SIMILAR PATTERNS OF AMINO ACIDS FOR 4QYN_B_RTLB201

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.
1ciy CRYIA(A)

(Bacillus
thuringiensis)
PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N)
5 ILE A 200
GLN A 472
THR A 264
LEU A  47
LEU A 246
None
1.47A 4qynB-1ciyA:
0.0
4qynB-1ciyA:
11.56
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.
1ea6 PMS1 PROTEIN HOMOLOG
2


(Homo sapiens)
PF01119
(DNA_mis_repair)
PF13589
(HATPase_c_3)
5 ILE A  66
THR A 155
LEU A  42
LEU A  83
LEU A 111
None
ADP  A1366 ( 4.0A)
None
ADP  A1366 (-4.9A)
ADP  A1366 (-3.9A)
1.45A 4qynB-1ea6A:
0.0
4qynB-1ea6A:
17.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ggl PROTEIN (CELLULAR
RETINOL-BINDING
PROTEIN III)


(Homo sapiens)
PF00061
(Lipocalin)
5 ILE A  25
LYS A  40
THR A  53
ARG A  58
TRP A 106
None
0.78A 4qynB-1gglA:
23.8
4qynB-1gglA:
50.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ggl PROTEIN (CELLULAR
RETINOL-BINDING
PROTEIN III)


(Homo sapiens)
PF00061
(Lipocalin)
6 ILE A  25
LYS A  40
THR A  53
TRP A 106
LEU A 117
LEU A 119
None
0.46A 4qynB-1gglA:
23.8
4qynB-1gglA:
50.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j9a OLIGORIBONUCLEASE

(Haemophilus
influenzae)
PF00929
(RNase_T)
5 PHE A 130
THR A  33
LEU A  93
LEU A  16
LEU A 119
None
1.38A 4qynB-1j9aA:
0.4
4qynB-1j9aA:
25.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kqx CELLULAR
RETINOL-BINDING
PROTEIN


(Danio rerio)
PF00061
(Lipocalin)
7 ILE A  25
GLN A  38
LYS A  40
THR A  53
LEU A  77
TRP A 106
LEU A 117
None
1.08A 4qynB-1kqxA:
25.3
4qynB-1kqxA:
75.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kqx CELLULAR
RETINOL-BINDING
PROTEIN


(Danio rerio)
PF00061
(Lipocalin)
6 ILE A  25
GLN A  38
THR A  53
ARG A  58
LEU A  77
TRP A 106
None
1.20A 4qynB-1kqxA:
25.3
4qynB-1kqxA:
75.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kqx CELLULAR
RETINOL-BINDING
PROTEIN


(Danio rerio)
PF00061
(Lipocalin)
9 PHE A  16
MET A  20
ILE A  25
GLN A  38
LYS A  40
THR A  51
THR A  53
TRP A 106
LEU A 117
None
0.64A 4qynB-1kqxA:
25.3
4qynB-1kqxA:
75.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kqx CELLULAR
RETINOL-BINDING
PROTEIN


(Danio rerio)
PF00061
(Lipocalin)
8 PHE A  16
MET A  20
ILE A  25
GLN A  38
THR A  51
THR A  53
ARG A  58
TRP A 106
None
0.75A 4qynB-1kqxA:
25.3
4qynB-1kqxA:
75.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lpj RETINOL-BINDING
PROTEIN IV, CELLULAR


(Homo sapiens)
PF00061
(Lipocalin)
8 PHE A  16
ILE A  25
LYS A  40
THR A  53
ARG A  58
LEU A  77
TRP A 106
LEU A 117
None
0.88A 4qynB-1lpjA:
25.2
4qynB-1lpjA:
58.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lpj RETINOL-BINDING
PROTEIN IV, CELLULAR


(Homo sapiens)
PF00061
(Lipocalin)
8 PHE A  16
MET A  20
ILE A  25
LYS A  40
THR A  53
LEU A  77
TRP A 106
LEU A 117
None
0.75A 4qynB-1lpjA:
25.2
4qynB-1lpjA:
58.65
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.
1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB


(Escherichia
coli)
PF08501
(Shikimate_dh_N)
5 MET A 127
ILE A 151
THR A 204
LEU A 241
LEU A 200
None
None
NAI  A 301 (-4.4A)
None
None
1.06A 4qynB-1o9bA:
undetectable
4qynB-1o9bA:
19.31
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.
1ser PROTEIN (SERYL-TRNA
SYNTHETASE
(E.C.6.1.1.11))


(Thermus
thermophilus)
PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N)
5 ILE A 409
THR A 384
LEU A 408
LEU A 165
LEU A 417
None
1.40A 4qynB-1serA:
0.0
4qynB-1serA:
15.26
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.
1tye INTEGRIN BETA-3

(Homo sapiens)
PF00362
(Integrin_beta)
PF17205
(PSI_integrin)
5 PHE B 100
ILE B 416
LEU B 362
LEU B  92
LEU B  90
None
1.33A 4qynB-1tyeB:
undetectable
4qynB-1tyeB:
16.02
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.
1v1p EXOTOXIN 1

(Staphylococcus
aureus)
PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB)
5 ILE A 181
THR A 112
THR A 114
LEU A 145
LEU A 173
None
1.10A 4qynB-1v1pA:
undetectable
4qynB-1v1pA:
22.43
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.
1vbj PROSTAGLANDIN F
SYNTHASE


(Trypanosoma
brucei)
PF00248
(Aldo_ket_red)
5 PHE A  73
THR A 185
LEU A 108
LEU A   7
LEU A   9
None
1.39A 4qynB-1vbjA:
undetectable
4qynB-1vbjA:
20.42
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.
1z3i SIMILAR TO
RAD54-LIKE


(Danio rerio)
PF00176
(SNF2_N)
PF00271
(Helicase_C)
5 ILE X 387
THR X 163
ARG X 166
LEU X 194
LEU X 190
None
1.19A 4qynB-1z3iX:
undetectable
4qynB-1z3iX:
12.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bm7 PENTAPEPTIDE REPEAT
FAMILY PROTEIN


(Mycobacterium
tuberculosis)
PF13599
(Pentapeptide_4)
5 THR A 134
THR A 117
ARG A 100
LEU A 109
LEU A 104
None
1.44A 4qynB-2bm7A:
undetectable
4qynB-2bm7A:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bwj ADENYLATE KINASE 5

(Homo sapiens)
PF00406
(ADK)
5 PHE A 108
THR A  90
LEU A   8
LEU A  40
LEU A  79
None
1.43A 4qynB-2bwjA:
undetectable
4qynB-2bwjA:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c1l RESTRICTION
ENDONUCLEASE


(Bacillus firmus)
PF13091
(PLDc_2)
5 ILE A 301
THR A 287
LEU A 205
TRP A 229
LEU A 230
None
1.30A 4qynB-2c1lA:
undetectable
4qynB-2c1lA:
16.03
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.
2d7d UVRABC SYSTEM
PROTEIN B


(Bacillus
subtilis)
PF00271
(Helicase_C)
PF02151
(UVR)
PF04851
(ResIII)
PF12344
(UvrB)
5 ILE A 511
THR A 462
ARG A 447
LEU A 491
LEU A 504
None
1.21A 4qynB-2d7dA:
undetectable
4qynB-2d7dA:
11.58
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.
2e7k MAGUK P55 SUBFAMILY
MEMBER 2


(Homo sapiens)
PF00595
(PDZ)
5 PHE A  24
ILE A  36
LEU A  48
LEU A  72
LEU A  73
None
1.27A 4qynB-2e7kA:
undetectable
4qynB-2e7kA:
23.19
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.
2ehb CALCINEURIN B-LIKE
PROTEIN 4


(Arabidopsis
thaliana)
PF13202
(EF-hand_5)
PF13499
(EF-hand_7)
5 ILE A  55
THR A 201
LEU A  45
LEU A 195
LEU A  99
None
1.38A 4qynB-2ehbA:
undetectable
4qynB-2ehbA:
19.32
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.
2fpq BOTULINUM NEUROTOXIN
D LIGHT CHAIN


(Clostridium
botulinum)
PF01742
(Peptidase_M27)
5 PHE A  94
THR A 272
LEU A 192
LEU A 106
LEU A 110
None
ZN  A 500 ( 4.8A)
None
None
None
1.30A 4qynB-2fpqA:
undetectable
4qynB-2fpqA:
14.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2igi OLIGORIBONUCLEASE

(Escherichia
coli)
PF00929
(RNase_T)
5 PHE A 126
THR A  29
LEU A  89
LEU A  12
LEU A 115
None
1.45A 4qynB-2igiA:
undetectable
4qynB-2igiA:
21.11
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.
2o55 PUTATIVE
GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE


(Galdieria
sulphuraria)
PF03009
(GDPD)
5 PHE A 101
ILE A  54
LEU A  56
LEU A 111
LEU A 113
None
1.39A 4qynB-2o55A:
undetectable
4qynB-2o55A:
16.60
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.
2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E


(Homo sapiens)
PF00089
(Trypsin)
5 ILE A  47
GLN A  30
THR A 139
LEU A 209
TRP A 207
None
1.45A 4qynB-2oq5A:
undetectable
4qynB-2oq5A:
18.14
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.
2r5x UNCHARACTERIZED
CONSERVED PROTEIN


(Geobacillus
kaustophilus)
PF08868
(YugN)
5 ILE A  71
ARG A  29
LEU A  18
LEU A 107
LEU A   8
None
1.45A 4qynB-2r5xA:
undetectable
4qynB-2r5xA:
23.72
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.
2rc5 FERREDOXIN-NADP
REDUCTASE


(Leptospira
interrogans)
PF00175
(NAD_binding_1)
5 ILE A 193
ARG A 268
LEU A 159
LEU A 220
LEU A 188
None
1.40A 4qynB-2rc5A:
undetectable
4qynB-2rc5A:
16.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rcq RETINOL-BINDING
PROTEIN II, CELLULAR


(Homo sapiens)
PF00061
(Lipocalin)
11 PHE A  16
MET A  20
GLN A  38
LYS A  40
THR A  51
THR A  53
ARG A  58
LEU A  77
TRP A 106
LEU A 117
LEU A 119
None
None
None
None
None
None
SO4  A 152 (-3.1A)
None
None
None
None
0.77A 4qynB-2rcqA:
26.3
4qynB-2rcqA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rcq RETINOL-BINDING
PROTEIN II, CELLULAR


(Homo sapiens)
PF00061
(Lipocalin)
11 PHE A  16
MET A  20
ILE A  25
GLN A  38
LYS A  40
THR A  51
THR A  53
LEU A  77
TRP A 106
LEU A 117
LEU A 119
None
0.51A 4qynB-2rcqA:
26.3
4qynB-2rcqA:
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.
2wfh SLIT HOMOLOG 2
PROTEIN C-PRODUCT


(Homo sapiens)
PF01462
(LRRNT)
PF01463
(LRRCT)
PF13855
(LRR_8)
5 PHE A 845
ILE A 856
THR A 820
LEU A 832
LEU A 824
None
1.24A 4qynB-2wfhA:
undetectable
4qynB-2wfhA:
19.79
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.
2x06 L-SULFOLACTATE
DEHYDROGENASE


(Methanocaldococcus
jannaschii)
PF02615
(Ldh_2)
5 GLN A  51
THR A  42
ARG A 181
LEU A 185
LEU A 324
None
1.40A 4qynB-2x06A:
0.4
4qynB-2x06A:
16.61
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.
2z65 TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B


(Eptatretus
burgeri;
Homo sapiens)
PF11921
(DUF3439)
PF13306
(LRR_5)
PF13855
(LRR_8)
5 PHE A 246
ILE A 218
LEU A 238
LEU A 276
LEU A 272
None
1.18A 4qynB-2z65A:
undetectable
4qynB-2z65A:
17.41
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.
3a3i PENICILLIN-BINDING
PROTEIN 4


(Haemophilus
influenzae)
PF02113
(Peptidase_S13)
5 ILE A 409
THR A  70
THR A 421
LEU A 408
LEU A 465
None
None
AIX  A 501 (-3.4A)
None
None
1.34A 4qynB-3a3iA:
undetectable
4qynB-3a3iA:
12.53
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.
3b2d CD180 ANTIGEN

(Homo sapiens)
PF00560
(LRR_1)
PF13855
(LRR_8)
5 PHE A 441
ILE A 434
LEU A 457
LEU A 471
LEU A 465
None
1.30A 4qynB-3b2dA:
undetectable
4qynB-3b2dA:
13.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1


(Homo sapiens)
PF00071
(Ras)
5 PHE A 216
ILE A 164
THR A 191
LEU A 162
LEU A 223
None
1.31A 4qynB-3c5hA:
undetectable
4qynB-3c5hA:
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.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA


(Homo sapiens)
PF00104
(Hormone_recep)
5 ILE A 249
THR A 292
THR A 288
LEU A 330
LEU A 339
None
None
L41  A 501 (-3.0A)
L41  A 501 (-4.9A)
L41  A 501 (-4.8A)
1.37A 4qynB-3d5fA:
undetectable
4qynB-3d5fA:
20.55
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.
3dip ENOLASE

(unidentified)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ILE A  91
GLN A 344
LEU A 300
LEU A 317
LEU A 292
None
1.43A 4qynB-3dipA:
undetectable
4qynB-3dipA:
14.18
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.
3gdw SIGMA-54 INTERACTION
DOMAIN PROTEIN


(Enterococcus
faecalis)
PF03610
(EIIA-man)
5 ILE A 657
THR A 626
LEU A 654
LEU A 591
LEU A 608
None
1.20A 4qynB-3gdwA:
undetectable
4qynB-3gdwA:
18.67
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.
3h4l DNA MISMATCH REPAIR
PROTEIN PMS1


(Saccharomyces
cerevisiae)
PF01119
(DNA_mis_repair)
PF13589
(HATPase_c_3)
5 ILE A  86
THR A 174
LEU A  62
LEU A 103
LEU A 131
None
ANP  A 397 (-3.7A)
None
ANP  A 397 (-4.7A)
ANP  A 397 (-3.9A)
1.46A 4qynB-3h4lA:
undetectable
4qynB-3h4lA:
17.61
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.
3hzr TRYPTOPHANYL-TRNA
SYNTHETASE


(Entamoeba
histolytica)
PF00579
(tRNA-synt_1b)
5 PHE A 100
ILE A  34
THR A  78
LEU A  65
LEU A 224
None
1.42A 4qynB-3hzrA:
undetectable
4qynB-3hzrA:
16.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ibr BACTERIOPHYTOCHROME

(Pseudomonas
aeruginosa)
PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2)
5 ILE A 481
ARG A 321
LEU A 349
LEU A 492
LEU A 489
None
1.38A 4qynB-3ibrA:
undetectable
4qynB-3ibrA:
12.25
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.
3icq EXPORTIN-T

(Schizosaccharomyces
pombe)
PF08389
(Xpo1)
5 PHE T 836
THR T 776
LEU T 819
LEU T 784
LEU T 839
None
1.46A 4qynB-3icqT:
undetectable
4qynB-3icqT:
8.40
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.
3ihg RDME

(Streptomyces
purpurascens)
PF01494
(FAD_binding_3)
5 PHE A  23
THR A  53
ARG A  58
LEU A  15
LEU A 126
None
None
None
FAD  A 536 (-4.6A)
None
1.05A 4qynB-3ihgA:
undetectable
4qynB-3ihgA:
12.15
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.
3mil ISOAMYL
ACETATE-HYDROLYZING
ESTERASE


(Saccharomyces
cerevisiae)
PF13472
(Lipase_GDSL_2)
5 MET A  44
THR A  77
ARG A 115
LEU A  32
LEU A  36
None
1.46A 4qynB-3milA:
undetectable
4qynB-3milA:
20.18
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.
3ne8 N-ACETYLMURAMOYL-L-A
LANINE AMIDASE


(Bartonella
henselae)
PF01520
(Amidase_3)
5 ILE A 201
THR A 270
ARG A 384
LEU A 378
LEU A 286
None
1.24A 4qynB-3ne8A:
undetectable
4qynB-3ne8A:
18.72
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.
3now UNC-45 PROTEIN,
SD10334P


(Drosophila
melanogaster)
PF11701
(UNC45-central)
5 ILE A 524
ARG A 533
LEU A 523
LEU A 585
LEU A 553
None
0.96A 4qynB-3nowA:
undetectable
4qynB-3nowA:
10.39
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.
3npg UNCHARACTERIZED
DUF364 FAMILY
PROTEIN


(Pyrococcus
horikoshii)
PF04016
(DUF364)
PF13938
(DUF4213)
5 ILE A  88
THR A 212
LEU A 201
LEU A 183
LEU A   5
None
1.47A 4qynB-3npgA:
undetectable
4qynB-3npgA:
20.88
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.
3o6n APL1

(Anopheles
gambiae)
PF00560
(LRR_1)
PF13855
(LRR_8)
5 PHE A 450
ILE A 463
LEU A 440
LEU A 410
LEU A 433
None
1.39A 4qynB-3o6nA:
undetectable
4qynB-3o6nA:
14.87
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.
3oja ANOPHELES
PLASMODIUM-RESPONSIV
E LEUCINE-RICH
REPEAT PROTEIN 1


(Anopheles
gambiae)
PF13855
(LRR_8)
5 PHE B 450
ILE B 463
LEU B 440
LEU B 410
LEU B 433
None
1.38A 4qynB-3ojaB:
undetectable
4qynB-3ojaB:
11.54
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.
3q3h HMW1C-LIKE
GLYCOSYLTRANSFERASE


(Actinobacillus
pleuropneumoniae)
no annotation 5 PHE A  12
MET A  68
ILE A 101
LEU A  98
LEU A  75
None
1.39A 4qynB-3q3hA:
undetectable
4qynB-3q3hA:
12.84
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.
3s4w FANCONI ANEMIA GROUP
D2 PROTEIN HOMOLOG


(Mus musculus)
PF14631
(FancD2)
5 PHE B  73
THR B 102
LEU B 143
LEU B  57
LEU B  50
None
1.43A 4qynB-3s4wB:
undetectable
4qynB-3s4wB:
7.06
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.
3t6q CD180 ANTIGEN

(Mus musculus)
PF13855
(LRR_8)
5 PHE A 224
THR A 232
LEU A 188
LEU A 250
LEU A 242
GOL  A   3 (-4.2A)
None
None
None
None
1.38A 4qynB-3t6qA:
undetectable
4qynB-3t6qA:
11.17
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.
3u37 ACETYL-XYLAN
ESTERASE EST2A


(Butyrivibrio
proteoclasticus)
PF13472
(Lipase_GDSL_2)
5 PHE A 120
ILE A  17
THR A  54
LEU A  84
LEU A 100
None
1.50A 4qynB-3u37A:
undetectable
4qynB-3u37A:
14.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wbg FATTY ACID-BINDING
PROTEIN, HEART


(Homo sapiens)
PF00061
(Lipocalin)
5 PHE A  16
MET A  20
THR A  53
LEU A 115
LEU A 117
2AN  A 201 ( 4.9A)
2AN  A 201 ( 3.9A)
2AN  A 201 ( 4.0A)
None
None
0.81A 4qynB-3wbgA:
20.6
4qynB-3wbgA:
37.18
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.
3zyo LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4B


(Mus musculus)
PF00560
(LRR_1)
PF07679
(I-set)
PF13855
(LRR_8)
5 PHE A 299
ILE A 270
LEU A 291
LEU A 328
LEU A 324
None
1.19A 4qynB-3zyoA:
undetectable
4qynB-3zyoA:
14.00
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.
4cp6 CHOLINE BINDING
PROTEIN PCPA


(Streptococcus
pneumoniae)
PF13306
(LRR_5)
5 PHE A 231
ILE A 265
LEU A 226
LEU A 192
LEU A 217
None
1.35A 4qynB-4cp6A:
undetectable
4qynB-4cp6A:
13.26
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.
4dkn AMPHIOXUS GREEN
FLUORESCENT PROTEIN,
GFPA1


(Branchiostoma
floridae)
PF01353
(GFP)
5 PHE A 102
ILE A   9
LEU A  57
LEU A  98
LEU A 117
None
None
CR2  A  60 ( 4.4A)
None
None
1.32A 4qynB-4dknA:
undetectable
4qynB-4dknA:
20.60
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.
4eys MCCC FAMILY PROTEIN

(Streptococcus
pneumoniae)
PF02016
(Peptidase_S66)
5 MET A  73
ILE A   5
THR A  83
THR A 111
LEU A 118
None
1.17A 4qynB-4eysA:
undetectable
4qynB-4eysA:
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.
4gt6 CELL SURFACE PROTEIN

(Faecalibacterium
prausnitzii)
PF13306
(LRR_5)
5 PHE A 227
ILE A 215
LEU A 193
LEU A 188
LEU A 210
None
None
EDO  A 908 (-4.3A)
None
EDO  A 908 ( 4.8A)
1.33A 4qynB-4gt6A:
undetectable
4qynB-4gt6A:
15.16
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.
4i99 CHROMOSOME PARTITION
PROTEIN SMC
PUTATIVE
UNCHARACTERIZED
PROTEIN


(Pyrococcus
furiosus;
Pyrococcus
furiosus)
PF02463
(SMC_N)
no annotation
5 PHE C 168
ILE C 198
LEU C 188
LEU A1157
LEU A1155
None
1.28A 4qynB-4i99C:
undetectable
4qynB-4i99C:
20.61
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.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE


(Pseudomonas
savastanoi)
PF01593
(Amino_oxidase)
5 ILE A 312
THR A 496
THR A 504
LEU A 347
LEU A 340
None
1.18A 4qynB-4iv9A:
undetectable
4qynB-4iv9A:
11.67
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.
4kng LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5


(Homo sapiens)
PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8)
5 PHE A 370
ILE A 386
LEU A 364
LEU A 333
LEU A 357
None
1.39A 4qynB-4kngA:
undetectable
4qynB-4kngA:
14.53
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.
4kng LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5


(Homo sapiens)
PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8)
5 PHE A 370
ILE A 386
LEU A 364
LEU A 351
LEU A 357
None
1.17A 4qynB-4kngA:
undetectable
4qynB-4kngA:
14.53
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.
4pmh PECTINESTERASE

(Sitophilus
oryzae)
PF01095
(Pectinesterase)
5 ILE A  91
THR A 219
LEU A 164
LEU A 202
LEU A 181
None
1.43A 4qynB-4pmhA:
undetectable
4qynB-4pmhA:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qdh VARIABLE LYMPHOCYTE
RECEPTOR B,
TOLL-LIKE RECEPTOR 9
CHIMERA


(Eptatretus
burgeri;
Mus musculus)
PF01462
(LRRNT)
PF11921
(DUF3439)
PF13306
(LRR_5)
PF13855
(LRR_8)
5 PHE A 300
ILE A 293
LEU A 269
LEU A 283
LEU A 286
None
1.27A 4qynB-4qdhA:
undetectable
4qynB-4qdhA:
13.46
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.
4qik ROQUIN-1

(Homo sapiens)
no annotation 5 MET A 155
ILE A 363
LEU A 360
LEU A 106
LEU A 140
None
1.28A 4qynB-4qikA:
undetectable
4qynB-4qikA:
17.67
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.
4r5c LEUCINE RICH REPEAT
PROTEIN


(synthetic
construct)
PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13516
(LRR_6)
PF13855
(LRR_8)
5 PHE A 200
ILE A 216
LEU A 192
LEU A 161
LEU A 185
None
1.43A 4qynB-4r5cA:
undetectable
4qynB-4r5cA:
14.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 3
ORIGIN RECOGNITION
COMPLEX SUBUNIT 5


(Drosophila
melanogaster;
Drosophila
melanogaster)
PF07034
(ORC3_N)
PF13191
(AAA_16)
PF14630
(ORC5_C)
5 PHE E 104
ILE E 123
THR C 184
LEU E  69
LEU E  96
None
1.36A 4qynB-4xgcE:
undetectable
4qynB-4xgcE:
17.36
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.
4z31 ROQUIN-2

(Homo sapiens)
no annotation 5 MET A 152
ILE A 360
LEU A 357
LEU A 105
LEU A 137
None
1.30A 4qynB-4z31A:
undetectable
4qynB-4z31A:
17.20
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.
4zr8 UROPORPHYRINOGEN
DECARBOXYLASE


(Acinetobacter
baumannii)
PF01208
(URO-D)
5 MET A 227
ILE A 206
THR A 153
LEU A 178
LEU A 182
None
1.26A 4qynB-4zr8A:
undetectable
4qynB-4zr8A:
16.16
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.
5aiz ZINC FINGER MIZ
DOMAIN-CONTAINING
PROTEIN 1


(Homo sapiens)
no annotation 5 PHE A  45
ARG A  85
LEU A  96
LEU A  35
LEU A  53
None
1.49A 4qynB-5aizA:
undetectable
4qynB-5aizA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5amq RNA POLYMERASE L

(California
encephalitis
orthobunyavirus)
PF04196
(Bunya_RdRp)
PF15518
(L_protein_N)
5 PHE A 618
ILE A 730
THR A 637
LEU A1257
LEU A 747
None
1.43A 4qynB-5amqA:
undetectable
4qynB-5amqA:
4.63
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.
5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D


(Clostridium
botulinum)
PF01742
(Peptidase_M27)
PF07952
(Toxin_trans)
5 PHE A  94
THR A 272
LEU A 192
LEU A 106
LEU A 110
None
1.38A 4qynB-5bqnA:
undetectable
4qynB-5bqnA:
8.46
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.
5czd ACYL-CARRIER-PROTEIN

(Streptomyces
halstedii)
PF00550
(PP-binding)
5 ILE B  32
THR B  73
LEU B  29
LEU B  46
LEU B  42
None
1.20A 4qynB-5czdB:
undetectable
4qynB-5czdB:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d7e TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 14


(Saccharomyces
cerevisiae)
PF03366
(YEATS)
5 PHE A  51
ILE A 101
THR A 137
LEU A 127
LEU A  92
None
1.22A 4qynB-5d7eA:
1.3
4qynB-5d7eA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dil NON-STRUCTURAL
PROTEIN 1


(Influenza B
virus)
PF02942
(Flu_B_NS1)
5 ILE A 239
ARG A 246
LEU A 243
LEU A 274
LEU A 265
None
1.32A 4qynB-5dilA:
undetectable
4qynB-5dilA:
26.11
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.
5evi BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE


(Pseudomonas
syringae group
genomosp. 3)
PF00144
(Beta-lactamase)
5 ILE B 238
THR B  67
ARG B 255
LEU B  61
LEU B 230
None
None
None
MLY  B 224 ( 4.9A)
None
1.38A 4qynB-5eviB:
1.0
4qynB-5eviB:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f8z PLASMA KALLIKREIN
LIGHT CHAIN


(Homo sapiens)
PF00089
(Trypsin)
5 ILE A  47
GLN A  30
THR A 139
LEU A 209
TRP A 208
None
1.43A 4qynB-5f8zA:
undetectable
4qynB-5f8zA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gs0 TOLL-LIKE RECEPTOR 3

(Homo sapiens)
PF13516
(LRR_6)
PF13855
(LRR_8)
5 PHE A 401
ILE A 422
LEU A 438
LEU A 409
LEU A 430
None
1.34A 4qynB-5gs0A:
undetectable
4qynB-5gs0A:
10.78
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.
5hdh TOLL-LIKE RECEPTOR 8

(Homo sapiens)
PF13855
(LRR_8)
5 PHE A 332
ILE A 327
LEU A 323
LEU A 292
LEU A 316
None
1.48A 4qynB-5hdhA:
undetectable
4qynB-5hdhA:
9.99
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.
5k8d COAGULATION FACTOR
VIII
COAGULATION FACTOR
VIII,IG GAMMA-1
CHAIN C REGION


(Homo sapiens;
Homo sapiens)
PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3)
PF00754
(F5_F8_type_C)
PF07731
(Cu-oxidase_2)
5 ILE B1852
THR A 667
LEU B1945
LEU B1789
LEU B1855
None
1.41A 4qynB-5k8dB:
undetectable
4qynB-5k8dB:
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.
5l26 NUCLEOSIDE PERMEASE

(Neisseria
wadsworthii)
PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate)
5 ILE A 125
THR A  62
LEU A 124
LEU A 111
LEU A 115
None
6ZL  A 504 (-3.8A)
None
None
None
1.26A 4qynB-5l26A:
undetectable
4qynB-5l26A:
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.
5oqp CONDENSIN COMPLEX
SUBUNIT 3


(Saccharomyces
cerevisiae)
no annotation 5 PHE A 276
ILE A 299
LEU A 298
LEU A 241
LEU A 279
None
1.28A 4qynB-5oqpA:
undetectable
4qynB-5oqpA:
9.62
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.
5tpi PUTATIVE
TRANSCRIPTIONAL
REGULATOR (LYSR
FAMILY)


(Klebsiella
pneumoniae)
PF03466
(LysR_substrate)
5 ILE A 279
ARG A 286
LEU A 282
LEU A 122
LEU A  93
None
1.43A 4qynB-5tpiA:
undetectable
4qynB-5tpiA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vfr PROTEASOME SUBUNIT
ALPHA TYPE-4


(Homo sapiens)
no annotation 5 ILE I 213
LYS I 180
LEU I  44
LEU I 175
LEU I  35
None
1.29A 4qynB-5vfrI:
undetectable
4qynB-5vfrI:
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.
5w81 CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR


(Danio rerio)
PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R)
5 ILE A 615
THR A 469
LEU A 616
LEU A 393
LEU A 447
None
1.35A 4qynB-5w81A:
undetectable
4qynB-5w81A:
6.84
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.
5wgx FLAVIN-DEPENDENT
HALOGENASE


(Malbranchea
aurantiaca)
PF04820
(Trp_halogenase)
5 ILE A  79
GLN A 141
THR A 254
TRP A 514
LEU A  84
FAD  A 701 (-4.0A)
None
CL  A 717 ( 4.1A)
None
None
1.23A 4qynB-5wgxA:
undetectable
4qynB-5wgxA:
12.41
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.
5y3j TOLL-LIKE RECEPTOR 9

(Equus caballus)
no annotation 5 PHE A 517
ILE A 508
LEU A 484
LEU A 498
LEU A 501
None
1.13A 4qynB-5y3jA:
undetectable
4qynB-5y3jA:
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.
5y3j TOLL-LIKE RECEPTOR 9

(Equus caballus)
no annotation 5 PHE A 720
ILE A 713
LEU A 689
LEU A 703
LEU A 706
None
1.19A 4qynB-5y3jA:
undetectable
4qynB-5y3jA:
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.
5zal ENDORIBONUCLEASE
DICER


(Homo sapiens)
no annotation 5 PHE A 894
MET A 842
LEU A 838
LEU A 881
LEU A 879
None
1.00A 4qynB-5zalA:
undetectable
4qynB-5zalA:
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.
5zln TOLL-LIKE RECEPTOR 9

(Mus musculus)
no annotation 5 PHE A 518
ILE A 509
LEU A 485
LEU A 499
LEU A 502
None
1.12A 4qynB-5zlnA:
undetectable
4qynB-5zlnA:
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.
5zln TOLL-LIKE RECEPTOR 9

(Mus musculus)
no annotation 5 PHE A 721
ILE A 714
LEU A 690
LEU A 704
LEU A 707
None
1.22A 4qynB-5zlnA:
undetectable
4qynB-5zlnA:
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.
6eq8 PERIPLASMIC
ALPHA-GALACTOSIDE-BI
NDING PROTEIN


(Agrobacterium
tumefaciens)
no annotation 5 ILE D 113
THR D  88
ARG D 646
LEU D 661
LEU D 285
None
None
None
P4G  D 713 ( 3.6A)
None
1.29A 4qynB-6eq8D:
undetectable
4qynB-6eq8D:
undetectable