SIMILAR PATTERNS OF AMINO ACIDS FOR 3L2W_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.
1bj8 GP130

(Homo sapiens) 		PF00041
(fn3) 		4 ASP A  60
TYR A  41
PRO A  58
GLU A  59
 None
 1.46A 3l2wA-1bj8A:
undetectable		 3l2wA-1bj8A:
15.64
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.
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)
 1.45A 3l2wA-1d8cA:
0.0		 3l2wA-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
 1.47A 3l2wA-1ia7A:
undetectable		 3l2wA-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
 1.36A 3l2wA-1lq2A:
undetectable		 3l2wA-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.
1n4d VITAMIN B12
TRANSPORT PROTEIN
BTUF

(Escherichia
coli) 		PF01497
(Peripla_BP_2) 		4 ASP A  30
TYR A  28
PRO A   9
GLU A  13
 None
 1.23A 3l2wA-1n4dA:
1.2		 3l2wA-1n4dA:
22.44
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.
1u0k GENE PRODUCT PA4716

(Pseudomonas
aeruginosa) 		PF02567
(PhzC-PhzF) 		4 ASP A 201
ASP A 199
TYR A 196
PRO A 168
 None
 1.36A 3l2wA-1u0kA:
0.2		 3l2wA-1u0kA:
20.84
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.
1wii HYPOTHETICAL UPF0222
PROTEIN MGC4549

(Mus musculus) 		PF05129
(Elf1) 		4 ASP A  69
TYR A  71
PRO A  67
GLU A  66
 None
 1.05A 3l2wA-1wiiA:
undetectable		 3l2wA-1wiiA:
13.31
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.
2gq3 MALATE SYNTHASE G

(Mycobacterium
tuberculosis) 		PF01274
(Malate_synthase) 		4 ASP A 462
ASP A 274
PRO A 398
GLU A 434
 MG  A1000 ( 2.9A)
MG  A1000 ( 4.9A)
None
MG  A1000 ( 2.7A)
 1.40A 3l2wA-2gq3A:
0.0		 3l2wA-2gq3A:
19.48
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.
3bu7 GENTISATE
1,2-DIOXYGENASE

(Ruegeria
pomeroyi) 		PF07883
(Cupin_2) 		4 ASP A 150
TYR A 233
PRO A 237
GLU A 236
 None
 1.48A 3l2wA-3bu7A:
undetectable		 3l2wA-3bu7A:
21.48
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.
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)
 1.30A 3l2wA-3cuxA:
undetectable		 3l2wA-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 3l2wA-3f2kA:
10.3		 3l2wA-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
 1.23A 3l2wA-3i4qA:
undetectable		 3l2wA-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.
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)
 1.29A 3l2wA-3m1rA:
1.2		 3l2wA-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)
 1.39A 3l2wA-3ml0B:
undetectable		 3l2wA-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)
 1.42A 3l2wA-3oqqA:
undetectable		 3l2wA-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)
 0.46A 3l2wA-3oynA:
43.4		 3l2wA-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
 1.17A 3l2wA-4ad9A:
0.9		 3l2wA-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)
 1.27A 3l2wA-4hpkA:
undetectable		 3l2wA-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)
 1.36A 3l2wA-4l9zA:
undetectable		 3l2wA-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)
 0.75A 3l2wA-4mdaA:
9.6		 3l2wA-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.
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 3l2wA-4qiwB:
undetectable		 3l2wA-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)
 1.30A 3l2wA-4roqA:
undetectable		 3l2wA-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)
 1.36A 3l2wA-4xatA:
undetectable		 3l2wA-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.
4z26 PUTATIVE GMC-TYPE
OXIDOREDUCTASE R135

(Acanthamoeba
polyphaga
mimivirus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ASP A 576
ASP A 432
TYR A 399
PRO A 343
 None
 1.40A 3l2wA-4z26A:
undetectable		 3l2wA-4z26A:
21.76
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.
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)
 0.66A 3l2wA-5cr4A:
8.4		 3l2wA-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.
5iry DESMOCOLLIN-1

(Homo sapiens) 		PF00028
(Cadherin) 		4 ASP A 103
ASP A  67
TYR A  71
GLU A  11
 CA  A 614 ( 2.9A)
CA  A 605 (-2.2A)
None
CA  A 614 ( 3.1A)
 1.29A 3l2wA-5iryA:
undetectable		 3l2wA-5iryA:
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.
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)
 1.39A 3l2wA-5oasA:
0.8		 3l2wA-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
 0.56A 3l2wA-5u1cA:
17.9		 3l2wA-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.
5vxc CITRATE LYASE
SUBUNIT BETA-LIKE
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 4 ASP A 206
ASP A  76
PRO A 136
GLU A 171
 MG  A 402 (-3.1A)
None
None
MG  A 402 (-2.6A)
 1.38A 3l2wA-5vxcA:
undetectable		 3l2wA-5vxcA:
20.45
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.
5w4t CADHERIN 23

(Danio rerio) 		no annotation 4 ASP C 135
ASP C  99
TYR C  18
GLU C  71
 CA  C 403 ( 3.1A)
CA  C 403 (-3.0A)
None
CA  C 403 ( 2.4A)
 1.45A 3l2wA-5w4tC:
undetectable		 3l2wA-5w4tC:
10.89
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.
5xxo PERIPLASMIC
BETA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 ASP A 641
TYR A 646
PRO A 644
GLU A 643
 None
 1.46A 3l2wA-5xxoA:
undetectable		 3l2wA-5xxoA:
14.03
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.
6axe MALATE SYNTHASE G

(Mycobacterium
marinum) 		PF01274
(Malate_synthase) 		4 ASP A 466
ASP A 274
PRO A 402
GLU A 438
 MG  A 802 (-3.2A)
MG  A 802 ( 4.5A)
None
MG  A 802 (-2.7A)
 1.42A 3l2wA-6axeA:
undetectable		 3l2wA-6axeA:
19.62
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.
6bbp CYTOHESIN-3,ADP-RIBO
SYLATION FACTOR 6

(Homo sapiens;
Mus musculus) 		no annotation 4 ASP A 301
TYR A 295
PRO A 304
GLU A 303
 None
4IP  A 603 (-4.5A)
None
None
 1.47A 3l2wA-6bbpA:
0.6		 3l2wA-6bbpA:
12.43