SIMILAR PATTERNS OF AMINO ACIDS FOR 3L2U_A_ELVA397_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.
1d8c MALATE SYNTHASE G

(Escherichia
coli) 		PF01274
(Malate_synthase) 		4 ASP A 455
ASP A 273
PRO A 391
GLU A 427
 MG  A3001 ( 3.0A)
MG  A3001 ( 4.9A)
None
MG  A3001 ( 2.6A)
 1.46A 3l2uA-1d8cA:
0.0		 3l2uA-1d8cA:
20.82
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.
1ia7 CELLULASE CEL9M

([Clostridium]
cellulolyticum) 		PF00759
(Glyco_hydro_9) 		4 ASP A 250
ASP A 258
TYR A  69
PRO A 262
 None
EDO  A1337 (-4.4A)
None
None
 1.45A 3l2uA-1ia7A:
undetectable		 3l2uA-1ia7A:
20.73
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.
1lq2 BETA-D-GLUCAN
GLUCOHYDROLASE
ISOENZYME EXO1

(Hordeum vulgare) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		4 ASP A 290
TYR A 321
PRO A 318
GLU A 287
 None
 1.35A 3l2uA-1lq2A:
undetectable		 3l2uA-1lq2A:
21.93
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		4 ASP A 490
ASP A 546
TYR A 494
GLU A 550
 None
 1.26A 3l2uA-1ulvA:
undetectable		 3l2uA-1ulvA:
16.75
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.
3cux MALATE SYNTHASE

(Bacillus
anthracis) 		PF01274
(Malate_synthase) 		4 ASP A 275
ASP A 117
PRO A 211
GLU A 247
 MG  A   1 (-3.3A)
MG  A   1 ( 4.7A)
None
MG  A   1 (-2.6A)
 1.31A 3l2uA-3cuxA:
0.0		 3l2uA-3cuxA:
20.11
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.
3f2k HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF01359
(Transposase_1) 		4 ASP A  38
ASP A 130
TYR A 157
PRO A 159
 MG  A 227 (-2.6A)
MG  A 227 (-2.5A)
None
None
 0.59A 3l2uA-3f2kA:
10.3		 3l2uA-3f2kA:
20.30
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.
3i4q APC40078

(Oleispira
antarctica) 		PF00719
(Pyrophosphatase) 		4 ASP A 103
ASP A  71
TYR A  58
GLU A 104
 NA  A 176 (-2.8A)
NA  A 176 (-3.0A)
None
None
 1.28A 3l2uA-3i4qA:
undetectable		 3l2uA-3i4qA:
17.89
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.
3k70 EXODEOXYRIBONUCLEASE
V BETA CHAIN

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		4 ASP B 359
TYR B 394
PRO B 391
GLU B 204
 None
 1.35A 3l2uA-3k70B:
0.7		 3l2uA-3k70B:
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.
3m1r FORMIMIDOYLGLUTAMASE

(Bacillus
subtilis) 		PF00491
(Arginase) 		4 ASP A 242
ASP A 244
PRO A 255
GLU A 287
 CA  A 322 ( 2.9A)
CA  A 322 (-2.1A)
None
CL  A 320 ( 4.5A)
 1.24A 3l2uA-3m1rA:
0.0		 3l2uA-3m1rA:
21.22
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.
3ml0 PENICILLIN G
ACYLASE, ALPHA
SUBUNIT
PENICILLIN G
ACYLASE, BETA
SUBUNIT

(Alcaligenes
faecalis) 		PF01804
(Penicil_amidase) 		4 ASP B  76
ASP B  73
TYR B 254
GLU A 153
 CA  B 552 (-3.4A)
CA  B 552 (-2.7A)
None
CA  B 552 (-3.2A)
 1.37A 3l2uA-3ml0B:
undetectable		 3l2uA-3ml0B:
20.48
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.
3oqq PUTATIVE LIPOPROTEIN

(Bacteroides
ovatus) 		PF16129
(DUF4841)
PF16130
(DUF4842) 		4 ASP A 167
ASP A 170
TYR A 210
GLU A 418
 CA  A 457 ( 2.3A)
CA  A 458 ( 2.3A)
None
CA  A 457 (-2.2A)
 1.37A 3l2uA-3oqqA:
undetectable		 3l2uA-3oqqA:
23.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oyn PFV INTEGRASE

(Simian foamy
virus) 		PF00665
(rve) 		5 ASP A 128
ASP A 185
TYR A 212
PRO A 214
GLU A 221
 MG  A 396 (-2.6A)
MG  A 396 ( 2.7A)
ZZX  A 398 ( 4.0A)
ZZX  A 398 (-4.1A)
MG  A 397 ( 1.8A)
 0.48A 3l2uA-3oynA:
43.4		 3l2uA-3oynA:
99.75
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.
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00753
(Lactamase_B) 		4 ASP A 147
ASP A 148
TYR A 121
PRO A 105
 None
 1.20A 3l2uA-4ad9A:
undetectable		 3l2uA-4ad9A:
20.96
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.
4hpk COLLAGENASE

(Hathewaya
histolytica) 		PF04151
(PPC) 		4 ASP A 927
ASP A 904
TYR A 931
GLU A 901
 CA  A1101 ( 2.8A)
CA  A1101 (-3.2A)
None
CA  A1101 ( 2.2A)
 1.28A 3l2uA-4hpkA:
undetectable		 3l2uA-4hpkA:
13.58
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.
4l9z MALYL-COA LYASE

(Rhodobacter
sphaeroides) 		PF03328
(HpcH_HpaI) 		4 ASP A 168
ASP A  45
PRO A 106
GLU A 141
 MG  A 403 ( 3.0A)
MG  A 403 ( 4.8A)
None
MG  A 403 ( 2.6A)
 1.37A 3l2uA-4l9zA:
undetectable		 3l2uA-4l9zA:
21.05
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.
4mda MARINER MOS1
TRANSPOSASE

(Drosophila
mauritiana) 		PF01359
(Transposase_1) 		4 ASP A 156
ASP A 249
TYR A 276
PRO A 278
 MN  A 401 (-2.6A)
MN  A 401 ( 2.7A)
RLT  A 403 (-3.6A)
RLT  A 403 ( 4.9A)
 0.73A 3l2uA-4mdaA:
9.6		 3l2uA-4mdaA:
19.54
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.
4py6 BROMODOMAIN PROTEIN,
PUTATIVE

(Plasmodium
falciparum) 		PF00439
(Bromodomain) 		4 ASP A1262
TYR A1264
PRO A1260
GLU A1259
 None
 1.50A 3l2uA-4py6A:
undetectable		 3l2uA-4py6A:
16.46
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.
4qiw DNA-DIRECTED RNA
POLYMERASE
DNA-DIRECTED RNA
POLYMERASE SUBUNIT P

(Thermococcus
kodakarensis) 		PF00562
(RNA_pol_Rpb2_6)
PF03604
(DNA_RNApol_7kD)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 ASP B 852
TYR P  36
PRO B 802
GLU B 803
 None
 1.16A 3l2uA-4qiwB:
undetectable		 3l2uA-4qiwB:
17.61
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.
4roq MALYL-COA
LYASE/BETA-METHYLMAL
YL-COA LYASE

(Methylobacterium
extorquens) 		PF03328
(HpcH_HpaI) 		4 ASP A 167
ASP A  45
PRO A 105
GLU A 140
 MG  A 401 ( 3.1A)
MG  A 401 (-2.6A)
None
MG  A 401 (-2.5A)
 1.28A 3l2uA-4roqA:
undetectable		 3l2uA-4roqA:
22.83
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.
4xat NOELIN

(Homo sapiens) 		PF02191
(OLF) 		4 ASP A 356
ASP A 453
TYR A 454
GLU A 404
 CA  A 501 ( 2.7A)
NA  A 504 ( 2.8A)
None
CA  A 501 (-2.9A)
 1.39A 3l2uA-4xatA:
undetectable		 3l2uA-4xatA:
20.85
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.
5cr4 SLEEPING BEAUTY
TRANSPOSASE, SB100X

(synthetic
construct) 		PF01498
(HTH_Tnp_Tc3_2)
PF13358
(DDE_3) 		4 ASP A  43
ASP A 134
PRO A 163
GLU A 169
 GOL  A 317 (-4.2A)
SO4  A 309 ( 3.9A)
GOL  A 317 (-3.8A)
GOL  A 317 (-4.0A)
 0.73A 3l2uA-5cr4A:
11.2		 3l2uA-5cr4A:
21.72
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.
5oas MALATE SYNTHASE G

(Pseudomonas
aeruginosa) 		no annotation 4 ASP A 460
ASP A 275
PRO A 396
GLU A 432
 EDO  A 808 ( 3.8A)
MG  A 820 ( 4.1A)
MG  A 820 (-4.7A)
MG  A 820 ( 2.7A)
 1.40A 3l2uA-5oasA:
0.8		 3l2uA-5oasA:
20.11
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.
5u1c HIV-1 INTEGRASE,
SSO7D CHIMERA

(Human
immunodeficiency
virus 1;
Sulfolobus
solfataricus) 		PF00552
(IN_DBD_C)
PF00665
(rve)
PF02022
(Integrase_Zn) 		4 ASP A  64
ASP A 116
TYR A 143
PRO A 145
 MG  A 501 (-1.8A)
MG  A 501 (-2.8A)
None
None
 0.51A 3l2uA-5u1cA:
12.2		 3l2uA-5u1cA:
22.99
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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 4 ASP A 430
ASP A 427
TYR A 336
GLU A 432
 None
 1.47A 3l2uA-6frvA:
undetectable		 3l2uA-6frvA:
12.81