SIMILAR PATTERNS OF AMINO ACIDS FOR 3OWX_A_XRAA233_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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 GLY A  91
GLY A 183
MET A 187
VAL A 190
ILE A 433
 PTT  A 800 (-3.2A)
PTT  A 800 (-3.4A)
None
None
None
 1.49A 3owxA-1b25A:
undetectable		 3owxA-1b25A:
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.
1eu1 DIMETHYL SULFOXIDE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 GLY A 716
GLY A 717
TYR A 733
VAL A 773
GLU A 715
 None
None
None
None
MGD  A1001 (-3.9A)
 1.17A 3owxA-1eu1A:
2.4		 3owxA-1eu1A:
16.19
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.
1kcz BETA-METHYLASPARTASE

(Clostridium
tetanomorphum) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		5 GLY A 359
GLY A 358
TYR A 356
VAL A 328
GLU A 363
 None
 1.25A 3owxA-1kczA:
undetectable		 3owxA-1kczA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q51 MENB

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		5 TRP A 157
GLY A 104
GLY A 105
VAL A 188
ILE A 136
 CAA  A 501 (-3.6A)
CAA  A 501 (-3.5A)
CAA  A 501 (-3.9A)
CAA  A 501 (-4.8A)
None
 1.32A 3owxA-1q51A:
undetectable		 3owxA-1q51A:
24.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qbg NAD(P)H
DEHYDROGENASE
[QUINONE] 1

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		5 TRP A 105
GLY A 149
GLY A 150
MET A 154
TYR A 155
 FAD  A 501 (-4.5A)
FAD  A 501 (-3.9A)
FAD  A 501 (-4.0A)
None
FAD  A 501 (-4.9A)
 0.60A 3owxA-1qbgA:
32.9		 3owxA-1qbgA:
39.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qrd QUINONE-REDUCTASE

(Rattus rattus) 		PF02525
(Flavodoxin_2) 		6 TRP A 105
GLY A 149
GLY A 150
MET A 154
TYR A 155
VAL A 160
 DQN  A 276 ( 3.6A)
CBD  A 275 ( 3.7A)
FAD  A 274 (-3.7A)
CBD  A 275 ( 4.4A)
None
None
 0.55A 3owxA-1qrdA:
29.6		 3owxA-1qrdA:
41.88
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.
1wxd SHIKIMATE
5-DEHYDROGENASE

(Thermus
thermophilus) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 GLY A 126
GLY A 128
VAL A 176
GLU A  65
ILE A  81
 ACT  A1301 ( 4.3A)
None
None
ACT  A1301 (-3.6A)
None
 1.13A 3owxA-1wxdA:
5.0		 3owxA-1wxdA:
22.01
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.
1zki HYPOTHETICAL PROTEIN
PA5202

(Pseudomonas
aeruginosa) 		PF03061
(4HBT) 		5 GLY A  50
GLY A  49
VAL A  46
ASN A  42
ILE A  81
 None
 1.49A 3owxA-1zkiA:
undetectable		 3owxA-1zkiA:
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.
2k0d COLICIN-E7 IMMUNITY
PROTEIN

(Escherichia
coli) 		PF01320
(Colicin_Pyocin) 		5 GLY X  69
GLY X  70
ASN X  64
GLU X  78
ILE X  75
 None
 1.23A 3owxA-2k0dX:
undetectable		 3owxA-2k0dX:
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.
2mqb PROBABLE
BETA-LACTAMASE

(Staphylococcus
aureus) 		PF16229
(DUF4888) 		5 GLY A  50
GLY A  26
VAL A  76
ASN A  29
ILE A  19
 None
 1.15A 3owxA-2mqbA:
undetectable		 3owxA-2mqbA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2okj GLUTAMATE
DECARBOXYLASE 1

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 GLY A 378
GLY A 379
MET A 407
VAL A 409
ILE A 236
 None
 1.17A 3owxA-2okjA:
2.8		 3owxA-2okjA:
18.31
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.
2qr6 IMP
DEHYDROGENASE/GMP
REDUCTASE

(Corynebacterium
glutamicum) 		PF00478
(IMPDH) 		5 GLY A 220
GLY A 221
VAL A 306
ASN A 224
ILE A 218
 None
 1.31A 3owxA-2qr6A:
undetectable		 3owxA-2qr6A:
21.39
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.
2r6u UNCHARACTERIZED
PROTEIN

(Rhodococcus
jostii) 		PF00903
(Glyoxalase) 		5 TRP A 121
GLY A  60
GLY A  61
VAL A  68
ILE A  30
 None
 1.37A 3owxA-2r6uA:
undetectable		 3owxA-2r6uA:
20.34
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.
2wtz UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--2,6-DIAMINOPIMELA
TE LIGASE

(Mycobacterium
tuberculosis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLY A 156
TYR A 343
ASN A 344
GLU A 220
ILE A 151
 None
 1.31A 3owxA-2wtzA:
3.1		 3owxA-2wtzA:
17.72
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.
3d31 SULFATE/MOLYBDATE
ABC TRANSPORTER,
ATP-BINDING PROTEIN

(Methanosarcina
acetivorans) 		PF00005
(ABC_tran)
PF03459
(TOBE) 		5 GLY A  36
GLY A  38
ASN A  13
GLU A 153
ILE A 184
 None
 1.41A 3owxA-3d31A:
undetectable		 3owxA-3d31A:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3loq UNIVERSAL STRESS
PROTEIN

(Archaeoglobus
fulgidus) 		PF00582
(Usp) 		5 GLY A 175
GLY A 174
VAL A  24
GLU A 205
ILE A 204
 None
 1.27A 3owxA-3loqA:
undetectable		 3owxA-3loqA:
23.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		9 TRP A 105
GLY A 149
GLY A 150
MET A 154
TYR A 155
VAL A 160
ASN A 161
GLU A 193
ILE A 194
 FAD  A 232 ( 4.3A)
FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
FAD  A 232 (-4.6A)
None
None
FAD  A 232 ( 3.1A)
None
 0.31A 3owxA-3te7A:
38.9		 3owxA-3te7A:
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.
3vov GLUCOKINASE

(Thermus
thermophilus) 		PF00480
(ROK) 		5 GLY A 137
GLY A 138
VAL A 146
ASN A 109
GLU A 178
 None
 1.49A 3owxA-3vovA:
undetectable		 3owxA-3vovA:
21.93
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.
4b45 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 GLY A 318
GLY A 317
VAL A 314
GLU A 320
ILE A 222
 None
 1.38A 3owxA-4b45A:
6.2		 3owxA-4b45A:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 GLY A 349
GLY B 293
VAL A 406
GLU A 315
ILE B 304
 None
 1.13A 3owxA-4cakA:
undetectable		 3owxA-4cakA:
13.47
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.
4cns DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 GLY A  21
GLY A  22
TYR A  32
GLU A  59
ILE A  19
 None
 1.48A 3owxA-4cnsA:
undetectable		 3owxA-4cnsA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dry 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF00106
(adh_short) 		5 GLY A  19
GLY A  18
VAL A  93
ASN A  95
ILE A  54
 None
 1.44A 3owxA-4dryA:
4.3		 3owxA-4dryA:
20.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gi5 QUINONE REDUCTASE

(Klebsiella
pneumoniae) 		PF02525
(Flavodoxin_2) 		5 TRP A 102
GLY A 154
GLY A 155
TYR A 160
ASN A 166
 FAD  A 301 (-4.1A)
FAD  A 301 (-3.6A)
FAD  A 301 (-3.5A)
FAD  A 301 (-4.7A)
None
 0.39A 3owxA-4gi5A:
30.3		 3owxA-4gi5A:
38.10
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.
4j9t DESIGNED UNNATURAL
AMINO ACID DEPENDENT
METALLOPROTEIN

(Micromonospora
viridifaciens) 		PF13088
(BNR_2) 		5 GLY A 382
TYR A 393
ASN A 395
GLU A 208
ILE A 315
 None
 1.48A 3owxA-4j9tA:
undetectable		 3owxA-4j9tA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24

(Actinoplanes
teichomyceticus) 		no annotation 5 GLY A 157
GLY A 158
ASN A 160
GLU A  57
ILE A  58
 None
 1.36A 3owxA-4q38A:
undetectable		 3owxA-4q38A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q6r SPHINGOSINE-1-PHOSPH
ATE LYASE 1

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 GLY A 398
GLY A 399
TYR A 164
GLU A 185
ILE A 184
 None
 1.07A 3owxA-4q6rA:
undetectable		 3owxA-4q6rA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d79 BERBERINE BRIDGE
ENZYME-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A 180
GLY A 181
VAL A 471
ASN A 472
ILE A 239
 FAD  A 603 (-3.6A)
FAD  A 603 (-3.2A)
None
FAD  A 603 (-3.7A)
FAD  A 603 (-3.8A)
 1.43A 3owxA-5d79A:
undetectable		 3owxA-5d79A:
17.46
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.
5msc CARBOXYLIC ACID
REDUCTASE

(Nocardia
iowensis) 		PF00501
(AMP-binding) 		5 TRP A 276
GLY A 315
TYR A  55
GLU A 339
ILE A 291
 None
 1.39A 3owxA-5mscA:
3.2		 3owxA-5mscA:
11.62