SIMILAR PATTERNS OF AMINO ACIDS FOR 1OT7_A_CHCA1001

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.
1fpw CALCIUM-BINDING
PROTEIN NCS-1

(Saccharomyces
cerevisiae) 		PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		5 ILE A 164
PHE A 169
ILE A 152
TYR A 186
HIS A  67
 CA  A 502 (-4.0A)
None
None
None
None
 1.37A 1ot7A-1fpwA:
0.0		 1ot7A-1fpwA:
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.
2ax4 BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 2

(Homo sapiens) 		PF01583
(APS_kinase) 		5 ARG A 176
ILE A 182
PHE A 185
ILE A 132
TYR A 174
 None
 1.43A 1ot7A-2ax4A:
0.0		 1ot7A-2ax4A:
22.46
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.
2wu5 SUCCINATE
DEHYDROGENASE
CYTOCHROME B556
SUBUNIT

(Escherichia
coli) 		PF01127
(Sdh_cyt) 		5 SER C  33
ILE C  36
ILE C  28
TYR C  83
HIS C  91
 None
None
CBE  C1130 (-4.0A)
None
HEM  C 305 (-3.2A)
 1.49A 1ot7A-2wu5C:
1.8		 1ot7A-2wu5C:
20.09
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.
2y9y IMITATION SWITCH
PROTEIN 1
(DEL_ATPASE)

(Saccharomyces
cerevisiae) 		PF09110
(HAND)
PF09111
(SLIDE) 		5 ILE A 934
PHE A 930
ILE A 896
TYR A 926
HIS A 805
 None
 1.17A 1ot7A-2y9yA:
0.0		 1ot7A-2y9yA:
19.84
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.
3bs8 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		5 PHE A 380
ILE A 346
PHE A 424
ILE A 337
TYR A 383
 None
 1.36A 1ot7A-3bs8A:
0.0		 1ot7A-3bs8A:
20.05
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.
3ele AMINO TRANSFERASE

([Eubacterium]
rectale) 		PF00155
(Aminotran_1_2) 		5 PHE A 333
SER A 373
ILE A 372
ILE A  17
TYR A 334
 None
 1.40A 1ot7A-3eleA:
0.0		 1ot7A-3eleA:
20.68
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.
3hbu SECRETED PROTEASE C

(Dickeya
chrysanthemi) 		PF00353
(HemolysinCabind)
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		5 ARG P 183
PHE P 133
ILE P 131
TYR P 166
HIS P 192
 None
None
None
None
ZN  P 487 ( 2.9A)
 1.45A 1ot7A-3hbuP:
0.0		 1ot7A-3hbuP:
17.34
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.
3jaz VIRAL STRUCTURAL
PROTEIN 5

(Cypovirus 1) 		no annotation 5 ILE D 230
PHE D  77
ILE D 198
TYR D 134
TRP D 290
 None
 0.96A 1ot7A-3jazD:
0.0		 1ot7A-3jazD:
19.64
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.
3kg4 UNCHARACTERIZED
PROTEIN

([Mannheimia]
succiniciproducens) 		PF09704
(Cas_Cas5d) 		5 PHE A  16
SER A  27
PHE A  64
ILE A  62
TYR A 114
 None
 1.35A 1ot7A-3kg4A:
undetectable		 1ot7A-3kg4A:
23.55
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.
3no8 BTB/POZ
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF08005
(PHR) 		5 PHE A 523
ARG A 376
ILE A 518
PHE A 406
ILE A 424
 None
 1.35A 1ot7A-3no8A:
undetectable		 1ot7A-3no8A:
18.81
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.
3vzi CRISPR-ASSOCIATED
PROTEIN CAS5, DVULG
SUBTYPE

(Xanthomonas
oryzae) 		PF09704
(Cas_Cas5d) 		5 PHE A  16
SER A  27
PHE A  64
ILE A  62
TYR A 114
 None
 1.35A 1ot7A-3vziA:
undetectable		 1ot7A-3vziA:
22.13
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.
4buj ANTIVIRAL PROTEIN
SKI8

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ARG C 135
SER C 195
ILE C 194
PHE C 241
ILE C 211
 None
 1.49A 1ot7A-4bujC:
undetectable		 1ot7A-4bujC:
19.55
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.
4df9 PUTATIVE PEPTIDASE

(Bacteroides
fragilis) 		PF09471
(Peptidase_M64)
PF16217
(M64_N) 		5 PHE A 422
ILE A 416
PHE A 317
ILE A 176
HIS A  63
 None
None
None
None
GOL  A 507 (-4.1A)
 1.14A 1ot7A-4df9A:
undetectable		 1ot7A-4df9A:
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.
4fem OUTER MEMBRANE
PROTEIN SUSE

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE) 		5 MET A 181
PHE A 208
ILE A 183
PHE A 263
ILE A 278
 None
 1.31A 1ot7A-4femA:
undetectable		 1ot7A-4femA:
19.34
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.
4jhm MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME, C-TERMINAL
DOMAIN PROTEIN

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PHE A 159
SER A 134
PHE A 321
ILE A 338
HIS A 157
 None
 1.38A 1ot7A-4jhmA:
undetectable		 1ot7A-4jhmA:
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.
4jhm MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME, C-TERMINAL
DOMAIN PROTEIN

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 SER A 134
ILE A 132
PHE A 321
ILE A 338
HIS A 157
 None
 1.41A 1ot7A-4jhmA:
undetectable		 1ot7A-4jhmA:
20.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4oiv BILE ACID RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ARG A 335
SER A 336
ILE A 339
ILE A 356
TYR A 373
 None
XX9  A 501 (-4.2A)
None
XX9  A 501 ( 4.6A)
None
 0.92A 1ot7A-4oivA:
24.4		 1ot7A-4oivA:
93.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4oiv BILE ACID RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 PHE A 333
ARG A 335
SER A 336
ILE A 339
ILE A 356
 XX9  A 501 (-4.7A)
None
XX9  A 501 (-4.2A)
None
XX9  A 501 ( 4.6A)
 0.88A 1ot7A-4oivA:
24.4		 1ot7A-4oivA:
93.81
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.
4r6i ANTHRAX TOXIN
EXPRESSION
TRANS-ACTING
POSITIVE REGULATOR

(Bacillus
anthracis) 		PF00874
(PRD)
PF05043
(Mga)
PF08279
(HTH_11) 		5 PHE A 338
SER A 374
ILE A 373
ILE A 319
TYR A 371
 None
 1.36A 1ot7A-4r6iA:
undetectable		 1ot7A-4r6iA:
20.21
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.
5f7s GLYCOSIDE HYDROLASE
FAMILY 31

(Trueperella
pyogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 PHE A 228
ARG A 247
ILE A 147
PHE A 146
ILE A 139
 None
 1.44A 1ot7A-5f7sA:
undetectable		 1ot7A-5f7sA:
15.11
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.
5lly DIGUANYLATE CYCLASE
(GGDEF)
DOMAIN-CONTAINING
PROTEIN

(Idiomarina sp.
A28L) 		no annotation 5 ARG D 177
ILE D 179
ILE D 269
TYR D 208
TRP D 174
 None
 1.20A 1ot7A-5llyD:
undetectable		 1ot7A-5llyD:
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.
5o8x SOLUBLE LYTIC
TRANSGLYCOSYLASE B

(Pseudomonas
aeruginosa) 		no annotation 5 SER A 101
ILE A 304
ILE A  66
TYR A  61
TRP A  58
 None
 1.36A 1ot7A-5o8xA:
undetectable		 1ot7A-5o8xA:
19.27
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.
5uz5 PROTEIN LUC7
U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN
COMPONENT PRP42

(Saccharomyces
cerevisiae) 		no annotation 5 MET H  71
SER D  21
ILE H  44
TYR H  48
HIS H  76
 None
 1.33A 1ot7A-5uz5H:
undetectable		 1ot7A-5uz5H:
23.53
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.
5xwy A TYPE VI-A
CRISPR-CAS
RNA-GUIDED RNA
RIBONUCLEASE, CAS13A

(Leptotrichia
buccalis) 		no annotation 5 PHE A 616
SER A 619
ILE A 622
PHE A 680
ILE A 658
 None
 1.39A 1ot7A-5xwyA:
undetectable		 1ot7A-5xwyA:
11.29
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.
6b3b APRA
METHYLTRANSFERASE 1

(Moorea
bouillonii) 		no annotation 5 ARG A 417
ILE A 374
PHE A 373
ILE A 406
TYR A 390
 None
 1.36A 1ot7A-6b3bA:
undetectable		 1ot7A-6b3bA:
18.67
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.
6b6l GLYCOSYL HYDROLASE
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 5 MET A 316
ILE A 521
PHE A 303
ILE A 419
TRP A 268
 None
 1.46A 1ot7A-6b6lA:
undetectable		 1ot7A-6b6lA:
15.27
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.
5bq9 UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		PF12252
(SidE) 		4 MET A 409
MET A 500
ALA A 501
HIS A 504
 None
 1.09A 1ot7A-5bq9A:
2.1		 1ot7A-5bq9A:
17.11
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.
5bu1 LPG1496

(Legionella
pneumophila) 		PF12252
(SidE) 		4 MET A 409
MET A 500
ALA A 501
HIS A 504
 None
 1.04A 1ot7A-5bu1A:
0.0		 1ot7A-5bu1A:
23.58
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.
5bu2 LPG1496

(Legionella
pneumophila) 		PF12252
(SidE) 		4 MET A 409
MET A 500
ALA A 501
HIS A 504
 None
None
None
ADP  A 702 (-3.5A)
 1.15A 1ot7A-5bu2A:
2.3		 1ot7A-5bu2A:
20.18
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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 MET A 259
MET A 137
ALA A 136
HIS A 133
 None
None
None
EDO  A 607 ( 4.7A)
 1.09A 1ot7A-5vpuA:
0.0		 1ot7A-5vpuA:
19.63