SIMILAR PATTERNS OF AMINO ACIDS FOR 3KO0_R_TFPR202_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.
1tow FATTY ACID-BINDING
PROTEIN, ADIPOCYTE

(Homo sapiens) 		PF00061
(Lipocalin) 		5 ILE A  42
CYH A   1
SER A  82
PHE A  64
PHE A  70
 None
 1.35A 3ko0Q-1towA:
0.0
3ko0R-1towA:
0.0
3ko0S-1towA:
0.0
3ko0T-1towA:
undetectable		 3ko0Q-1towA:
18.18
3ko0R-1towA:
18.18
3ko0S-1towA:
18.18
3ko0T-1towA:
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.
1u08 HYPOTHETICAL
AMINOTRANSFERASE
YBDL

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 GLU A 117
ASP A 116
SER A 161
ILE A 119
PHE A 198
 None
 1.31A 3ko0Q-1u08A:
0.0
3ko0R-1u08A:
0.0
3ko0S-1u08A:
0.0
3ko0T-1u08A:
undetectable		 3ko0Q-1u08A:
13.17
3ko0R-1u08A:
13.17
3ko0S-1u08A:
13.17
3ko0T-1u08A:
13.17
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.
1xzo HYPOTHETICAL PROTEIN
YPMQ

(Bacillus
subtilis) 		PF02630
(SCO1-SenC) 		5 CYH A  49
ASP A  39
SER A  74
PHE A  90
PHE A 103
 None
 1.43A 3ko0Q-1xzoA:
undetectable
3ko0R-1xzoA:
undetectable
3ko0S-1xzoA:
undetectable
3ko0T-1xzoA:
undetectable		 3ko0Q-1xzoA:
19.43
3ko0R-1xzoA:
19.43
3ko0S-1xzoA:
19.43
3ko0T-1xzoA:
19.43
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.
1ytm PHOSPHOENOLPYRUVATE
CARBOXYKINASE [ATP]

(Anaerobiospirillum
succiniciproducens) 		PF01293
(PEPCK_ATP) 		5 GLU A 203
ASP A  64
ILE A 195
ASP A  86
PHE A 186
 None
 1.34A 3ko0Q-1ytmA:
0.0
3ko0R-1ytmA:
undetectable
3ko0S-1ytmA:
undetectable
3ko0T-1ytmA:
undetectable		 3ko0Q-1ytmA:
11.22
3ko0R-1ytmA:
11.22
3ko0S-1ytmA:
11.22
3ko0T-1ytmA:
11.22
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.
2d1g ACID PHOSPHATASE

(Francisella
tularensis) 		PF04185
(Phosphoesterase) 		5 ASP A 375
SER A 339
ILE A 381
PHE A 326
PHE A 253
 None
 1.35A 3ko0Q-2d1gA:
undetectable
3ko0R-2d1gA:
undetectable
3ko0S-2d1gA:
undetectable
3ko0T-2d1gA:
undetectable		 3ko0Q-2d1gA:
11.51
3ko0R-2d1gA:
11.51
3ko0S-2d1gA:
11.51
3ko0T-2d1gA:
11.51
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.
2vg8 HYDROQUINONE
GLUCOSYLTRANSFERASE

(Arabidopsis
thaliana) 		PF00201
(UDPGT) 		5 SER A 274
ILE A 343
CYH A 258
SER A 369
PHE A 361
 UDP  A1477 ( 3.7A)
None
None
UDP  A1477 (-2.6A)
None
 1.40A 3ko0Q-2vg8A:
undetectable
3ko0R-2vg8A:
0.0
3ko0S-2vg8A:
0.0
3ko0T-2vg8A:
undetectable		 3ko0Q-2vg8A:
12.24
3ko0R-2vg8A:
12.24
3ko0S-2vg8A:
12.24
3ko0T-2vg8A:
12.24
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.
3e13 PUTATIVE IRON-UPTAKE
ABC TRANSPORT
SYSTEM,PERIPLASMIC
IRON-BINDING PROTEIN

(Campylobacter
jejuni) 		PF13343
(SBP_bac_6) 		5 PHE X 100
ILE X  88
PHE X 259
ASP X  18
SER X  11
 None
 1.38A 3ko0Q-3e13X:
0.0
3ko0R-3e13X:
0.0
3ko0S-3e13X:
0.0
3ko0T-3e13X:
undetectable		 3ko0Q-3e13X:
16.67
3ko0R-3e13X:
16.67
3ko0S-3e13X:
16.67
3ko0T-3e13X:
16.67
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.
3e13 PUTATIVE IRON-UPTAKE
ABC TRANSPORT
SYSTEM,PERIPLASMIC
IRON-BINDING PROTEIN

(Campylobacter
jejuni) 		PF13343
(SBP_bac_6) 		5 SER X 239
ILE X 278
PHE X 259
ASP X  18
SER X  11
 None
 1.21A 3ko0Q-3e13X:
0.0
3ko0R-3e13X:
0.0
3ko0S-3e13X:
0.0
3ko0T-3e13X:
undetectable		 3ko0Q-3e13X:
16.67
3ko0R-3e13X:
16.67
3ko0S-3e13X:
16.67
3ko0T-3e13X:
16.67
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.
3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Aeropyrum
pernix) 		PF13458
(Peripla_BP_6) 		5 SER A 171
PHE A 410
ILE A 395
PHE A 298
ASP A 164
 None
 1.21A 3ko0Q-3eafA:
undetectable
3ko0R-3eafA:
undetectable
3ko0S-3eafA:
undetectable
3ko0T-3eafA:
undetectable		 3ko0Q-3eafA:
12.92
3ko0R-3eafA:
12.92
3ko0S-3eafA:
12.92
3ko0T-3eafA:
12.92
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.
3kby PUTATIVE
UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF10804
(DUF2538) 		5 GLU A 103
ASP A 106
SER A 113
PHE A 110
ILE A 109
 None
 1.08A 3ko0Q-3kbyA:
undetectable
3ko0R-3kbyA:
undetectable
3ko0S-3kbyA:
undetectable
3ko0T-3kbyA:
undetectable		 3ko0Q-3kbyA:
21.13
3ko0R-3kbyA:
21.13
3ko0S-3kbyA:
21.13
3ko0T-3kbyA:
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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		5 SER A 188
ILE A 236
CYH A 172
SER A 260
PHE A 291
 None
 1.41A 3ko0Q-3upyA:
0.0
3ko0R-3upyA:
0.0
3ko0S-3upyA:
0.0
3ko0T-3upyA:
undetectable		 3ko0Q-3upyA:
12.68
3ko0R-3upyA:
12.68
3ko0S-3upyA:
12.68
3ko0T-3upyA:
12.68
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.
4mnd CTP
L-MYO-INOSITOL-1-PHO
SPHATE
CYTIDYLYLTRANSFERASE
/CDP-L-MYO-INOSITOL
MYO-INOSITOLPHOSPHOT
RANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf)
PF12804
(NTP_transf_3) 		5 GLU A 362
SER A 308
ILE A 363
ASP A 296
SER A 300
 None
 1.37A 3ko0Q-4mndA:
1.1
3ko0R-4mndA:
0.3
3ko0S-4mndA:
0.3
3ko0T-4mndA:
1.0		 3ko0Q-4mndA:
12.84
3ko0R-4mndA:
12.84
3ko0S-4mndA:
12.84
3ko0T-4mndA:
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.
4tzi TYROSINE-PROTEIN
KINASE LYN

(Mus musculus) 		PF00017
(SH2) 		5 GLU A 127
PHE A 130
CYH A 203
PHE A 201
PHE A 153
 None
 1.46A 3ko0Q-4tziA:
undetectable
3ko0R-4tziA:
undetectable
3ko0S-4tziA:
undetectable
3ko0T-4tziA:
undetectable		 3ko0Q-4tziA:
19.51
3ko0R-4tziA:
19.51
3ko0S-4tziA:
19.51
3ko0T-4tziA:
19.51
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.
4u3t PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase) 		5 SER A 368
ILE A 413
ASP A 346
SER A 363
PHE A 420
 None
 1.19A 3ko0Q-4u3tA:
0.0
3ko0R-4u3tA:
0.0
3ko0S-4u3tA:
0.0
3ko0T-4u3tA:
undetectable		 3ko0Q-4u3tA:
15.76
3ko0R-4u3tA:
15.76
3ko0S-4u3tA:
15.76
3ko0T-4u3tA:
15.76
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.
4wzz PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		5 GLU A 356
ASP A 281
PHE A 355
ILE A 360
ASP A 169
 None
None
EDO  A 403 ( 4.8A)
None
None
 1.21A 3ko0Q-4wzzA:
undetectable
3ko0R-4wzzA:
undetectable
3ko0S-4wzzA:
undetectable
3ko0T-4wzzA:
undetectable		 3ko0Q-4wzzA:
13.01
3ko0R-4wzzA:
13.01
3ko0S-4wzzA:
13.01
3ko0T-4wzzA:
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.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		5 GLU A  71
SER A  79
ILE A  94
ASP A 172
SER A  49
 SAM  A1001 ( 4.4A)
SAM  A1001 (-2.7A)
None
None
SAM  A1001 (-2.4A)
 1.46A 3ko0Q-4ymgA:
undetectable
3ko0R-4ymgA:
0.0
3ko0S-4ymgA:
undetectable
3ko0T-4ymgA:
undetectable		 3ko0Q-4ymgA:
18.38
3ko0R-4ymgA:
18.38
3ko0S-4ymgA:
18.38
3ko0T-4ymgA:
18.38
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.
5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL

(Homo sapiens) 		PF00180
(Iso_dh) 		5 GLU A 260
SER A 248
PHE A 259
ILE A 258
SER A 233
 None
None
None
None
MG  A 401 ( 4.2A)
 1.33A 3ko0Q-5griA:
undetectable
3ko0R-5griA:
undetectable
3ko0S-5griA:
undetectable
3ko0T-5griA:
undetectable		 3ko0Q-5griA:
13.99
3ko0R-5griA:
13.99
3ko0S-5griA:
13.99
3ko0T-5griA:
13.99
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.
5hyh UNCHARACTERIZED
PROTEIN

(Streptomyces
venezuelae) 		PF11583
(AurF) 		5 SER A  95
PHE A  69
ILE A  74
SER A 164
PHE A 166
 None
 1.20A 3ko0Q-5hyhA:
0.0
3ko0R-5hyhA:
0.0
3ko0S-5hyhA:
0.0
3ko0T-5hyhA:
undetectable		 3ko0Q-5hyhA:
14.19
3ko0R-5hyhA:
14.19
3ko0S-5hyhA:
14.19
3ko0T-5hyhA:
14.19
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.
5iva LPS-ASSEMBLY PROTEIN
LPTD

(Pseudomonas
aeruginosa) 		PF04453
(OstA_C) 		5 ASP A 593
PHE A 572
ASP A  57
SER A  56
PHE A 611
 None
None
None
C8E  A 702 ( 4.9A)
None
 1.48A 3ko0Q-5ivaA:
undetectable
3ko0R-5ivaA:
undetectable
3ko0S-5ivaA:
undetectable
3ko0T-5ivaA:
undetectable		 3ko0Q-5ivaA:
10.61
3ko0R-5ivaA:
10.61
3ko0S-5ivaA:
10.61
3ko0T-5ivaA:
10.61
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.
5k04 UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF09797
(NatB_MDM20) 		5 GLU A  94
SER A  90
ILE A  97
CYH A 108
PHE A 112
 None
 1.27A 3ko0Q-5k04A:
1.7
3ko0R-5k04A:
undetectable
3ko0S-5k04A:
0.0
3ko0T-5k04A:
undetectable		 3ko0Q-5k04A:
9.64
3ko0R-5k04A:
9.64
3ko0S-5k04A:
9.64
3ko0T-5k04A:
9.64
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.
5ksh PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 SER A 368
ILE A 413
ASP A 346
SER A 363
PHE A 420
 None
 1.21A 3ko0Q-5kshA:
0.0
3ko0R-5kshA:
undetectable
3ko0S-5kshA:
undetectable
3ko0T-5kshA:
undetectable		 3ko0Q-5kshA:
10.70
3ko0R-5kshA:
10.70
3ko0S-5kshA:
10.70
3ko0T-5kshA:
10.70
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.
5xgu RIBONUCLEASE R

(Escherichia
coli) 		no annotation 5 PHE B 552
ILE B 582
SER B 241
PHE B 350
PHE B 352
 None
 1.45A 3ko0Q-5xguB:
undetectable
3ko0R-5xguB:
undetectable
3ko0S-5xguB:
undetectable
3ko0T-5xguB:
undetectable		 3ko0Q-5xguB:
10.73
3ko0R-5xguB:
10.73
3ko0S-5xguB:
10.73
3ko0T-5xguB:
10.73