SIMILAR PATTERNS OF AMINO ACIDS FOR 4WW7_A_ACTA303

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.
1j2q PROTEASOME ALPHA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		4 LEU A  21
VAL A  24
GLU A  25
ARG A  28
 None
 1.29A 4ww7A-1j2qA:
0.0		 4ww7A-1j2qA:
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.
1j5x GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Thermotoga
maritima) 		PF01380
(SIS) 		4 LEU A 279
VAL A 278
GLU A 280
ARG A 268
 None
 1.18A 4ww7A-1j5xA:
0.0		 4ww7A-1j5xA:
21.73
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.
1taq TAQ DNA POLYMERASE

(Thermus
aquaticus) 		PF00476
(DNA_pol_A)
PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N)
PF09281
(Taq-exonuc) 		4 LEU A 294
VAL A 332
GLU A 296
ARG A 334
 None
 1.36A 4ww7A-1taqA:
0.0		 4ww7A-1taqA:
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.
1x51 A/G-SPECIFIC ADENINE
DNA GLYCOSYLASE

(Homo sapiens) 		PF14815
(NUDIX_4) 		4 LEU A  38
VAL A  39
GLU A  52
ARG A  41
 None
 1.21A 4ww7A-1x51A:
0.0		 4ww7A-1x51A:
21.13
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.
2ggm CENTRIN-2

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 LEU A 133
VAL A 129
GLU A 132
ARG A 128
 None
 1.02A 4ww7A-2ggmA:
undetectable		 4ww7A-2ggmA:
21.07
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.
2gjm LACTOPEROXIDASE

(Bubalus bubalis) 		PF03098
(An_peroxidase) 		4 LEU A 455
VAL A 454
GLU A 483
ARG A 437
 None
 1.49A 4ww7A-2gjmA:
0.0		 4ww7A-2gjmA:
19.71
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.
2o3b NUCLEASE
SUGAR-NON-SPECIFIC
NUCLEASE INHIBITOR

(Nostoc sp. PCC
7120;
Nostoc sp. PCC
7120) 		PF01223
(Endonuclease_NS)
PF07924
(NuiA) 		4 LEU B 112
VAL B 110
GLU B 111
ARG A 156
 None
MES  A 901 (-4.6A)
None
MES  A 901 (-4.8A)
 1.49A 4ww7A-2o3bB:
0.0		 4ww7A-2o3bB:
19.68
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.
2qai V-TYPE ATP SYNTHASE
SUBUNIT F

(Pyrococcus
furiosus) 		PF01990
(ATP-synt_F) 		4 LEU A  30
VAL A  33
GLU A  34
ARG A  37
 None
 1.14A 4ww7A-2qaiA:
0.0		 4ww7A-2qaiA:
18.01
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.
2uud NQ10-1.12 ANTI-PHOX
ANTIBODY

(Mus musculus) 		PF07686
(V-set) 		4 LEU K  15
VAL K  78
GLU K  79
ARG K  61
 None
 1.31A 4ww7A-2uudK:
0.0		 4ww7A-2uudK:
17.90
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.
3fjo NADPH-CYTOCHROME
P450 REDUCTASE

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 LEU A 397
VAL A 401
GLU A 402
ARG A 404
 None
None
None
FAD  A 750 (-3.7A)
 1.33A 4ww7A-3fjoA:
undetectable		 4ww7A-3fjoA:
17.87
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.
3iup PUTATIVE
NADPH:QUINONE
OXIDOREDUCTASE

(Cupriavidus
pinatubonensis) 		no annotation 4 LEU A 160
VAL A 163
GLU A 164
ARG A 167
 ACT  A 383 (-4.0A)
ACT  A 383 (-4.5A)
ACT  A 383 (-3.8A)
ACT  A 384 ( 2.7A)
 1.20A 4ww7A-3iupA:
0.1		 4ww7A-3iupA:
21.76
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.
3kv0 HET-C2

(Podospora
anserina) 		PF08718
(GLTP) 		4 LEU A  68
VAL A  71
GLU A  72
ARG A  75
 MLY  A  64 ( 3.5A)
None
MLY  A  76 ( 4.7A)
None
 1.32A 4ww7A-3kv0A:
undetectable		 4ww7A-3kv0A:
23.27
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.
3pt1 UPF0364 PROTEIN
YMR027W

(Saccharomyces
cerevisiae) 		PF01937
(DUF89) 		4 LEU A 180
VAL A 179
GLU A 183
ARG A 216
 None
 0.85A 4ww7A-3pt1A:
undetectable		 4ww7A-3pt1A:
19.87
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.
3q3v PHOSPHOGLYCERATE
KINASE

(Campylobacter
jejuni) 		PF00162
(PGK) 		4 LEU A 388
VAL A 391
GLU A 387
ARG A 395
 None
 0.88A 4ww7A-3q3vA:
undetectable		 4ww7A-3q3vA:
21.89
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.
3wpw POMB

(Vibrio
alginolyticus) 		PF00691
(OmpA) 		4 LEU A 182
VAL A 187
GLU A 180
ARG A 189
 None
 1.27A 4ww7A-3wpwA:
0.4		 4ww7A-3wpwA:
20.59
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.
4cyd PROBABLE
TRANSCRIPTION
REGULATOR

(Corynebacterium
glutamicum) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		4 LEU A 126
VAL A 129
GLU A  83
ARG A 133
 None
None
CMP  A1228 (-2.6A)
CMP  A1228 (-4.4A)
 1.18A 4ww7A-4cydA:
undetectable		 4ww7A-4cydA:
22.94
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.
4efc ADENYLOSUCCINATE
LYASE

(Trypanosoma
brucei) 		PF00206
(Lyase_1)
PF08328
(ASL_C) 		4 LEU A 408
VAL A 407
GLU A 411
ARG A 410
 None
 1.23A 4ww7A-4efcA:
undetectable		 4ww7A-4efcA:
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.
4fur UREASE SUBUNIT GAMMA
2

(Brucella
abortus) 		PF00547
(Urease_gamma) 		4 LEU A  16
VAL A  19
GLU A  34
ARG A  23
 None
None
None
CL  A 203 (-3.5A)
 0.68A 4ww7A-4furA:
undetectable		 4ww7A-4furA:
16.22
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.
4n77 UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		PF09704
(Cas_Cas5d) 		4 LEU A 198
VAL A 224
GLU A 199
ARG A 222
 None
 0.84A 4ww7A-4n77A:
undetectable		 4ww7A-4n77A:
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 LEU A 131
VAL A 137
GLU A 136
ARG A 167
 None
 1.29A 4ww7A-4o9xA:
undetectable		 4ww7A-4o9xA:
7.90
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.
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 LEU A 331
VAL A 334
GLU A 335
ARG A 338
 None
 1.38A 4ww7A-4r16A:
undetectable		 4ww7A-4r16A:
20.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ww7 EKC/KEOPS COMPLEX
SUBUNIT BUD32

(Saccharomyces
cerevisiae) 		PF06293
(Kdo) 		4 LEU A 191
VAL A 192
GLU A 193
ARG A 246
 ACT  A 303 (-3.6A)
ACT  A 303 (-3.0A)
None
ACT  A 303 (-4.0A)
 0.02A 4ww7A-4ww7A:
40.9		 4ww7A-4ww7A:
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.
4xjx HSDR

(Escherichia
coli) 		PF04313
(HSDR_N)
PF04851
(ResIII)
PF12008
(EcoR124_C) 		4 LEU A 759
VAL A 755
GLU A 758
ARG A 750
 None
 1.08A 4ww7A-4xjxA:
undetectable		 4ww7A-4xjxA:
14.73
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.
4z42 UREASE SUBUNIT GAMMA

(Yersinia
enterocolitica) 		PF00547
(Urease_gamma) 		4 LEU A  16
VAL A  19
GLU A  34
ARG A  23
 None
 0.80A 4ww7A-4z42A:
undetectable		 4ww7A-4z42A:
17.69
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.
5cwu NUCLEOPORIN NUP188

(Chaetomium
thermophilum) 		no annotation 4 LEU A1623
VAL A1619
GLU A1622
ARG A1675
 None
 1.10A 4ww7A-5cwuA:
undetectable		 4ww7A-5cwuA:
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.
5hxw L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		4 LEU A 449
VAL A 445
GLU A 448
ARG A 119
 None
 1.41A 4ww7A-5hxwA:
undetectable		 4ww7A-5hxwA:
18.36
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.
5i39 L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		4 LEU A 449
VAL A 445
GLU A 448
ARG A 119
 None
 1.39A 4ww7A-5i39A:
undetectable		 4ww7A-5i39A:
18.78
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.
5ijw GLUTAMATE RACEMASE

(Mycolicibacterium
smegmatis) 		PF01177
(Asp_Glu_race) 		4 LEU A 224
VAL A 220
GLU A 223
ARG A 219
 None
 1.11A 4ww7A-5ijwA:
undetectable		 4ww7A-5ijwA:
23.08
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.
5m3i RNASE III INHIBITOR

(Mycobacterium
tuberculosis) 		PF01661
(Macro) 		4 LEU A 106
VAL A 102
GLU A 105
ARG A 101
 None
 0.96A 4ww7A-5m3iA:
undetectable		 4ww7A-5m3iA:
19.16
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.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		4 LEU A 621
VAL A 620
GLU A 649
ARG A 603
 None
 1.46A 4ww7A-5mfaA:
undetectable		 4ww7A-5mfaA:
18.05
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.
5mqm GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN

(Bacteroides
thetaiotaomicron) 		PF17132
(Glyco_hydro_106) 		4 LEU A 342
VAL A 343
GLU A 337
ARG A 345
 None
 1.37A 4ww7A-5mqmA:
undetectable		 4ww7A-5mqmA:
12.75
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.
5nr4 CLIP-ASSOCIATING
PROTEIN 2

(Homo sapiens) 		no annotation 4 LEU A 190
VAL A 193
GLU A 194
ARG A 197
 None
 1.07A 4ww7A-5nr4A:
undetectable		 4ww7A-5nr4A:
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.
5o32 COMPLEMENT FACTOR
H,COMPLEMENT FACTOR
H

(Homo sapiens) 		PF00084
(Sushi) 		4 LEU C1214
VAL C1200
GLU C1198
ARG C1182
 None
 1.43A 4ww7A-5o32C:
undetectable		 4ww7A-5o32C:
22.68
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.
5obu CHAPERONE PROTEIN
DNAK

(Mycoplasma
genitalium) 		no annotation 4 LEU A  31
VAL A  30
GLU A  32
ARG A  38
 None
 1.26A 4ww7A-5obuA:
undetectable		 4ww7A-5obuA:
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.
5vy3 PROTEASOME SUBUNIT
ALPHA

(Thermoplasma
acidophilum) 		no annotation 4 LEU A  21
VAL A  24
GLU A  25
ARG A  28
 None
 1.11A 4ww7A-5vy3A:
undetectable		 4ww7A-5vy3A:
21.66
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 RISC-LOADING COMPLEX
SUBUNIT TARBP2

(Homo sapiens) 		no annotation 4 LEU B 301
VAL B 297
GLU B 300
ARG B 296
 None
 1.09A 4ww7A-5zalB:
undetectable		 4ww7A-5zalB:
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.
6c9b PLP-DEPENDENT
L-ARGININE
HYDROXYLASE MPPP

(Streptomyces
wadayamensis) 		no annotation 4 LEU A 326
VAL A 322
GLU A 325
ARG A 317
 None
 1.29A 4ww7A-6c9bA:
undetectable		 4ww7A-6c9bA:
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.
6cnj NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2

(Homo sapiens) 		no annotation 4 LEU B  30
VAL B  31
GLU B 157
ARG B  22
 None
 1.21A 4ww7A-6cnjB:
0.1		 4ww7A-6cnjB:
undetectable