SIMILAR PATTERNS OF AMINO ACIDS FOR 3Q5R_A_KANA2002

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bow MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR BMRR

(Bacillus
subtilis) 		PF06445
(GyrI-like) 		7 PRO A  25
ILE A  63
TYR A  68
PHE A 105
TYR A 110
GLU A 134
ILE A 136
 None
 0.79A 3q5rA-1bowA:
20.9		 3q5rA-1bowA:
66.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bow MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR BMRR

(Bacillus
subtilis) 		PF06445
(GyrI-like) 		5 PRO A  25
VAL A  28
TYR A  68
GLU A 134
ILE A 136
 None
 1.27A 3q5rA-1bowA:
20.9		 3q5rA-1bowA:
66.53
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.
1cg2 CARBOXYPEPTIDASE G2

(Pseudomonas sp.
RS-16) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 PRO A 137
ASN A 146
ILE A 121
TYR A 117
GLU A 390
 None
 1.24A 3q5rA-1cg2A:
0.0		 3q5rA-1cg2A:
21.30
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.
1ygu LEUKOCYTE COMMON
ANTIGEN

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ASN A 947
TYR A 992
ILE A1142
PHE A1021
ILE A 993
 None
 1.40A 3q5rA-1yguA:
0.0		 3q5rA-1yguA:
18.31
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.
2g7g RHA04620, PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF02909
(TetR_C) 		5 VAL A 106
ILE A  66
TYR A 115
TYR A  87
GLU A 140
 None
 1.27A 3q5rA-2g7gA:
0.0		 3q5rA-2g7gA:
21.18
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.
2hjg GTP-BINDING PROTEIN
ENGA

(Bacillus
subtilis) 		PF01926
(MMR_HSR1)
PF14714
(KH_dom-like) 		5 PRO A 341
ILE A 344
PHE A 218
TYR A 220
GLU A 198
 None
 1.37A 3q5rA-2hjgA:
0.1		 3q5rA-2hjgA:
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.
2hz7 GLUTAMINYL-TRNA
SYNTHETASE

(Deinococcus
radiodurans) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		5 VAL A  47
TYR A  98
ILE A 354
PHE A 299
ILE A  52
 None
 1.48A 3q5rA-2hz7A:
0.0		 3q5rA-2hz7A:
15.85
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.
2i54 PHOSPHOMANNOMUTASE

(Leishmania
mexicana) 		PF03332
(PMM) 		5 PRO A 130
VAL A 128
TYR A 171
ILE A 111
ILE A 157
 None
 1.47A 3q5rA-2i54A:
0.0		 3q5rA-2i54A:
20.27
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.
2qmi PBP RELATED
BETA-LACTAMASE

(Pyrococcus
abyssi) 		PF00144
(Beta-lactamase)
PF13969
(Pab87_oct) 		5 PRO A 317
ILE A 252
TYR A 315
GLU A 268
ILE A 290
 None
 1.37A 3q5rA-2qmiA:
0.0		 3q5rA-2qmiA:
21.65
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.
3e15 GLUCOSE-6-PHOSPHATE
1-DEHYDROGENASE

(Plasmodium
vivax) 		PF01182
(Glucosamine_iso) 		5 PRO A  64
TYR A  37
ILE A  65
TYR A  68
ILE A  38
 None
 1.35A 3q5rA-3e15A:
0.0		 3q5rA-3e15A:
21.02
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.
3f9r PHOSPHOMANNOMUTASE

(Trypanosoma
brucei) 		PF03332
(PMM) 		5 PRO A 130
VAL A 128
TYR A 171
ILE A 111
ILE A 157
 None
 1.48A 3q5rA-3f9rA:
undetectable		 3q5rA-3f9rA:
21.90
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.
3hdn SERINE/THREONINE-PRO
TEIN KINASE SGK1

(Homo sapiens) 		PF00069
(Pkinase) 		5 TYR A 292
ILE A 228
TYR A 263
PHE A 194
GLU A 289
 None
 1.41A 3q5rA-3hdnA:
undetectable		 3q5rA-3hdnA:
22.25
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.
3i6r DIHYDROOROTATE
DEHYDROGENASE
HOMOLOG,
MITOCHONDRIAL

(Plasmodium
falciparum) 		PF01180
(DHO_dh) 		5 ILE A 307
PHE A 427
TYR A 338
GLU A 246
ILE A 455
 None
 1.19A 3q5rA-3i6rA:
undetectable		 3q5rA-3i6rA:
22.70
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.
3i6y ESTERASE APC40077

(Oleispira
antarctica) 		PF00756
(Esterase) 		5 PRO A 129
ASN A 108
ILE A 132
TYR A  50
ILE A 157
 None
 1.37A 3q5rA-3i6yA:
undetectable		 3q5rA-3i6yA:
24.05
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.
3ls2 S-FORMYLGLUTATHIONE
HYDROLASE

(Pseudoalteromonas
haloplanktis) 		PF00756
(Esterase) 		5 PRO A 128
ASN A 107
ILE A 131
TYR A  49
ILE A 156
 None
 1.38A 3q5rA-3ls2A:
undetectable		 3q5rA-3ls2A:
21.47
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.
3opu SPAP

(Streptococcus
mutans) 		PF16364
(Antigen_C) 		5 PRO A1342
ASN A1347
TYR A1456
GLU A1454
ILE A1364
 None
 1.42A 3q5rA-3opuA:
undetectable		 3q5rA-3opuA:
20.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q5p MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR

(Bacillus
subtilis) 		PF06445
(GyrI-like)
PF13411
(MerR_1) 		11 PRO A 144
VAL A 147
ASN A 149
TYR A 152
TYR A 170
ILE A 182
TYR A 187
PHE A 224
TYR A 229
GLU A 253
ILE A 255
 TAC  A7101 (-3.9A)
TAC  A7101 (-4.1A)
TAC  A7101 (-3.1A)
TAC  A7101 (-4.8A)
TAC  A7101 ( 3.9A)
None
None
TAC  A7101 (-4.0A)
TAC  A7101 (-3.8A)
TAC  A7101 (-4.2A)
TAC  A7101 (-4.2A)
 0.30A 3q5rA-3q5pA:
31.7		 3q5rA-3q5pA:
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.
3qef BETA-XYLOSIDASE/ALPH
A-L-ARABINFURANOSIDA
SE, GLY43N

(Cellvibrio
japonicus) 		PF04616
(Glyco_hydro_43) 		5 VAL A 219
TYR A 190
ILE A 238
PHE A 213
ILE A 207
 None
 1.43A 3q5rA-3qefA:
undetectable		 3q5rA-3qefA:
21.70
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.
3qnk PUTATIVE LIPOPROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ASN A  69
ILE A 251
TYR A 248
GLU A 470
ILE A 469
 None
 1.49A 3q5rA-3qnkA:
undetectable		 3q5rA-3qnkA:
20.69
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.
3tzg HYPOTHETICAL PROTEIN
BVU_2266

(Bacteroides
vulgatus) 		no annotation 5 ILE A 129
TYR A 122
PHE A  89
TYR A 207
ILE A  91
 None
 1.19A 3q5rA-3tzgA:
undetectable		 3q5rA-3tzgA:
21.14
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.
4buo NEUROTENSIN RECEPTOR
TYPE 1

(Rattus
norvegicus) 		PF00001
(7tm_1) 		5 TYR A 126
ILE A 116
TYR A 145
TYR A 359
GLU A 124
 None
 1.29A 3q5rA-4buoA:
undetectable		 3q5rA-4buoA:
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.
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia virus) 		PF03291
(Pox_MCEL)
PF10640
(Pox_ATPase-GT) 		5 PRO A 476
VAL A 474
ASN A  55
ILE A 477
ILE A 149
 None
 1.48A 3q5rA-4ckbA:
undetectable		 3q5rA-4ckbA:
16.11
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.
4dhz UBIQUITIN
THIOESTERASE
OTUBAIN-LIKE

(Caenorhabditis
elegans;
Homo sapiens) 		PF10275
(Peptidase_C65) 		5 VAL A 270
TYR A  81
ILE A  98
TYR A 272
TYR A 157
 None
 1.45A 3q5rA-4dhzA:
undetectable		 3q5rA-4dhzA:
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.
4l95 GAMMA-GLUTAMYL
HYDROLASE

(Danio rerio) 		no annotation 5 PRO E 211
ILE E 212
TYR E 101
TYR E 213
GLU E 251
 None
 1.22A 3q5rA-4l95E:
undetectable		 3q5rA-4l95E:
20.58
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.
4lik DNA PRIMASE SMALL
SUBUNIT

(Homo sapiens) 		PF01896
(DNA_primase_S) 		5 PRO A 344
VAL A 347
TYR A 391
ILE A 127
ILE A 334
 None
 1.22A 3q5rA-4likA:
undetectable		 3q5rA-4likA:
20.55
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.
4mc0 PUTATIVE
SESQUITERPENE
CYCLASE

(Kitasatospora
setae) 		no annotation 5 ASN A 221
ILE A  85
TYR A 234
PHE A 149
GLU A 156
 None
 1.28A 3q5rA-4mc0A:
undetectable		 3q5rA-4mc0A:
22.61
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.
4mmh HEPARINASE III
PROTEIN

(Pedobacter
heparinus) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		5 PRO A 443
ASN A 565
TYR A 561
TYR A 588
GLU A 544
 None
 1.47A 3q5rA-4mmhA:
undetectable		 3q5rA-4mmhA:
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.
4phz PARTICULATE METHANE
MONOOXYGENASE
SUBUNIT C

(Methylocystis
sp. ATCC 49242) 		no annotation 5 TYR K 157
ILE K  65
PHE K  34
GLU K  73
ILE K 156
 None
None
None
None
PGT  K 302 ( 4.9A)
 1.31A 3q5rA-4phzK:
undetectable		 3q5rA-4phzK:
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.
4s15 NUCLEAR RECEPTOR
ROR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 VAL A 379
ASN A 377
ILE A 327
PHE A 399
ILE A 400
 None
 1.34A 3q5rA-4s15A:
undetectable		 3q5rA-4s15A:
23.96
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.
4u13 PUTATIVE POLYKETIDE
CYCLASE SMA1630

(Sinorhizobium
meliloti) 		PF12680
(SnoaL_2) 		5 VAL A  78
TYR A  58
PHE A  93
TYR A  10
ILE A 105
 None
 1.14A 3q5rA-4u13A:
undetectable		 3q5rA-4u13A:
16.04
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.
5cdc VP1, STRUCTURAL
POLYPROTEIN

(Israeli acute
paralysis virus) 		PF08762
(CRPV_capsid) 		5 TYR A 148
ILE A 156
TYR A 164
PHE A 188
TYR A  88
 None
 1.35A 3q5rA-5cdcA:
undetectable		 3q5rA-5cdcA:
21.86
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.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 VAL A 516
ASN A 638
ILE A 553
TYR A 615
ILE A 622
 None
 1.48A 3q5rA-5favA:
undetectable		 3q5rA-5favA:
17.78
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.
5gzh ENDO-BETA-1,2-GLUCAN
ASE

(Chitinophaga
pinensis) 		PF10091
(Glycoamylase) 		5 ASN A 258
ILE A 217
TYR A 289
TYR A 232
ILE A 242
 None
 1.41A 3q5rA-5gzhA:
undetectable		 3q5rA-5gzhA:
21.96
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		5 PRO A 608
ASN A 619
TYR A 607
TYR A 536
ILE A 522
 None
 1.26A 3q5rA-5ijlA:
undetectable		 3q5rA-5ijlA:
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.
5oc1 ARYL-ALCOHOL OXIDASE

(Pleurotus
eryngii) 		no annotation 5 PRO A  51
ASN A  56
ILE A 357
PHE A 501
TYR A  92
 None
None
ANN  A 601 (-3.7A)
FAD  A 602 ( 3.8A)
FAD  A 602 ( 3.8A)
 1.49A 3q5rA-5oc1A:
0.0		 3q5rA-5oc1A:
18.45
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.
5oo7 SLA2

(Chaetomium
thermophilum) 		no annotation 5 PRO A 197
TYR A 244
ILE A  73
PHE A 174
ILE A 171
 None
 1.25A 3q5rA-5oo7A:
undetectable		 3q5rA-5oo7A:
13.33
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.
5zic -

(-) 		no annotation 5 PRO A 604
ILE A 571
PHE A 415
TYR A 566
GLU A 606
 None
 1.29A 3q5rA-5zicA:
undetectable		 3q5rA-5zicA:
undetectable