SIMILAR PATTERNS OF AMINO ACIDS FOR 2A5H_D_SAMD417

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.
1f0x D-LACTATE
DEHYDROGENASE

(Escherichia
coli) 		PF01565
(FAD_binding_4)
PF09330
(Lact-deh-memb) 		5 HIS A 489
HIS A 496
GLN A 497
VAL A 494
CYH A 492
 FAD  A 600 ( 4.6A)
None
None
None
None
 1.30A 2a5hD-1f0xA:
0.0		 2a5hD-1f0xA:
20.38
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.
1fbt FRUCTOSE-2,6-BISPHOS
PHATASE

(Rattus
norvegicus) 		PF00300
(His_Phos_1) 		5 THR A  61
GLN A  71
VAL A  50
TYR A  69
LEU A  36
 None
 1.44A 2a5hD-1fbtA:
undetectable		 2a5hD-1fbtA:
17.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a5h L-LYSINE
2,3-AMINOMUTASE

(Clostridium
subterminale) 		PF04055
(Radical_SAM)
PF12544
(LAM_C) 		12 HIS A 131
THR A 133
ARG A 134
SER A 169
ARG A 202
HIS A 230
GLN A 258
VAL A 260
TYR A 290
CYH A 292
ASP A 293
LEU A 298
 SAM  A 417 (-4.6A)
SAM  A 417 (-3.6A)
LYS  A 420 ( 2.3A)
LYS  A 420 ( 2.9A)
None
SAM  A 417 ( 3.6A)
LYS  A 420 (-3.9A)
SAM  A 417 (-4.5A)
LYS  A 420 ( 3.9A)
SAM  A 417 (-3.6A)
LYS  A 420 ( 3.2A)
SAM  A 417 (-4.8A)
 0.14A 2a5hD-2a5hA:
63.5		 2a5hD-2a5hA:
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.
2puz IMIDAZOLONEPROPIONAS
E

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		5 HIS A  86
THR A 330
HIS A  88
CYH A  85
ASP A  84
 FE  A 500 (-3.3A)
None
FE  A 500 (-3.3A)
None
None
 1.17A 2a5hD-2puzA:
4.3		 2a5hD-2puzA:
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.
2xhg TYROCIDINE
SYNTHETASE A

(Brevibacillus
brevis) 		PF00668
(Condensation) 		5 HIS A  65
ARG A 300
GLN A  10
ASP A  66
LEU A  68
 None
None
None
GOL  A1464 (-3.9A)
None
 1.36A 2a5hD-2xhgA:
undetectable		 2a5hD-2xhgA:
22.76
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.
2yp2 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 THR A 451
ARG A 450
SER A 369
ARG A 482
LEU A 455
 None
 1.49A 2a5hD-2yp2A:
undetectable		 2a5hD-2yp2A:
21.06
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.
3b1e BETAC-S LYASE

(Streptococcus
anginosus) 		PF00155
(Aminotran_1_2) 		5 HIS A 170
VAL A 118
TYR A 119
ASP A 199
LEU A 166
 None
None
0JO  A 401 ( 3.7A)
0JO  A 401 (-2.8A)
None
 1.24A 2a5hD-3b1eA:
2.0		 2a5hD-3b1eA:
20.65
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.
3hdn SERINE/THREONINE-PRO
TEIN KINASE SGK1

(Homo sapiens) 		PF00069
(Pkinase) 		5 HIS A 214
THR A 277
ARG A 339
VAL A 219
ASP A 275
 None
 1.39A 2a5hD-3hdnA:
0.0		 2a5hD-3hdnA:
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.
3l8a PUTATIVE
AMINOTRANSFERASE,
PROBABLE
BETA-CYSTATHIONASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		5 HIS A 170
VAL A 118
TYR A 119
ASP A 199
LEU A 166
 None
None
PLP  A 388 (-3.5A)
PLP  A 388 (-2.8A)
None
 1.16A 2a5hD-3l8aA:
1.1		 2a5hD-3l8aA:
20.91
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.
3pgb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aspergillus
nidulans) 		PF01179
(Cu_amine_oxid)
PF09248
(DUF1965) 		5 HIS A 552
GLN A 529
TYR A 421
ASP A 423
LEU A 556
 CU  A 901 (-3.2A)
TPQ  A 504 ( 4.6A)
TPQ  A 504 ( 3.8A)
TPQ  A 504 ( 4.3A)
None
 1.26A 2a5hD-3pgbA:
undetectable		 2a5hD-3pgbA:
19.50
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.
3pgb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aspergillus
nidulans) 		PF01179
(Cu_amine_oxid)
PF09248
(DUF1965) 		5 HIS A 554
HIS A 552
GLN A 529
TYR A 421
LEU A 556
 CU  A 901 (-3.2A)
CU  A 901 (-3.2A)
TPQ  A 504 ( 4.6A)
TPQ  A 504 ( 3.8A)
None
 1.47A 2a5hD-3pgbA:
undetectable		 2a5hD-3pgbA:
19.50
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.
3tsm INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Brucella
abortus) 		PF00218
(IGPS) 		5 HIS A 228
THR A 227
CYH A 231
ASP A 230
LEU A 261
 None
 1.43A 2a5hD-3tsmA:
3.3		 2a5hD-3tsmA:
22.01
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.
4dq6 PUTATIVE PYRIDOXAL
PHOSPHATE-DEPENDENT
TRANSFERASE

(Clostridioides
difficile) 		PF00155
(Aminotran_1_2) 		5 HIS A 171
VAL A 120
TYR A 121
ASP A 200
LEU A 167
 None
None
PLP  A 401 (-3.5A)
PLP  A 401 (-2.8A)
None
 1.22A 2a5hD-4dq6A:
undetectable		 2a5hD-4dq6A:
21.35
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.
4ex5 LYSINE--TRNA LIGASE

(Burkholderia
thailandensis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 THR A 179
ARG A 186
TYR A 166
ASP A 172
LEU A 173
 None
 1.43A 2a5hD-4ex5A:
undetectable		 2a5hD-4ex5A:
23.24
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.
4p5e 2'-DEOXYNUCLEOSIDE
5'-PHOSPHATE
N-HYDROLASE 1

(Homo sapiens) 		PF05014
(Nuc_deoxyrib_tr) 		5 ARG A 120
SER A 123
GLN A  96
VAL A 101
CYH A  26
 None
None
None
N6P  A 201 ( 4.6A)
N6P  A 201 (-4.8A)
 1.40A 2a5hD-4p5eA:
1.8		 2a5hD-4p5eA:
15.99
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.
5m6p TYROCIDINE SYNTHASE
2

(Brevibacillus
parabrevis) 		no annotation 5 HIS A3174
ARG A3409
GLN A3119
ASP A3175
LEU A3177
 None
 1.30A 2a5hD-5m6pA:
undetectable		 2a5hD-5m6pA:
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.
5w75 ELONGATION FACTOR TU

(Thermotoga
neapolitana) 		no annotation 5 HIS A 119
THR A 116
ARG A 117
HIS A  85
LEU A 104
 None
 1.31A 2a5hD-5w75A:
2.7		 2a5hD-5w75A:
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.
5zq6 SIDE

(Legionella
pneumophila) 		no annotation 5 HIS A 403
THR A 282
ARG A 281
HIS A 274
VAL A 331
 ADP  A1101 (-4.0A)
None
None
ADP  A1101 (-4.5A)
None
 1.42A 2a5hD-5zq6A:
undetectable		 2a5hD-5zq6A:
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.
6egt GLYCOPROTEIN

(Rift Valley
fever
phlebovirus) 		no annotation 5 HIS A 857
THR A 860
GLN A1000
ASP A 874
LEU A 875
 None
 1.40A 2a5hD-6egtA:
undetectable		 2a5hD-6egtA:
20.51
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.
6g0c UBIQUITINATING/DEUBI
QUITINATING ENZYME
SDEA

(Legionella
pneumophila) 		no annotation 5 HIS A 407
THR A 285
ARG A 284
HIS A 277
VAL A 334
 None
 1.41A 2a5hD-6g0cA:
undetectable		 2a5hD-6g0cA:
undetectable