SIMILAR PATTERNS OF AMINO ACIDS FOR 4N6P_A_JMSA713

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.
1bkh MUCONATE LACTONIZING
ENZYME

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 163
ALA A 139
VAL A 138
GLU A 327
 None
 1.14A 4n6pA-1bkhA:
0.5		 4n6pA-1bkhA:
22.03
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.
1h39 SQUALENE--HOPENE
CYCLASE

(Alicyclobacillus
acidocaldarius) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		4 HIS A 451
ALA A 450
VAL A 448
GLU A 446
 None
 1.37A 4n6pA-1h39A:
0.0		 4n6pA-1h39A:
20.61
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.
1iy1 ATP-DEPENDENT
METALLOPROTEASE FTSH

(Thermus
thermophilus) 		PF00004
(AAA) 		4 HIS A 204
ALA A 208
VAL A 153
GLU A 212
 ADP  A   1 (-4.1A)
None
None
None
 1.45A 4n6pA-1iy1A:
0.0		 4n6pA-1iy1A:
24.33
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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		4 HIS A 119
ALA A 118
VAL A 115
GLU A 683
 None
 1.13A 4n6pA-1jqoA:
0.0		 4n6pA-1jqoA:
16.91
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.
2ws2 GLUTATHIONE
S-TRANSFERASE

(Haemonchus
contortus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 HIS A 182
ALA A 183
VAL A 186
GLU A 162
 None
 1.50A 4n6pA-2ws2A:
0.3		 4n6pA-2ws2A:
21.26
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.
2yp2 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 HIS A  18
ALA A  19
VAL A  20
GLU A  35
 None
 1.22A 4n6pA-2yp2A:
0.0		 4n6pA-2yp2A:
20.36
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.
2z6i TRANS-2-ENOYL-ACP
REDUCTASE II

(Streptococcus
pneumoniae) 		PF03060
(NMO) 		4 HIS A 144
ALA A 228
VAL A 229
GLU A 244
 None
 1.26A 4n6pA-2z6iA:
0.0		 4n6pA-2z6iA:
22.34
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.
3c4f BASIC FIBROBLAST
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 HIS A 738
ALA A 739
VAL A 740
GLU A 670
 None
 1.37A 4n6pA-3c4fA:
undetectable		 4n6pA-3c4fA:
22.59
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 HIS A 429
ALA A 406
VAL A 427
GLU A 552
 None
 1.25A 4n6pA-3ecqA:
0.0		 4n6pA-3ecqA:
12.80
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.
3ezo MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Burkholderia
pseudomallei) 		PF00698
(Acyl_transf_1) 		4 HIS A 260
ALA A 232
VAL A 231
GLU A  92
 None
 1.48A 4n6pA-3ezoA:
0.0		 4n6pA-3ezoA:
23.32
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.
3fj4 MUCONATE
CYCLOISOMERASE

(Pseudomonas
protegens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 165
ALA A 141
VAL A 140
GLU A 329
 None
None
None
MUC  A 383 (-3.2A)
 1.08A 4n6pA-3fj4A:
undetectable		 4n6pA-3fj4A:
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.
3tt0 BASIC FIBROBLAST
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 HIS A 738
ALA A 739
VAL A 740
GLU A 670
 None
 1.35A 4n6pA-3tt0A:
undetectable		 4n6pA-3tt0A:
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.
3vrd FLAVOCYTOCHROME C
FLAVIN SUBUNIT

(Thermochromatium
tepidum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		4 HIS B 389
ALA B 388
VAL B 385
GLU B 167
 None
 1.29A 4n6pA-3vrdB:
undetectable		 4n6pA-3vrdB:
21.50
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.
4cyz HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 HIS A  18
ALA A  19
VAL A  20
GLU A  35
 None
 1.20A 4n6pA-4cyzA:
undetectable		 4n6pA-4cyzA:
21.37
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.
4dnh UNCHARACTERIZED
PROTEIN

(Sinorhizobium
meliloti) 		PF06187
(DUF993) 		4 HIS A  43
ALA A  86
VAL A  44
GLU A  81
 None
 1.45A 4n6pA-4dnhA:
undetectable		 4n6pA-4dnhA:
20.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fim LACTOTRANSFERRIN

(Bos taurus) 		PF00405
(Transferrin) 		4 HIS A 588
ALA A 590
VAL A 591
GLU A 664
 ZN  A 704 (-3.2A)
None
None
NAG  A 708 (-4.8A)
 0.72A 4n6pA-4fimA:
60.7		 4n6pA-4fimA:
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.
4ope NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 HIS A4401
ALA A4486
VAL A4487
GLU A4510
 None
 1.30A 4n6pA-4opeA:
undetectable		 4n6pA-4opeA:
20.71
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.
4oqj PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 HIS A 198
ALA A 283
VAL A 284
GLU A 308
 None
 1.32A 4n6pA-4oqjA:
undetectable		 4n6pA-4oqjA:
18.41
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.
4qbj GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Aspergillus
fumigatus) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 HIS A 458
ALA A 250
VAL A 252
GLU A 149
 None
NHM  A 504 ( 3.9A)
None
NHM  A 504 (-4.0A)
 1.29A 4n6pA-4qbjA:
undetectable		 4n6pA-4qbjA:
20.40
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.
4unw H3 HAEMAGGLUTININ
HA1 CHAIN

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 HIS A  18
ALA A  19
VAL A  20
GLU A  35
 None
 1.19A 4n6pA-4unwA:
undetectable		 4n6pA-4unwA:
21.73
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.
4zi9 MCG133388, ISOFORM
CRA_T

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 HIS A 180
ALA A 178
VAL A 204
GLU A 175
 None
None
None
CA  A 502 ( 2.2A)
 1.08A 4n6pA-4zi9A:
undetectable		 4n6pA-4zi9A:
21.98
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.
4zpm PROTEIN PCDHAC2

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 HIS A 181
ALA A 179
VAL A 205
GLU A 176
 None
None
None
CA  A 808 ( 2.4A)
 1.02A 4n6pA-4zpmA:
undetectable		 4n6pA-4zpmA:
23.02
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.
4zpq MCG133388, ISOFORM
CRA_F

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 HIS A 179
ALA A 177
VAL A 203
GLU A 174
 None
None
None
CA  A 403 ( 2.5A)
 1.10A 4n6pA-4zpqA:
undetectable		 4n6pA-4zpqA:
24.15
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.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 HIS A 429
ALA A 406
VAL A 427
GLU A 552
 None
 1.28A 4n6pA-5a55A:
undetectable		 4n6pA-5a55A:
14.48
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.
5jir OOP FAMILY OMPA-OMPF
PORIN

(Treponema
pallidum) 		no annotation 4 HIS B 180
ALA B 183
VAL B 242
GLU B 310
 None
 1.45A 4n6pA-5jirB:
undetectable		 4n6pA-5jirB:
22.27
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.
5szl PROTOCADHERIN GAMMA
A1 EXTRACELLULAR
CADHERIN DOMAINS
1-4, PROTEIN PCDHGA1

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 HIS A 180
ALA A 178
VAL A 204
GLU A 175
 None
None
None
CA  A 504 ( 2.4A)
 0.99A 4n6pA-5szlA:
undetectable		 4n6pA-5szlA:
21.17
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.
5uto EDD DOMAIN PROTEIN,
DEGV FAMILY

(Staphylococcus
aureus) 		no annotation 4 HIS A 270
ALA A 268
VAL A 267
GLU A  40
 PLM  A 301 (-3.5A)
None
PLM  A 301 (-4.3A)
None
 1.48A 4n6pA-5utoA:
undetectable		 4n6pA-5utoA:
12.54
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.
5xl2 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 HIS A  14
ALA A  15
VAL A  16
GLU A  31
 None
 1.31A 4n6pA-5xl2A:
undetectable		 4n6pA-5xl2A:
21.83
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.
5xl6 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 HIS A  14
ALA A  15
VAL A  16
GLU A  31
 None
 1.28A 4n6pA-5xl6A:
undetectable		 4n6pA-5xl6A:
21.69
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.
5xrt -

(-) 		no annotation 4 HIS A  18
ALA A  19
VAL A  20
GLU A  35
 None
 1.31A 4n6pA-5xrtA:
undetectable		 4n6pA-5xrtA:
undetectable
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.
5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 4 HIS C 271
ALA C 273
VAL C 272
GLU C 239
 None
 1.38A 4n6pA-5y6qC:
undetectable		 4n6pA-5y6qC:
14.20
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.
6bkp HEMAGGLUTININ

(Influenza A
virus) 		no annotation 4 HIS A  18
ALA A  19
VAL A  20
GLU A  35
 None
 1.19A 4n6pA-6bkpA:
undetectable		 4n6pA-6bkpA:
21.20