SIMILAR PATTERNS OF AMINO ACIDS FOR 3QEO_A_LLTA261_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		5 GLU A  53
ARG A 128
PHE A 137
LEU A 141
GLU A 197
 DCZ  A 302 (-3.0A)
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.8A)
None
DCZ  A 302 (-3.5A)
 0.97A 3qeoA-2a30A:
33.3		 3qeoA-2a30A:
92.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		5 GLU A  53
GLN A  97
ARG A 128
PHE A 137
LEU A 141
 DCZ  A 302 (-3.0A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.8A)
None
 0.97A 3qeoA-2a30A:
33.3		 3qeoA-2a30A:
92.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		5 GLU A  53
LEU A  82
ARG A 128
LEU A 141
GLU A 197
 DCZ  A 302 (-3.0A)
DCZ  A 302 ( 4.9A)
DCZ  A 302 (-4.1A)
None
DCZ  A 302 (-3.5A)
 1.01A 3qeoA-2a30A:
33.3		 3qeoA-2a30A:
92.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		5 GLU A  53
LEU A  82
GLN A  97
ARG A 128
LEU A 141
 DCZ  A 302 (-3.0A)
DCZ  A 302 ( 4.9A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-4.1A)
None
 1.00A 3qeoA-2a30A:
33.3		 3qeoA-2a30A:
92.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		5 GLU A  53
LEU A  82
MET A  85
ARG A 128
LEU A 141
 DCZ  A 302 (-3.0A)
DCZ  A 302 ( 4.9A)
DCZ  A 302 ( 4.3A)
DCZ  A 302 (-4.1A)
None
 0.93A 3qeoA-2a30A:
33.3		 3qeoA-2a30A:
92.02
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.
2b4e CORONIN-1A

(Mus musculus) 		PF00400
(WD40)
PF08953
(DUF1899)
PF16300
(WD40_4) 		5 VAL A  70
LEU A  62
MET A  47
ARG A  29
LEU A 340
 None
 1.31A 3qeoA-2b4eA:
0.0		 3qeoA-2b4eA:
21.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		5 GLN A 111
ARG A 142
PHE A 151
LEU A 155
GLU A 211
 DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
None
DTP  A 301 (-3.5A)
 0.85A 3qeoA-2ocpA:
30.0		 3qeoA-2ocpA:
43.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		5 LEU A  96
GLN A 111
ARG A 142
LEU A 155
GLU A 211
 DTP  A 301 (-4.6A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
None
DTP  A 301 (-3.5A)
 0.78A 3qeoA-2ocpA:
30.0		 3qeoA-2ocpA:
43.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		5 LEU A  96
MET A  99
GLN A 111
ARG A 142
LEU A 155
 DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
None
 0.93A 3qeoA-2ocpA:
30.0		 3qeoA-2ocpA:
43.71
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.
2pia PHTHALATE
DIOXYGENASE
REDUCTASE

(Burkholderia
cepacia) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 GLU A 136
ARG A 139
PHE A 114
LEU A 116
GLU A  40
 None
 0.91A 3qeoA-2piaA:
0.0		 3qeoA-2piaA:
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.
4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP

(Homo sapiens) 		PF00061
(Lipocalin) 		5 GLU A  73
LEU A  24
MET A  21
TYR A  20
GLN A  59
 None
None
EDO  A1134 (-4.5A)
None
EDO  A1134 ( 3.9A)
 1.18A 3qeoA-4a60A:
0.0		 3qeoA-4a60A:
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.
4bop OTU
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF02338
(OTU) 		5 VAL A 329
LEU A 388
MET A 384
LEU A 321
GLU A 338
 None
 1.29A 3qeoA-4bopA:
0.0		 3qeoA-4bopA:
18.39
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.
4j7h EVAA 2,3-DEHYDRATASE

(Amycolatopsis
orientalis) 		PF03559
(Hexose_dehydrat) 		5 VAL A 348
LEU A 362
GLN A 438
PHE A 257
GLU A 269
 None
 1.02A 3qeoA-4j7hA:
0.0		 3qeoA-4j7hA:
20.43
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.
4nmy ABC-TYPE TRANSPORT
SYSTEM,
EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Clostridioides
difficile) 		PF09084
(NMT1) 		5 VAL A 180
LEU A 187
TYR A 274
PHE A 123
GLU A  64
 None
None
None
None
VIB  A 401 (-2.9A)
 1.37A 3qeoA-4nmyA:
0.0		 3qeoA-4nmyA:
21.54
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.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 GLU B 218
ARG B 481
PHE B 482
LEU B 504
GLU B 212
 None
 1.23A 3qeoA-4ouaB:
undetectable		 3qeoA-4ouaB:
19.93
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.
4qpm MITOTIC CHECKPOINT
SERINE/THREONINE-PRO
TEIN KINASE BUB1

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A1057
LEU A1054
GLN A 891
LEU A 999
GLU A1030
 None
 1.11A 3qeoA-4qpmA:
undetectable		 3qeoA-4qpmA:
19.83
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.
4u0t ADC-7 BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00144
(Beta-lactamase) 		5 VAL A 353
LEU A 333
MET A 335
TYR A 322
LEU A  19
 None
 1.28A 3qeoA-4u0tA:
undetectable		 3qeoA-4u0tA:
22.38
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.
5b3h PROTEIN SCARECROW

(Arabidopsis
thaliana) 		PF03514
(GRAS) 		5 GLU A 484
VAL A 486
LEU A 512
ARG A 432
LEU A 436
 None
 1.49A 3qeoA-5b3hA:
undetectable		 3qeoA-5b3hA:
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.
5ipy FLAVIN-CONTAINING
MONOOXYGENASE

(Roseovarius
nubinhibens) 		PF00743
(FMO-like) 		5 LEU A 380
TYR A 376
GLN A  17
PHE A 311
LEU A 313
 None
 1.47A 3qeoA-5ipyA:
1.4		 3qeoA-5ipyA:
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.
5u03 CTP SYNTHASE 1

(Homo sapiens) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 GLU A 513
VAL A 463
LEU A 555
TYR A 554
PHE A 519
 None
 1.29A 3qeoA-5u03A:
5.2		 3qeoA-5u03A:
17.25
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 5 GLU O  53
LEU O  79
GLN O  97
ARG O 126
GLU O 191
 ADP  O 401 ( 4.7A)
None
ADP  O 401 (-3.5A)
ADP  O 401 ( 4.3A)
ADP  O 401 (-3.2A)
 1.23A 3qeoA-6g2jO:
undetectable		 3qeoA-6g2jO:
11.39
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.
6gbh HOPQ

(Helicobacter
pylori) 		no annotation 5 GLU C 357
VAL C 380
LEU C  89
MET C 281
GLU C 388
 None
 1.23A 3qeoA-6gbhC:
undetectable		 3qeoA-6gbhC:
13.57