SIMILAR PATTERNS OF AMINO ACIDS FOR 4TWD_B_377B401_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.
1r03 MITOCHONDRIAL
FERRITIN

(Homo sapiens) 		PF00210
(Ferritin) 		4 TYR A  34
GLU A 107
GLU A 147
TYR A  54
 None
 1.48A 4twdA-1r03A:
3.6
4twdB-1r03A:
3.6		 4twdA-1r03A:
20.79
4twdB-1r03A:
20.79
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.
1r03 MITOCHONDRIAL
FERRITIN

(Homo sapiens) 		PF00210
(Ferritin) 		4 TYR A  54
GLU A 147
GLU A 107
TYR A  34
 None
 1.33A 4twdA-1r03A:
3.6
4twdB-1r03A:
3.6		 4twdA-1r03A:
20.79
4twdB-1r03A:
20.79
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.
1v5c CHITOSANASE

(Bacillus sp.
(in: Bacteria)) 		PF01270
(Glyco_hydro_8) 		4 TYR A 375
GLU A 410
TYR A 318
PHE A 413
 None
 1.50A 4twdA-1v5cA:
2.6
4twdB-1v5cA:
2.6		 4twdA-1v5cA:
21.92
4twdB-1v5cA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bzn GMP REDUCTASE 2

(Homo sapiens) 		PF00478
(IMPDH) 		4 TYR A 196
GLU A 204
GLU A 163
TYR A 134
 None
 1.38A 4twdA-2bznA:
undetectable
4twdB-2bznA:
undetectable		 4twdA-2bznA:
18.84
4twdB-2bznA:
18.84
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.
2dyl DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLU A 220
GLU A 330
TYR A 299
PHE A 336
 None
 1.31A 4twdA-2dylA:
undetectable
4twdB-2dylA:
undetectable		 4twdA-2dylA:
20.54
4twdB-2dylA:
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		4 TYR A 841
GLU A 839
GLU A 813
TYR A 802
 None
 1.12A 4twdA-3abzA:
3.1
4twdB-3abzA:
3.1		 4twdA-3abzA:
16.81
4twdB-3abzA:
16.81
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.
3i27 HEMAGGLUTININ-ESTERA
SE

(Bovine
torovirus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		4 TYR A 272
GLU A  96
TYR A 124
PHE A  94
 None
 1.29A 4twdA-3i27A:
0.0
4twdB-3i27A:
undetectable		 4twdA-3i27A:
20.95
4twdB-3i27A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i36 VASCULAR PROTEIN
TYROSINE PHOSPHATASE
1

(Rattus
norvegicus) 		PF00102
(Y_phosphatase) 		4 GLU A 922
GLU A 923
TYR A 908
PHE A 920
 None
 1.27A 4twdA-3i36A:
0.0
4twdB-3i36A:
0.0		 4twdA-3i36A:
21.68
4twdB-3i36A:
21.68
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.
3mn2 PROBABLE ARAC FAMILY
TRANSCRIPTIONAL
REGULATOR

(Rhodopseudomonas
palustris) 		PF12833
(HTH_18) 		4 GLU A 229
GLU A 225
TYR A 262
PHE A 256
 None
 1.48A 4twdA-3mn2A:
undetectable
4twdB-3mn2A:
undetectable		 4twdA-3mn2A:
15.81
4twdB-3mn2A:
15.81
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.
3pvd CAPSID

(Norwalk virus) 		PF08435
(Calici_coat_C) 		4 TYR A 522
GLU A 485
GLU A 515
PHE A 514
 None
 1.44A 4twdA-3pvdA:
0.0
4twdB-3pvdA:
0.0		 4twdA-3pvdA:
22.70
4twdB-3pvdA:
22.70
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.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		4 TYR A 383
GLU A 540
TYR A 445
PHE A 543
 None
 1.00A 4twdA-3rm5A:
3.3
4twdB-3rm5A:
0.0		 4twdA-3rm5A:
16.91
4twdB-3rm5A:
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.
3wnw FERRITIN HEAVY CHAIN

(Mus musculus) 		PF00210
(Ferritin) 		4 TYR A  34
GLU A 107
GLU A 147
TYR A  54
 None
 1.41A 4twdA-3wnwA:
3.7
4twdB-3wnwA:
3.6		 4twdA-3wnwA:
19.05
4twdB-3wnwA:
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.
3wnw FERRITIN HEAVY CHAIN

(Mus musculus) 		PF00210
(Ferritin) 		4 TYR A  54
GLU A 147
GLU A 107
TYR A  34
 None
 1.29A 4twdA-3wnwA:
3.7
4twdB-3wnwA:
3.6		 4twdA-3wnwA:
19.05
4twdB-3wnwA:
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.
4ar9 COLLAGENASE COLT

(Clostridium
tetani) 		PF01752
(Peptidase_M9) 		4 TYR A 541
GLU A 499
GLU A 498
TYR A 487
 None
ZN  A1731 (-2.6A)
None
None
 1.42A 4twdA-4ar9A:
0.0
4twdB-4ar9A:
0.0		 4twdA-4ar9A:
22.06
4twdB-4ar9A:
22.06
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.
4as3 PHOSPHORYLCHOLINE
PHOSPHATASE

(Pseudomonas
aeruginosa) 		no annotation 4 TYR A  83
GLU A  43
GLU A  42
PHE A 102
 None
BTB  A1332 ( 3.4A)
BTB  A1330 ( 4.6A)
None
 1.37A 4twdA-4as3A:
undetectable
4twdB-4as3A:
undetectable		 4twdA-4as3A:
21.90
4twdB-4as3A:
21.90
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.
4hoo LYSINE-SPECIFIC
DEMETHYLASE 4D

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		4 TYR A 303
GLU A  39
TYR A 199
PHE A 275
 None
 1.48A 4twdA-4hooA:
undetectable
4twdB-4hooA:
undetectable		 4twdA-4hooA:
20.35
4twdB-4hooA:
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.
4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I

(Bacillus
subtilis) 		PF13424
(TPR_12) 		4 GLU A 236
GLU A 343
TYR A 271
PHE A 340
 None
 1.42A 4twdA-4i1aA:
2.9
4twdB-4i1aA:
3.0		 4twdA-4i1aA:
21.22
4twdB-4i1aA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kk2 MONOTERPENE SYNTHASE
FDS-5, CHLOROPLASTIC
- FARNESYL
DIPHOSPHATE SYNTHASE
1 CHIMERA

(Artemisia
spiciformis) 		PF00348
(polyprenyl_synt) 		4 TYR A  63
GLU A  75
TYR A 146
PHE A 141
 None
 1.44A 4twdA-4kk2A:
2.4
4twdB-4kk2A:
2.3		 4twdA-4kk2A:
20.88
4twdB-4kk2A:
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.
4n4k HYDROXYLAMINE
OXIDOREDUCTASE

(Candidatus
Kuenenia
stuttgartiensis) 		PF13447
(Multi-haem_cyto) 		4 TYR A 498
GLU A 219
GLU A 218
TYR A  70
 None
 0.77A 4twdA-4n4kA:
1.5
4twdB-4n4kA:
2.0		 4twdA-4n4kA:
21.08
4twdB-4n4kA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r16 418AA LONG
HYPOTHETICAL
UDP-N-ACETYL-D-MANNO
SAMINURONIC ACID
DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 TYR A 350
GLU A 376
TYR A 347
PHE A 377
 None
 1.37A 4twdA-4r16A:
undetectable
4twdB-4r16A:
undetectable		 4twdA-4r16A:
20.66
4twdB-4r16A:
20.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twf CYS-LOOP
LIGAND-GATED ION
CHANNEL

(Dickeya
chrysanthemi) 		PF02931
(Neur_chan_LBD) 		4 GLU A  77
GLU A 131
TYR A 175
PHE A 188
 BR7  A 401 ( 4.9A)
BR7  A 401 (-4.1A)
BR7  A 401 (-3.9A)
BR7  A 401 (-3.9A)
 0.34A 4twdA-4twfA:
34.7
4twdB-4twfA:
34.0		 4twdA-4twfA:
100.00
4twdB-4twfA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL

(Dickeya
chrysanthemi;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		4 GLU A  77
GLU A 131
TYR A 175
PHE A 188
 None
 0.62A 4twdA-4yeuA:
29.5
4twdB-4yeuA:
29.3		 4twdA-4yeuA:
71.25
4twdB-4yeuA:
71.25
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.
4zpx ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF13654
(AAA_32) 		4 TYR A 399
GLU A  31
GLU A  32
PHE A  27
 None
 0.82A 4twdA-4zpxA:
undetectable
4twdB-4zpxA:
undetectable		 4twdA-4zpxA:
21.12
4twdB-4zpxA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a08 PROBABLE
MANNOSYLTRANSFERASE
KTR4

(Saccharomyces
cerevisiae) 		PF01793
(Glyco_transf_15) 		4 GLU A 311
GLU A 312
TYR A 370
PHE A 309
 None
 1.42A 4twdA-5a08A:
undetectable
4twdB-5a08A:
undetectable		 4twdA-5a08A:
20.37
4twdB-5a08A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u9o PLASTID DIVISION
PROTEIN CDP1,
CHLOROPLASTIC,PLASTI
D DIVISION PROTEIN
PDV1

(Arabidopsis
thaliana) 		no annotation 4 TYR A 794
GLU A 775
GLU A 701
TYR A 798
 None
 1.21A 4twdA-5u9oA:
undetectable
4twdB-5u9oA:
undetectable		 4twdA-5u9oA:
13.36
4twdB-5u9oA:
13.36
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.
5y6o DEATH
DOMAIN-ASSOCIATED
PROTEIN
6,TRANSCRIPTIONAL
REGULATOR ATRX

(Homo sapiens) 		no annotation 4 GLU A  72
GLU A  68
TYR A  89
PHE A  67
 None
 1.27A 4twdA-5y6oA:
2.8
4twdB-5y6oA:
2.8		 4twdA-5y6oA:
17.14
4twdB-5y6oA:
17.14
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.
6ewj PUTATIVE CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN

(Streptococcus
pneumoniae) 		no annotation 4 TYR A 138
GLU A 130
GLU A 109
TYR A 112
 None
 1.47A 4twdA-6ewjA:
undetectable
4twdB-6ewjA:
undetectable		 4twdA-6ewjA:
13.16
4twdB-6ewjA:
13.16