SIMILAR PATTERNS OF AMINO ACIDS FOR 4JDS_D_SAMD401_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
 1.43A 4jdsD-1iwaA:
0.0		 4jdsD-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
 1.44A 4jdsD-1jl5A:
undetectable		 4jdsD-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)
 0.38A 4jdsD-1mt6A:
32.6		 4jdsD-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.
1oqw FIMBRIAL PROTEIN

(Pseudomonas
aeruginosa) 		PF00114
(Pilin)
PF07963
(N_methyl) 		5 ALA A  50
GLU A  70
GLY A  74
LYS A  58
GLU A  48
 None
 1.44A 4jdsD-1oqwA:
0.9		 4jdsD-1oqwA:
18.22
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.
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
 1.36A 4jdsD-1p31A:
0.0		 4jdsD-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)
 1.34A 4jdsD-1qr0A:
undetectable		 4jdsD-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.
2as0 HYPOTHETICAL PROTEIN
PH1915

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF10672
(Methyltrans_SAM) 		5 ALA A 240
GLU A 212
GLY A 264
ASN A 263
GLU A 242
 None
 1.21A 4jdsD-2as0A:
0.0		 4jdsD-2as0A:
19.45
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.
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)
 1.37A 4jdsD-2cn3A:
0.0		 4jdsD-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
 1.15A 4jdsD-2e4uA:
0.0		 4jdsD-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)
 1.14A 4jdsD-2e5aA:
undetectable		 4jdsD-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.
2fg1 CONSERVED
HYPOTHETICAL PROTEIN
BT1257

(Bacteroides
thetaiotaomicron) 		PF01661
(Macro) 		5 ALA A  49
GLU A  47
ASN A  26
ASN A  78
TRP A  53
 None
 1.16A 4jdsD-2fg1A:
undetectable		 4jdsD-2fg1A:
21.89
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.
2osa N-CHIMAERIN

(Homo sapiens) 		PF00620
(RhoGAP) 		5 ILE A 312
ALA A 342
GLU A 291
GLY A 323
GLU A 313
 None
 1.43A 4jdsD-2osaA:
undetectable		 4jdsD-2osaA:
21.20
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.
2py0 FIMBRIAL PROTEIN

(Pseudomonas
aeruginosa) 		PF00114
(Pilin) 		5 ALA A  50
GLU A  70
GLY A  74
LYS A  58
GLU A  48
 None
 1.36A 4jdsD-2py0A:
undetectable		 4jdsD-2py0A:
22.84
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.
2q09 IMIDAZOLONEPROPIONAS
E

(unidentified) 		PF01979
(Amidohydro_1) 		5 ILE A 140
ALA A 158
GLU A 116
GLY A 206
GLU A 139
 None
 1.36A 4jdsD-2q09A:
undetectable		 4jdsD-2q09A:
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.
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
 1.28A 4jdsD-2vr5A:
undetectable		 4jdsD-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.
2whl BETA-MANNANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		5 ILE A  73
ALA A  83
GLU A  86
GLY A  24
GLU A  77
 None
 1.46A 4jdsD-2whlA:
undetectable		 4jdsD-2whlA:
19.87
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.
2yjq CEL44C

(Paenibacillus
polymyxa) 		PF12891
(Glyco_hydro_44) 		5 GLU A 128
GLY A  63
ASN A  61
HIS A 199
GLU A 201
 None
 1.09A 4jdsD-2yjqA:
undetectable		 4jdsD-2yjqA:
19.80
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)
 0.21A 4jdsD-3cboA:
38.5		 4jdsD-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.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2) 		5 ILE A  20
ALA A 504
GLU A 506
GLY A 208
HIS A 220
 None
 1.38A 4jdsD-3gyxA:
undetectable		 4jdsD-3gyxA:
16.56
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.
3otr ENOLASE

(Toxoplasma
gondii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A 253
GLU A 174
GLY A 169
ASN A 168
TYR A 270
 None
 1.38A 4jdsD-3otrA:
undetectable		 4jdsD-3otrA:
21.91
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.
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
 1.50A 4jdsD-3rgwL:
1.2		 4jdsD-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.
3sm9 METABOTROPIC
GLUTAMATE RECEPTOR 3

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 ILE A 365
ALA A  46
GLU A  53
TYR A 359
GLU A 362
 None
 1.22A 4jdsD-3sm9A:
undetectable		 4jdsD-3sm9A:
20.04
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.
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)
 1.29A 4jdsD-3ss6A:
undetectable		 4jdsD-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.
3sto SERINE PROTEASE
INHIBITOR

(Schistosoma
haematobium) 		PF00079
(Serpin) 		5 GLY A  45
ASN A 190
ASN A  97
TYR A  93
GLU A  95
 None
 1.35A 4jdsD-3stoA:
0.6		 4jdsD-3stoA:
19.16
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
 1.35A 4jdsD-3tw5A:
undetectable		 4jdsD-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
 1.43A 4jdsD-3zhyA:
undetectable		 4jdsD-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.
3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)

(Bacteroides
ovatus) 		PF00150
(Cellulase)
PF13004
(BACON) 		5 ILE A 250
GLY A 164
ASN A 162
ASN A 249
GLU A 253
 None
 1.48A 4jdsD-3zmrA:
undetectable		 4jdsD-3zmrA:
20.83
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.
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
 0.37A 4jdsD-4c1qA:
9.8		 4jdsD-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.
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
 1.44A 4jdsD-4mnuA:
undetectable		 4jdsD-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 4jdsD-4mptA:
undetectable		 4jdsD-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
 1.14A 4jdsD-4n2xA:
undetectable		 4jdsD-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.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV

(Bacteroides
ovatus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 ILE A 280
ALA A 289
GLU A 315
GLY A 363
ASN A 361
 None
 1.32A 4jdsD-4q1vA:
1.7		 4jdsD-4q1vA:
17.46
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.
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)
 1.34A 4jdsD-4x28D:
undetectable		 4jdsD-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
 1.40A 4jdsD-5a5tA:
undetectable		 4jdsD-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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 ILE A 466
ALA A1336
GLU A 991
GLY A 432
ASN A 465
 None
 1.24A 4jdsD-5dotA:
undetectable		 4jdsD-5dotA:
11.16
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.
5e3b MACRODOMAIN PROTEIN

(Streptomyces
coelicolor) 		no annotation 5 ALA A  50
GLU A  48
ASN A  27
ASN A  81
TRP A  54
 None
None
EDO  A1002 ( 4.6A)
None
None
 1.24A 4jdsD-5e3bA:
undetectable		 4jdsD-5e3bA:
21.25
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.
5e76 SUSD-LIKE PROTEIN
BACOVA_02651

(Bacteroides
ovatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ILE A 423
ALA A 421
GLY A 443
TYR A 319
GLU A 320
 None
 1.37A 4jdsD-5e76A:
undetectable		 4jdsD-5e76A:
19.53
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
 1.10A 4jdsD-5k5aB:
undetectable		 4jdsD-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.
5tr9 FERREDOXIN-NADP
REDUCTASE

(Neisseria
gonorrhoeae) 		PF00175
(NAD_binding_1) 		5 ALA A 170
GLY A 199
ASN A 196
ASN A 166
HIS A 155
 None
None
None
None
CL  A 307 (-4.1A)
 1.32A 4jdsD-5tr9A:
undetectable		 4jdsD-5tr9A:
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.
5xzw SERINE/THREONINE-PRO
TEIN KINASE RAD53

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 225
GLU A 202
GLY A 221
ASN A  98
GLU A 274
 None
 1.47A 4jdsD-5xzwA:
undetectable		 4jdsD-5xzwA:
19.46
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.
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
 1.24A 4jdsD-6gmbA:
undetectable		 4jdsD-6gmbA:
undetectable