SIMILAR PATTERNS OF AMINO ACIDS FOR 1E6W_C_ESTC302

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.
1mqs INTEGRAL MEMBRANE
PROTEIN SED5
SLY1 PROTEIN

(Saccharomyces
cerevisiae) 		PF00995
(Sec1)
PF11416
(Syntaxin-5_N) 		4 ALA A 141
GLN A 142
TYR B  17
LEU A 136
 None
 1.35A 1e6wC-1mqsA:
0.3		 1e6wC-1mqsA:
17.73
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.
1msk COBALAMIN-DEPENDENT
METHIONINE SYNTHASE

(Escherichia
coli) 		PF02965
(Met_synt_B12) 		4 ALA A1115
GLN A1131
TYR A1114
LEU A1120
 None
 1.49A 1e6wC-1mskA:
undetectable		 1e6wC-1mskA:
22.13
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.
1ucd RIBONUCLEASE MC

(Momordica
charantia) 		PF00445
(Ribonuclease_T2) 		4 ALA A 167
GLN A   8
TYR A 112
LEU A 149
 None
 1.10A 1e6wC-1ucdA:
undetectable		 1e6wC-1ucdA:
21.74
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.
2amc PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN
PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		4 ALA A 121
GLN B 496
TYR B 492
LEU A 110
 None
 1.40A 1e6wC-2amcA:
undetectable		 1e6wC-2amcA:
22.73
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.
2fji EXOCYST COMPLEX
COMPONENT SEC6

(Saccharomyces
cerevisiae) 		PF06046
(Sec6) 		4 ALA 1 485
GLN 1 577
TYR 1 574
LEU 1 423
 None
 1.30A 1e6wC-2fji1:
undetectable		 1e6wC-2fji1:
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.
2l1a FORMIN-C

(Dictyostelium
discoideum) 		no annotation 4 ALA A  67
GLN A  69
TYR A  76
LEU A  14
 None
 1.46A 1e6wC-2l1aA:
undetectable		 1e6wC-2l1aA:
19.60
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.
2xhe UNC18

(Monosiga
brevicollis) 		PF00995
(Sec1) 		4 ALA A 245
GLN A 242
TYR A 246
LEU A 345
 None
 1.29A 1e6wC-2xheA:
0.9		 1e6wC-2xheA:
17.42
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.
3a5r BENZALACETONE
SYNTHASE

(Rheum palmatum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 ALA A 159
GLN A 237
TYR A 158
LEU A 166
 None
 1.43A 1e6wC-3a5rA:
0.6		 1e6wC-3a5rA:
20.97
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.
3c60 TCR YAE62 ALPHA
CHAIN

(Mus musculus) 		PF07686
(V-set)
PF09291
(DUF1968) 		4 ALA A  85
GLN A  44
TYR A  38
LEU A  74
 None
 1.26A 1e6wC-3c60A:
undetectable		 1e6wC-3c60A:
23.42
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.
3gvz UNCHARACTERIZED
PROTEIN CV2077

(Chromobacterium
violaceum) 		PF03417
(AAT) 		4 ALA A  96
GLN A 187
TYR A 177
LEU A 103
 None
 1.42A 1e6wC-3gvzA:
undetectable		 1e6wC-3gvzA:
23.65
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		4 ALA A 586
GLN A 488
TYR A 585
LEU A 693
 None
 1.45A 1e6wC-3i5gA:
undetectable		 1e6wC-3i5gA:
15.77
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.
3im0 VAL-1

(Paramecium
bursaria
Chlorella virus
CVK2) 		no annotation 4 ALA A 233
GLN A 231
TYR A  44
LEU A 160
 None
 1.28A 1e6wC-3im0A:
undetectable		 1e6wC-3im0A:
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.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		4 ALA A 485
GLN A 477
TYR A 486
LEU A 659
 None
 1.41A 1e6wC-3lvvA:
undetectable		 1e6wC-3lvvA:
19.35
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.
3o98 BIFUNCTIONAL
GLUTATHIONYLSPERMIDI
NE
SYNTHETASE/AMIDASE

(Escherichia
coli) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		4 ALA A  24
GLN A 148
TYR A  26
LEU A  69
 None
 1.30A 1e6wC-3o98A:
3.2		 1e6wC-3o98A:
16.89
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.
4asy GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Pseudomonas
aeruginosa) 		PF00483
(NTP_transferase) 		4 ALA A 132
GLN A 211
TYR A 206
LEU A 103
 None
 1.19A 1e6wC-4asyA:
3.0		 1e6wC-4asyA:
22.22
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 11
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M)
PF00420
(Oxidored_q2) 		4 ALA N 259
GLN N 251
TYR N 260
LEU K  93
 None
 1.43A 1e6wC-4heaN:
undetectable		 1e6wC-4heaN:
22.38
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.
4i8o TOXIN RNLA

(Escherichia
coli) 		PF15935
(RnlA_toxin) 		4 ALA A  86
GLN A  72
TYR A  73
LEU A  10
 None
 1.41A 1e6wC-4i8oA:
undetectable		 1e6wC-4i8oA:
25.28
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.
4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN

(Bacillus
anthracis) 		PF00188
(CAP)
PF14504
(CAP_assoc_N) 		4 ALA A 112
GLN A  98
TYR A  96
LEU A 307
 None
 1.33A 1e6wC-4ifaA:
undetectable		 1e6wC-4ifaA:
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.
4iuw NEUTRAL
ENDOPEPTIDASE

(Lactobacillus
rhamnosus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 ALA A 231
GLN A 412
TYR A 235
LEU A 108
 None
 1.47A 1e6wC-4iuwA:
undetectable		 1e6wC-4iuwA:
19.36
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.
4jpz FIBROBLAST GROWTH
FACTOR 13

(Homo sapiens) 		PF00167
(FGF) 		4 ALA A  60
GLN A  62
TYR A  69
LEU A  13
 None
 1.29A 1e6wC-4jpzA:
undetectable		 1e6wC-4jpzA:
22.05
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.
4l37 SILKWORM STORAGE
PROTEIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 ALA A 146
GLN A 400
TYR A 147
LEU A 140
 None
 1.32A 1e6wC-4l37A:
undetectable		 1e6wC-4l37A:
17.37
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.
4lzi MULTICYSTATIN

(Solanum
tuberosum) 		PF00031
(Cystatin) 		4 ALA A 211
GLN A 208
TYR A 228
LEU A 232
 None
 1.49A 1e6wC-4lziA:
undetectable		 1e6wC-4lziA:
22.22
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.
4pd3 NONMUSCLE MYOSIN
HEAVY CHAIN B,
ALPHA-ACTININ A
CHIMERA PROTEIN

(Dictyostelium
discoideum;
Homo sapiens) 		PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N) 		4 ALA A 581
GLN A 484
TYR A 580
LEU A 699
 None
 1.45A 1e6wC-4pd3A:
undetectable		 1e6wC-4pd3A:
14.24
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.
4qrp DD31 TCR ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968) 		4 ALA D 100
GLN D  51
TYR D  45
LEU D  89
 None
 1.22A 1e6wC-4qrpD:
undetectable		 1e6wC-4qrpD:
23.16
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.
4r5d LEUCINE RICH REPEAT
PROTEIN

(synthetic
construct) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 ALA A   0
GLN A  36
TYR A  60
LEU A  83
 None
 1.47A 1e6wC-4r5dA:
undetectable		 1e6wC-4r5dA:
19.27
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.
4u4p STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
4

(Homo sapiens) 		PF06470
(SMC_hinge) 		4 ALA B 728
GLN B 730
TYR B 729
LEU B 721
 None
 1.24A 1e6wC-4u4pB:
undetectable		 1e6wC-4u4pB:
22.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xgn 3-HYDROXYACYL-COA
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00106
(adh_short) 		4 ALA A  87
GLN A 155
TYR A 158
LEU A 196
 EDO  A 301 ( 4.1A)
None
EDO  A 301 ( 4.2A)
None
 0.47A 1e6wC-4xgnA:
39.2		 1e6wC-4xgnA:
54.92
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		4 ALA A1079
GLN A1075
TYR A1552
LEU A1105
 None
 1.17A 1e6wC-5a31A:
undetectable		 1e6wC-5a31A:
12.01
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.
5gw8 HYPOTHETICAL
SECRETORY LIPASE
(FAMILY 3)

(Malassezia
globosa) 		PF01764
(Lipase_3) 		4 ALA A 292
GLN A  99
TYR A  54
LEU A 106
 None
 1.24A 1e6wC-5gw8A:
0.9		 1e6wC-5gw8A:
22.64
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.
5gz8 PROTEIN O-MANNOSE
KINASE

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		4 ALA A 224
GLN A 213
TYR A 214
LEU A 128
 None
 1.36A 1e6wC-5gz8A:
undetectable		 1e6wC-5gz8A:
21.75
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.
5i39 L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		4 ALA A 311
GLN A 280
TYR A  97
LEU A 388
 None
FAD  A 501 (-4.4A)
None
EDO  A 506 (-4.1A)
 1.47A 1e6wC-5i39A:
0.2		 1e6wC-5i39A:
22.00
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.
5lcw ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		4 ALA A1079
GLN A1075
TYR A1552
LEU A1105
 None
 1.15A 1e6wC-5lcwA:
undetectable		 1e6wC-5lcwA:
9.06
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.
5m3l EXTRACELLULAR
GLOBIN-3

(Lumbricus
terrestris) 		PF00042
(Globin) 		4 ALA C 133
GLN C  18
TYR C 131
LEU C 140
 None
 1.47A 1e6wC-5m3lC:
undetectable		 1e6wC-5m3lC:
19.32