDE
REDUCTASE SUBUNIT F

(Escherichia
coli) 		PF07992
(Pyr_redox_2)
PF13192
(Thioredoxin_3) 		4 GLU A  86
GLY A  84
SER A  89
THR A  88
 None
 1.06A 1kqbC-4xvgA:
undetectable
1kqbD-4xvgA:
undetectable		 1kqbC-4xvgA:
18.79
1kqbD-4xvgA:
18.79
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.
4yhw U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP3

(Saccharomyces
cerevisiae) 		PF06544
(DUF1115) 		4 PHE A 441
GLY A 367
SER A 460
PHE A 458
 U  E  87 ( 3.3A)
None
None
None
 1.15A 1kqbC-4yhwA:
undetectable
1kqbD-4yhwA:
undetectable		 1kqbC-4yhwA:
18.47
1kqbD-4yhwA:
18.47
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.
5aoc ESTERASE

(Thermogutta
terrifontis) 		PF07859
(Abhydrolase_3) 		4 PHE A  63
GLY A 125
THR A 264
PHE A 251
 None
 1.14A 1kqbC-5aocA:
undetectable
1kqbD-5aocA:
undetectable		 1kqbC-5aocA:
21.53
1kqbD-5aocA:
21.53
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		4 GLU A 375
GLY A 374
SER A 409
THR A 412
 None
 1.01A 1kqbC-5az4A:
undetectable
1kqbD-5az4A:
undetectable		 1kqbC-5az4A:
13.70
1kqbD-5az4A:
13.70
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.
5e5b FACT COMPLEX SUBUNIT
SPT16

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		4 PHE A 257
GLY A 404
THR A 272
PHE A 402
 None
 1.05A 1kqbC-5e5bA:
undetectable
1kqbD-5e5bA:
undetectable		 1kqbC-5e5bA:
20.27
1kqbD-5e5bA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e6s INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 GLU A 241
GLY A 240
SER A 270
THR A 267
 None
MG  A2001 ( 4.4A)
None
None
 1.16A 1kqbC-5e6sA:
undetectable
1kqbD-5e6sA:
undetectable		 1kqbC-5e6sA:
14.63
1kqbD-5e6sA:
14.63
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.
5ee4 HPUA

(Kingella
denitrificans) 		PF16960
(HpuA) 		4 PHE A 265
GLY A 263
THR A 287
PHE A  42
 None
 1.06A 1kqbC-5ee4A:
undetectable
1kqbD-5ee4A:
undetectable		 1kqbC-5ee4A:
22.58
1kqbD-5ee4A:
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 GLU B 649
GLY B 651
SER B 590
THR B 565
 None
 0.96A 1kqbC-5fq6B:
undetectable
1kqbD-5fq6B:
undetectable		 1kqbC-5fq6B:
12.70
1kqbD-5fq6B:
12.70
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.
5i5h INNER MEMBRANE
PROTEIN YEJM

(Escherichia
coli) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		4 PHE A 462
GLU A 458
GLY A 560
SER A 456
 None
 0.95A 1kqbC-5i5hA:
undetectable
1kqbD-5i5hA:
undetectable		 1kqbC-5i5hA:
14.29
1kqbD-5i5hA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLU A 456
GLY A 460
SER A 392
THR A 353
 None
 0.99A 1kqbC-5kbrA:
undetectable
1kqbD-5kbrA:
undetectable		 1kqbC-5kbrA:
23.21
1kqbD-5kbrA:
23.21
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.
5ldt MOMP PORIN

(Campylobacter
jejuni) 		PF05538
(Campylo_MOMP) 		4 PHE A  29
GLU A 358
SER A 378
THR A 396
 None
 0.90A 1kqbC-5ldtA:
undetectable
1kqbD-5ldtA:
undetectable		 1kqbC-5ldtA:
20.90
1kqbD-5ldtA:
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 PHE A2171
GLU A2134
GLY A2133
SER A2136
 None
 1.06A 1kqbC-5m59A:
undetectable
1kqbD-5m59A:
undetectable		 1kqbC-5m59A:
8.77
1kqbD-5m59A:
8.77
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.
5vef SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		no annotation 4 GLU A 507
GLY A 511
SER A 443
THR A 404
 ACT  A 602 (-3.9A)
None
ACT  A 602 (-3.4A)
ACT  A 602 (-3.3A)
 0.89A 1kqbC-5vefA:
undetectable
1kqbD-5vefA:
undetectable		 1kqbC-5vefA:
21.34
1kqbD-5vefA:
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.
5z2g L-AMINO ACID OXIDASE

(Naja atra) 		no annotation 4 GLY A 384
SER A 381
THR A 380
PHE A 379
 None
 1.09A 1kqbC-5z2gA:
undetectable
1kqbD-5z2gA:
undetectable		 1kqbC-5z2gA:
undetectable
1kqbD-5z2gA:
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.
5zb3 -

(-) 		no annotation 4 PHE A 326
GLU A 340
GLY A 373
PHE A 335
 None
 1.12A 1kqbC-5zb3A:
undetectable
1kqbD-5zb3A:
undetectable		 1kqbC-5zb3A:
undetectable
1kqbD-5zb3A:
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.
6c4g ASPARTIC PROTEASE
PM5

(Plasmodium
vivax) 		no annotation 4 GLU A  72
GLY A  69
SER A 155
THR A 165
 None
 1.08A 1kqbC-6c4gA:
undetectable
1kqbD-6c4gA:
undetectable		 1kqbC-6c4gA:
undetectable
1kqbD-6c4gA:
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.
6cpl HLA CLASS II
HISTOCOMPATIBILITY
ANTIGEN, DR ALPHA
CHAIN

(Homo sapiens) 		no annotation 4 GLU A  55
GLY A  58
THR A  41
PHE A  54
 None
None
SO4  A 304 ( 4.1A)
NA  C 401 ( 3.4A)
 0.93A 1kqbC-6cplA:
undetectable
1kqbD-6cplA:
undetectable		 1kqbC-6cplA:
undetectable
1kqbD-6cplA:
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.
6cpl HLA CLASS II
HISTOCOMPATIBILITY
ANTIGEN, DR ALPHA
CHAIN

(Homo sapiens) 		no annotation 4 PHE A  22
GLU A  55
GLY A  58
PHE A  54
 None
None
None
NA  C 401 ( 3.4A)
 1.15A 1kqbC-6cplA:
undetectable
1kqbD-6cplA:
undetectable		 1kqbC-6cplA:
undetectable
1kqbD-6cplA:
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.
6d6v TELOMERASE REVERSE
TRANSCRIPTASE

(Tetrahymena
thermophila) 		no annotation 4 PHE A 318
GLU A 238
GLY A 240
PHE A 323
 None
A  B  16 ( 3.6A)
None
None
 1.16A 1kqbC-6d6vA:
2.2
1kqbD-6d6vA:
undetectable		 1kqbC-6d6vA:
undetectable
1kqbD-6d6vA:
undetectable