SIMILAR PATTERNS OF AMINO ACIDS FOR 2VKE_A_TACA222_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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ARG A1546
PRO A1545
VAL A1304
ILE A1316
SER A1310
 None
 1.39A 2vkeA-1e6yA:
1.5		 2vkeA-1e6yA:
18.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		8 HIS A  64
SER A  67
ASN A  82
PHE A  86
HIS A 100
GLN A 116
ILE A 134
SER A 138
 None
None
None
None
IMD  A   1 (-4.0A)
None
None
None
 0.80A 2vkeA-1qpiA:
25.4		 2vkeA-1qpiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		8 HIS A  64
SER A  67
ASN A  82
PHE A  86
VAL A 113
GLN A 116
ILE A 134
SER A 138
 None
 0.69A 2vkeA-1qpiA:
25.4		 2vkeA-1qpiA:
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.
1t6p PHENYLALANINE
AMMONIA-LYASE

(Rhodotorula
toruloides) 		PF00221
(Lyase_aromatic) 		5 HIS A 344
SER A 339
ARG A 366
VAL A 301
ILE A 332
 None
 1.42A 2vkeA-1t6pA:
0.0		 2vkeA-1t6pA:
15.98
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.
1x25 HYPOTHETICAL UPF0076
PROTEIN ST0811

(Sulfurisphaera
tokodaii) 		PF01042
(Ribonuc_L-PSP) 		5 SER A  67
ARG A 102
PRO A 100
VAL A  71
ILE A  57
 None
 1.32A 2vkeA-1x25A:
undetectable		 2vkeA-1x25A:
21.23
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.
3j2j PROTEIN VP1
PROTEIN VP2
PROTEIN VP3

(Enterovirus B) 		PF00073
(Rhv) 		5 HIS C 207
PRO C 119
VAL A 187
ILE B  36
SER C 198
 None
 1.48A 2vkeA-3j2jC:
undetectable		 2vkeA-3j2jC:
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ASN A1159
ARG A1180
VAL A1147
GLN A1158
SER A1106
 None
GOL  A1908 (-3.4A)
None
None
None
 1.31A 2vkeA-3va7A:
0.0		 2vkeA-3va7A:
10.04
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.
3wib HALOALKANE
DEHALOGENASE

(Agrobacterium
fabrum) 		PF00561
(Abhydrolase_1) 		5 HIS A 274
PHE A 247
PRO A 212
VAL A 134
ILE A 253
 NHE  A 401 (-3.4A)
NHE  A 401 (-3.7A)
None
None
None
 1.48A 2vkeA-3wibA:
0.0		 2vkeA-3wibA:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ac0 TETRACYCLINE
REPRESSOR PROTEIN
CLASS B FROM
TRANSPOSON TN1 0

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		6 HIS A  64
ASN A  82
PHE A  86
HIS A 100
PRO A 105
GLN A 116
 MIY  A1204 (-3.8A)
MIY  A1204 (-3.0A)
MIY  A1204 (-3.5A)
MG  A1205 ( 3.2A)
MIY  A1204 (-4.4A)
MIY  A1204 (-2.8A)
 0.38A 2vkeA-4ac0A:
26.2		 2vkeA-4ac0A:
65.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ac0 TETRACYCLINE
REPRESSOR PROTEIN
CLASS B FROM
TRANSPOSON TN1 0

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		5 HIS A  64
PHE A  86
HIS A 100
ARG A 104
PRO A 105
 MIY  A1204 (-3.8A)
MIY  A1204 (-3.5A)
MG  A1205 ( 3.2A)
MIY  A1204 (-4.2A)
MIY  A1204 (-4.4A)
 0.94A 2vkeA-4ac0A:
26.2		 2vkeA-4ac0A:
65.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d5c TETRACYCLINE
REPRESSOR PROTEIN
TETR

(Proteus
mirabilis) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		7 HIS A  64
ASN A  82
PHE A  86
HIS A 100
ARG A 104
PRO A 105
GLN A 116
 None
 0.74A 2vkeA-4d5cA:
26.4		 2vkeA-4d5cA:
59.81
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.
4nx1 C4-DICARBOXYLATE
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF03480
(DctP) 		5 HIS A 235
PRO A 191
VAL A 174
GLN A 180
ILE A 179
 None
 1.46A 2vkeA-4nx1A:
0.0		 2vkeA-4nx1A:
22.66
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.
4nx9 FLAGELLIN

(Pseudomonas
aeruginosa) 		PF00669
(Flagellin_N)
PF00700
(Flagellin_C) 		5 SER A 150
ARG A 323
VAL A 148
GLN A 147
ILE A 155
 None
 1.32A 2vkeA-4nx9A:
0.8		 2vkeA-4nx9A:
21.38
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.
5f4z EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		5 SER A 181
HIS A  97
PRO A 135
VAL A 153
ILE A 307
 None
 1.43A 2vkeA-5f4zA:
0.0		 2vkeA-5f4zA:
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.
5jjt SERINE/THREONINE-PRO
TEIN PHOSPHATASE 5

(Arabidopsis
thaliana) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5)
PF13431
(TPR_17) 		5 SER A 292
ASN A 296
HIS A 230
ILE A 269
SER A 265
 None
None
NI  A 502 (-3.8A)
None
None
 1.48A 2vkeA-5jjtA:
0.7		 2vkeA-5jjtA:
18.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 5 HIS A  64
SER A  67
ASN A  82
HIS A 100
ILE A 137
 TDC  A 301 (-3.8A)
TDC  A 301 (-3.3A)
TDC  A 301 (-3.2A)
MG  A 302 ( 3.2A)
TDC  A 301 ( 4.5A)
 1.32A 2vkeA-5mruA:
24.0		 2vkeA-5mruA:
47.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 8 HIS A  64
SER A  67
ASN A  82
PHE A  86
HIS A 100
ARG A 104
PRO A 105
GLN A 116
 TDC  A 301 (-3.8A)
TDC  A 301 (-3.3A)
TDC  A 301 (-3.2A)
TDC  A 301 (-3.3A)
MG  A 302 ( 3.2A)
TDC  A 301 (-4.0A)
TDC  A 301 (-4.5A)
TDC  A 301 (-2.8A)
 0.65A 2vkeA-5mruA:
24.0		 2vkeA-5mruA:
47.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 8 HIS A  64
SER A  67
ASN A  82
PHE A  86
HIS A 100
PRO A 105
GLN A 116
SER A 138
 TDC  A 301 (-3.8A)
TDC  A 301 (-3.3A)
TDC  A 301 (-3.2A)
TDC  A 301 (-3.3A)
MG  A 302 ( 3.2A)
TDC  A 301 (-4.5A)
TDC  A 301 (-2.8A)
TDC  A 301 ( 3.7A)
 0.70A 2vkeA-5mruA:
24.0		 2vkeA-5mruA:
47.57
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.
5odo ISOMERASE

(Rhodococcus
erythropolis) 		no annotation 5 HIS A 401
HIS A 399
ARG A  76
ILE A 233
SER A 225
 None
None
FMT  A 607 (-3.6A)
None
None
 1.22A 2vkeA-5odoA:
0.0		 2vkeA-5odoA:
17.42