SIMILAR PATTERNS OF AMINO ACIDS FOR 4JLG_B_SAMB401_0

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.
1iwa RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E LARGE SUBUNIT

(Galdieria
partita) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ILE A 444
ALA A 430
GLU A 425
GLY A 395
HIS A 388
 None
 1.38A 4jlgB-1iwaA:
0.0		 4jlgB-1iwaA:
18.90
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.
1jl5 OUTER PROTEIN YOPM

(Yersinia pestis) 		PF12468
(TTSSLRR) 		5 ILE A1343
GLU A1286
ASN A1263
ASN A1323
TYR A1301
 None
CA  A2001 ( 4.3A)
None
None
None
 1.40A 4jlgB-1jl5A:
0.0		 4jlgB-1jl5A:
20.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mt6 SET9

(Homo sapiens) 		PF00856
(SET)
PF02493
(MORN) 		9 ILE A 223
ALA A 226
GLU A 228
GLY A 264
ASN A 265
LYS A 294
ASN A 296
HIS A 297
TYR A 335
 SAH  A   1 ( 4.5A)
SAH  A   1 (-3.8A)
None
SAH  A   1 ( 4.1A)
SAH  A   1 (-3.6A)
SAH  A   1 (-2.6A)
SAH  A   1 (-3.3A)
None
SAH  A   1 (-4.4A)
 0.44A 4jlgB-1mt6A:
32.4		 4jlgB-1mt6A:
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.
1p31 UDP-N-ACETYLMURAMATE
--ALANINE LIGASE

(Haemophilus
influenzae) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ILE A 308
ALA A 303
GLU A 305
GLY A 120
TYR A 169
 None
 1.38A 4jlgB-1p31A:
undetectable		 4jlgB-1p31A:
20.59
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.
1qr0 4'-PHOSPHOPANTETHEIN
YL TRANSFERASE SFP

(Bacillus
subtilis) 		PF01648
(ACPS) 		5 ILE A 191
ALA A 203
GLU A 151
GLY A  97
LYS A 155
 None
None
COA  A 300 ( 2.7A)
None
COA  A 300 (-2.8A)
 1.32A 4jlgB-1qr0A:
0.0		 4jlgB-1qr0A:
22.91
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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 ALA A 571
GLU A 568
GLY A 342
TRP A 203
GLU A 578
 None
None
PEG  A9001 ( 3.7A)
None
None
 1.31A 4jlgB-1yq2A:
0.0		 4jlgB-1yq2A:
13.27
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.
1za0 POSSIBLE
ACYL-[ACYL-CARRIER
PROTEIN] DESATURASE
DESA2 (ACYL-[ACP]
DESATURASE)
(STEAROYL-ACP
DESATURASE)

(Mycobacterium
tuberculosis) 		PF03405
(FA_desaturase_2) 		5 ILE A 112
ALA A  34
GLY A 180
HIS A 110
TRP A  32
 None
None
None
None
EDO  A 980 (-4.3A)
 1.35A 4jlgB-1za0A:
undetectable		 4jlgB-1za0A:
22.41
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.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		5 ILE A  71
ALA A  70
GLU A 102
GLY A 293
ASN A 154
 GLC  A1769 ( 3.8A)
GLC  A1769 (-3.5A)
None
None
GLC  A1769 (-2.6A)
 1.30A 4jlgB-2cn3A:
0.0		 4jlgB-2cn3A:
16.76
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.
2e4u METABOTROPIC
GLUTAMATE RECEPTOR 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 ILE A 390
ALA A  71
GLU A  78
TYR A 384
GLU A 387
 None
 1.29A 4jlgB-2e4uA:
0.0		 4jlgB-2e4uA:
18.08
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.
2e5a LIPOYLTRANSFERASE 1

(Bos taurus) 		no annotation 5 ALA A 206
GLU A 208
GLY A   5
ASN A 217
HIS A 218
 None
None
None
None
PO4  A4001 ( 4.9A)
 1.17A 4jlgB-2e5aA:
undetectable		 4jlgB-2e5aA:
19.78
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.
2v7s PROBABLE CONSERVED
LIPOPROTEIN LPPA

(Mycobacterium
tuberculosis) 		PF16708
(LppA) 		5 ILE A  76
GLU A  68
GLY A 189
TYR A 149
GLU A 145
 None
 1.28A 4jlgB-2v7sA:
undetectable		 4jlgB-2v7sA:
22.86
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.
2vr5 GLYCOGEN OPERON
PROTEIN GLGX

(Sulfolobus
solfataricus) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 ILE A 563
ALA A 556
ASN A 500
LYS A 484
ASN A 553
 None
 1.25A 4jlgB-2vr5A:
undetectable		 4jlgB-2vr5A:
16.99
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.
2zpb NITRILE HYDRATASE
SUBUNIT BETA

(Rhodococcus
erythropolis) 		PF02211
(NHase_beta) 		5 ILE B 167
ALA B 174
GLU B 176
GLY B 206
HIS B 139
 None
 1.23A 4jlgB-2zpbB:
undetectable		 4jlgB-2zpbB:
22.69
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.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 5 ILE A 410
GLU A  47
GLY A 368
ASN A 367
ASN A 430
 None
 1.34A 4jlgB-3a0fA:
undetectable		 4jlgB-3a0fA:
15.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cbo HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7

(Homo sapiens) 		PF00856
(SET) 		10 ILE A 223
ALA A 226
GLU A 228
GLY A 264
ASN A 265
LYS A 294
ASN A 296
HIS A 297
TYR A 335
TRP A 352
 SAH  A   1 ( 4.3A)
SAH  A   1 (-3.7A)
SAH  A   1 (-4.9A)
SAH  A   1 (-4.0A)
SAH  A   1 (-4.0A)
SAH  A   1 (-2.7A)
SAH  A   1 (-3.3A)
None
SAH  A   1 (-4.9A)
SAH  A   1 (-3.9A)
 0.39A 4jlgB-3cboA:
38.2		 4jlgB-3cboA:
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.
3ll9 ISOPENTENYL
PHOSPHATE KINASE

(Methanothermobacter
thermautotrophicus) 		PF00696
(AA_kinase) 		5 ILE A 240
ALA A 251
GLU A 255
GLY A  34
ASN A  35
 None
 1.42A 4jlgB-3ll9A:
undetectable		 4jlgB-3ll9A:
24.24
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.
3rgw MEMBRANE-BOUND
HYDROGENASE (NIFE)
LARGE SUBUNIT HOXG

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases) 		5 ILE L  98
ALA L 102
GLY L 224
TYR L 232
GLU L  91
 None
 1.16A 4jlgB-3rgwL:
undetectable		 4jlgB-3rgwL:
19.08
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		5 ILE A  92
ALA A 190
GLU A   8
GLY A  12
GLU A  96
 None
 1.31A 4jlgB-3rh9A:
undetectable		 4jlgB-3rh9A:
21.60
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.
3ss6 ACETYL-COA
ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE A   6
ALA A 272
GLU A 389
GLY A 368
HIS A 362
 None
None
None
None
K  A 396 ( 4.9A)
 1.30A 4jlgB-3ss6A:
undetectable		 4jlgB-3ss6A:
21.09
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.
3tw5 TRANSGLUTAMINASE
ELICITOR

(Phytophthora
sojae) 		PF16683
(TGase_elicitor) 		5 ILE A 478
ALA A 365
GLU A 163
GLY A 338
ASN A 165
 None
 1.31A 4jlgB-3tw5A:
undetectable		 4jlgB-3tw5A:
21.54
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.
3zhy 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Mycobacterium
tuberculosis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 ILE A 347
ALA A 334
GLU A 332
GLY A 106
ASN A 330
 None
 1.33A 4jlgB-3zhyA:
undetectable		 4jlgB-3zhyA:
20.10
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.
4c1q HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9

(Mus musculus) 		PF00856
(SET) 		5 ILE A 253
ALA A 256
GLY A 290
ASN A 320
TYR A 357
 SAH  A 394 (-4.1A)
SAH  A 394 (-3.6A)
None
SAH  A 394 (-3.4A)
None
 0.48A 4jlgB-4c1qA:
9.9		 4jlgB-4c1qA:
22.96
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.
4c1t SUGAR TRANSPORTER
SOLUTE-BINDING
PROTEIN

(Bifidobacterium
animalis) 		PF01547
(SBP_bac_1) 		5 ALA A 226
GLU A 412
LYS A 233
ASN A 230
GLU A 307
 None
 1.33A 4jlgB-4c1tA:
undetectable		 4jlgB-4c1tA:
19.00
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.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Yersinia pestis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ILE A 309
ALA A 304
GLU A 306
GLY A 121
TYR A 170
 None
 1.24A 4jlgB-4hv4A:
undetectable		 4jlgB-4hv4A:
20.52
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.
4mnu SLYA-LIKE
TRANSCRIPTION
REGULATOR

(Listeria
monocytogenes) 		PF01047
(MarR) 		5 ILE A 102
GLY A  31
ASN A  20
ASN A 105
GLU A  41
 None
 1.43A 4jlgB-4mnuA:
undetectable		 4jlgB-4mnuA:
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.
4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN

(Bordetella
pertussis) 		PF13458
(Peripla_BP_6) 		5 ILE A 258
ALA A 260
ASN A 309
ASN A 340
TYR A 343
 None
 1.41A 4jlgB-4mptA:
undetectable		 4jlgB-4mptA:
21.94
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.
4n2x DL-2-HALOACID
DEHALOGENASE

(Methylobacterium
sp. CPA1) 		PF10778
(DehI) 		5 ILE A  63
ALA A  68
GLU A 150
ASN A 301
TYR A 115
 None
 1.15A 4jlgB-4n2xA:
undetectable		 4jlgB-4n2xA:
21.10
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.
4qlb PROBABLE GLYCOGEN
[STARCH] SYNTHASE

(Caenorhabditis
elegans) 		PF05693
(Glycogen_syn) 		5 ILE A 125
ALA A  68
GLY A 299
ASN A 298
GLU A 126
 None
 1.18A 4jlgB-4qlbA:
undetectable		 4jlgB-4qlbA:
17.51
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.
4rca SLIT AND NTRK-LIKE
PROTEIN 1

(Homo sapiens) 		PF13855
(LRR_8) 		5 ILE B 118
GLU B  90
ASN B  68
ASN B 116
HIS B  95
 None
 1.34A 4jlgB-4rcaB:
undetectable		 4jlgB-4rcaB:
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.
4wjb PUTATIVE
AMIDOHYDROLASE/PEPTI
DASE

(Burkholderia
cenocepacia) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ILE A 101
ALA A  89
GLU A 133
GLY A  67
ASN A  68
 None
None
ZN  A 501 ( 4.1A)
None
None
 1.42A 4jlgB-4wjbA:
undetectable		 4jlgB-4wjbA:
20.42
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.
4x28 ACYL-COA
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		no annotation 5 ILE D 258
ALA D 248
GLU D 246
GLY D 271
HIS D 327
 FDA  A 501 (-3.5A)
None
None
None
FDA  A 501 (-3.8A)
 1.36A 4jlgB-4x28D:
undetectable		 4jlgB-4x28D:
21.52
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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT A

(Oryctolagus
cuniculus) 		PF01399
(PCI) 		5 ILE A 329
ALA A 325
GLU A 423
LYS A 278
HIS A 297
 None
 1.34A 4jlgB-5a5tA:
undetectable		 4jlgB-5a5tA:
9.44
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.
5aov GLYOXYLATE REDUCTASE

(Pyrococcus
furiosus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ALA A 249
GLU A 256
GLY A 261
ASN A 282
GLU A 268
 None
None
1PE  A1343 ( 3.7A)
None
EDO  A1351 (-4.8A)
 1.46A 4jlgB-5aovA:
undetectable		 4jlgB-5aovA:
21.33
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.
5e3c DIPEPTIDYL PEPTIDASE
3

(Homo sapiens) 		PF03571
(Peptidase_M49) 		5 GLU A 507
GLY A 323
ASN A 394
TYR A 196
GLU A 329
 None
K  A 803 (-3.8A)
None
None
None
 1.34A 4jlgB-5e3cA:
undetectable		 4jlgB-5e3cA:
16.35
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.
5k5a PARB DOMAIN PROTEIN
NUCLEASE

(Sulfolobus
solfataricus) 		PF02195
(ParBc) 		5 ILE B 201
ALA B 171
GLU B 158
ASN B 202
TYR B 226
 None
 1.11A 4jlgB-5k5aB:
undetectable		 4jlgB-5k5aB:
21.34
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.
6gmb HYDROXYACID OXIDASE
1

(Homo sapiens) 		no annotation 5 ILE A 278
ALA A 244
GLU A 283
GLY A 251
LYS A 285
 None
 1.17A 4jlgB-6gmbA:
undetectable		 4jlgB-6gmbA:
undetectable