SIMILAR PATTERNS OF AMINO ACIDS FOR 4CWY_A_H4BA600_1

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.
1gzv GLUCOSE-6-PHOSPHATE
ISOMERASE

(Sus scrofa) 		PF00342
(PGI) 		4 VAL A  63
ARG A  35
TRP A 325
PHE A  39
 None
 1.30A 4cwyA-1gzvA:
0.2
4cwyB-1gzvA:
0.0		 4cwyA-1gzvA:
23.06
4cwyB-1gzvA:
23.06
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.
1kex NEUROPILIN-1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		4 ARG A 130
TRP A  97
PHE A 131
GLU A  95
 None
 1.45A 4cwyA-1kexA:
0.0
4cwyB-1kexA:
0.0		 4cwyA-1kexA:
15.51
4cwyB-1kexA:
15.51
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 ARG A 340
TRP A 155
PHE A 156
GLU A 154
 None
 1.32A 4cwyA-1l5jA:
0.0
4cwyB-1l5jA:
0.0		 4cwyA-1l5jA:
20.21
4cwyB-1l5jA:
20.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lzx NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF02898
(NO_synthase) 		4 TRP A 306
TRP A 676
PHE A 691
GLU A 694
 None
 0.24A 4cwyA-1lzxA:
59.4
4cwyB-1lzxA:
59.7		 4cwyA-1lzxA:
62.75
4cwyB-1lzxA:
62.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.19A 4cwyA-1m9qA:
62.6
4cwyB-1m9qA:
16.0		 4cwyA-1m9qA:
95.17
4cwyB-1m9qA:
95.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qw5 NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Mus musculus) 		PF02898
(NO_synthase) 		4 TRP A  84
TRP A 455
PHE A 470
GLU A 473
 None
 0.31A 4cwyA-1qw5A:
56.7
4cwyB-1qw5A:
57.0		 4cwyA-1qw5A:
57.79
4cwyB-1qw5A:
57.79
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.
1w8g HYPOTHETICAL UPF0001
PROTEIN YGGS

(Escherichia
coli) 		PF01168
(Ala_racemase_N) 		4 TRP A  99
TRP A  79
PHE A  97
GLU A  78
 None
 1.17A 4cwyA-1w8gA:
0.1
4cwyB-1w8gA:
0.3		 4cwyA-1w8gA:
21.90
4cwyB-1w8gA:
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.
1zvd SMAD UBIQUITINATION
REGULATORY FACTOR 2

(Homo sapiens) 		PF00632
(HECT) 		4 VAL A 397
TRP A 441
PHE A 485
GLU A 405
 None
 1.45A 4cwyA-1zvdA:
0.0
4cwyB-1zvdA:
0.0		 4cwyA-1zvdA:
22.91
4cwyB-1zvdA:
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.
2d52 PENTAKETIDE CHROMONE
SYNTHASE

(Aloe
arborescens) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.32A 4cwyA-2d52A:
0.8
4cwyB-2d52A:
0.8		 4cwyA-2d52A:
21.89
4cwyB-2d52A:
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.
2d9j REGULATOR OF
G-PROTEIN SIGNALLING
7

(Homo sapiens) 		PF00615
(RGS) 		4 VAL A  27
TRP A  15
PHE A 123
GLU A  30
 None
 1.50A 4cwyA-2d9jA:
undetectable
4cwyB-2d9jA:
undetectable		 4cwyA-2d9jA:
17.60
4cwyB-2d9jA:
17.60
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.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		4 VAL A  23
ARG A 116
PHE A  29
GLU A  27
 None
 1.30A 4cwyA-2incA:
undetectable
4cwyB-2incA:
undetectable		 4cwyA-2incA:
20.59
4cwyB-2incA:
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.
2rdy BH0842 PROTEIN

(Bacillus
halodurans) 		PF14498
(Glyco_hyd_65N_2) 		4 VAL A 588
TRP A 630
TRP A 635
PHE A 638
 None
 1.15A 4cwyA-2rdyA:
2.1
4cwyB-2rdyA:
2.2		 4cwyA-2rdyA:
21.53
4cwyB-2rdyA:
21.53
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.
2rtt CHIC

(Streptomyces
coelicolor) 		PF00553
(CBM_2) 		4 VAL A  37
TRP A  22
PHE A  41
GLU A  38
 None
 1.47A 4cwyA-2rttA:
undetectable
4cwyB-2rttA:
undetectable		 4cwyA-2rttA:
15.25
4cwyB-2rttA:
15.25
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.
2xpi ANAPHASE-PROMOTING
COMPLEX SUBUNIT CUT9
ANAPHASE-PROMOTING
COMPLEX SUBUNIT HCN1
HCN1/CDC26,20S
CYCLOSOME/APC
COMPLEX PROTEIN
HCN1, CHAPERONE-LIKE
PROTEIN HCN1, HIGH
COPY SUPPRESSOR OF
CUT9 PROTEIN 1

(Schizosaccharomyces
pombe) 		PF10471
(ANAPC_CDC26)
PF12895
(ANAPC3)
PF13181
(TPR_8)
PF13424
(TPR_12) 		4 VAL A 505
ARG B   4
TRP A 515
PHE A 321
 None
 1.45A 4cwyA-2xpiA:
undetectable
4cwyB-2xpiA:
undetectable		 4cwyA-2xpiA:
21.73
4cwyB-2xpiA:
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.
2xqx ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D

(Streptococcus
pneumoniae) 		PF00754
(F5_F8_type_C) 		4 VAL A 811
TRP A 840
PHE A 816
GLU A 826
 None
 1.48A 4cwyA-2xqxA:
undetectable
4cwyB-2xqxA:
undetectable		 4cwyA-2xqxA:
15.23
4cwyB-2xqxA:
15.23
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.
3a2f DNA POLYMERASE

(Pyrococcus
furiosus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 VAL A 537
TRP A 526
PHE A 564
GLU A 530
 None
 1.32A 4cwyA-3a2fA:
4.0
4cwyB-3a2fA:
4.1		 4cwyA-3a2fA:
20.21
4cwyB-3a2fA:
20.21
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.
3bwv PUTATIVE
5'(3')-DEOXYRIBONUCL
EOTIDASE

(Staphylococcus
epidermidis) 		PF06941
(NT5C) 		4 VAL A  76
TRP A 167
PHE A 110
GLU A  75
 None
 1.48A 4cwyA-3bwvA:
undetectable
4cwyB-3bwvA:
undetectable		 4cwyA-3bwvA:
16.44
4cwyB-3bwvA:
16.44
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 ARG A 437
TRP A 485
PHE A 489
GLU A 484
 None
 1.01A 4cwyA-3ckbA:
3.2
4cwyB-3ckbA:
3.0		 4cwyA-3ckbA:
21.88
4cwyB-3ckbA:
21.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 TRP A  90
TRP A 461
PHE A 476
GLU A 479
 None
 0.29A 4cwyA-3e7gA:
55.5
4cwyB-3e7gA:
17.2		 4cwyA-3e7gA:
58.03
4cwyB-3e7gA:
58.03
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.
3g1n E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		PF00632
(HECT) 		4 VAL A4019
TRP A4065
PHE A4109
GLU A4033
 None
 1.32A 4cwyA-3g1nA:
undetectable
4cwyB-3g1nA:
undetectable		 4cwyA-3g1nA:
21.68
4cwyB-3g1nA:
21.68
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.
3j9t V-TYPE PROTON ATPASE
SUBUNIT H

(Saccharomyces
cerevisiae) 		PF03224
(V-ATPase_H_N)
PF11698
(V-ATPase_H_C) 		4 VAL P 422
TRP P 370
TRP P 380
PHE P 379
 None
 1.47A 4cwyA-3j9tP:
undetectable
4cwyB-3j9tP:
undetectable		 4cwyA-3j9tP:
20.52
4cwyB-3j9tP:
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.
3k25 SLR1438 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF01263
(Aldose_epim) 		4 VAL A 241
TRP A 256
PHE A 233
GLU A 254
 None
 0.95A 4cwyA-3k25A:
undetectable
4cwyB-3k25A:
undetectable		 4cwyA-3k25A:
21.71
4cwyB-3k25A:
21.71
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.
3k77 DNA REPAIR PROTEIN
XRCC1

(Homo sapiens) 		PF01834
(XRCC1_N) 		4 VAL A  89
ARG A 109
PHE A  93
GLU A  69
 None
 1.41A 4cwyA-3k77A:
undetectable
4cwyB-3k77A:
undetectable		 4cwyA-3k77A:
15.35
4cwyB-3k77A:
15.35
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.
3lcc PUTATIVE METHYL
CHLORIDE TRANSFERASE

(Arabidopsis
thaliana) 		PF05724
(TPMT) 		4 VAL A 120
ARG A  69
PHE A 133
GLU A 122
 None
 1.36A 4cwyA-3lccA:
1.0
4cwyB-3lccA:
1.3		 4cwyA-3lccA:
18.04
4cwyB-3lccA:
18.04
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.
3vv4 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Thermosynechococcus
elongatus) 		PF01590
(GAF) 		4 VAL A  72
TRP A  71
PHE A  67
GLU A  73
 None
PVG  A 201 (-3.6A)
None
None
 1.05A 4cwyA-3vv4A:
undetectable
4cwyB-3vv4A:
undetectable		 4cwyA-3vv4A:
19.96
4cwyB-3vv4A:
19.96
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.
4fcs VERSATILE PEROXIDASE
VPL2

(Pleurotus
eryngii) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 VAL A 160
TRP A 164
TRP A 244
GLU A 243
 None
 1.35A 4cwyA-4fcsA:
1.4
4cwyB-4fcsA:
undetectable		 4cwyA-4fcsA:
20.58
4cwyB-4fcsA:
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.
4gf8 PEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Vibrio cholerae) 		PF00496
(SBP_bac_5) 		4 VAL A 130
TRP A 107
PHE A  90
GLU A 133
 None
 1.47A 4cwyA-4gf8A:
undetectable
4cwyB-4gf8A:
undetectable		 4cwyA-4gf8A:
22.58
4cwyB-4gf8A:
22.58
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.
4j3q CATECHOL OXIDASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		4 ARG A 239
TRP A  58
TRP A 143
PHE A 158
 None
 1.37A 4cwyA-4j3qA:
undetectable
4cwyB-4j3qA:
undetectable		 4cwyA-4j3qA:
21.69
4cwyB-4j3qA:
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.
4j8c HSC70-INTERACTING
PROTEIN

(Rattus
norvegicus) 		no annotation 4 VAL A  35
TRP A  34
PHE A  30
GLU A  36
 None
 1.47A 4cwyA-4j8cA:
undetectable
4cwyB-4j8cA:
undetectable		 4cwyA-4j8cA:
8.45
4cwyB-4j8cA:
8.45
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.
4o6x ANKYRIN-3

(Homo sapiens) 		PF00531
(Death) 		4 VAL A  71
ARG A  58
PHE A  28
GLU A  25
 None
 1.24A 4cwyA-4o6xA:
undetectable
4cwyB-4o6xA:
undetectable		 4cwyA-4o6xA:
13.54
4cwyB-4o6xA:
13.54
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.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		4 ARG A   9
TRP A 428
PHE A 431
GLU A 429
 None
 1.46A 4cwyA-4qbuA:
undetectable
4cwyB-4qbuA:
undetectable		 4cwyA-4qbuA:
21.53
4cwyB-4qbuA:
21.53
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.
4u3v POLYKETIDE SYNTHASE
PKSR

(Bacillus
subtilis) 		PF14765
(PS-DH) 		4 VAL A  19
TRP A 140
PHE A 144
GLU A 139
 None
 1.03A 4cwyA-4u3vA:
undetectable
4cwyB-4u3vA:
undetectable		 4cwyA-4u3vA:
19.47
4cwyB-4u3vA:
19.47
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.
5cow PUTATIVE
UNCHARACTERIZED
PROTEIN

(Caenorhabditis
remanei) 		no annotation 4 VAL A 409
TRP A 407
PHE A 404
GLU A 410
 None
 1.33A 4cwyA-5cowA:
undetectable
4cwyB-5cowA:
undetectable		 4cwyA-5cowA:
20.90
4cwyB-5cowA:
20.90
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.
5i2u CELLULASE

(soil metagenome) 		PF00150
(Cellulase) 		4 TRP A 179
TRP A 141
PHE A 147
GLU A 143
 None
None
None
GOL  A 402 (-2.9A)
 1.47A 4cwyA-5i2uA:
0.9
4cwyB-5i2uA:
0.8		 4cwyA-5i2uA:
21.73
4cwyB-5i2uA:
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.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		4 VAL A 341
TRP A 323
TRP A 347
PHE A 290
 None
 1.07A 4cwyA-5jseA:
undetectable
4cwyB-5jseA:
undetectable		 4cwyA-5jseA:
19.31
4cwyB-5jseA:
19.31
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.
5k1h EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT B

(Homo sapiens) 		PF00076
(RRM_1)
PF08662
(eIF2A) 		4 VAL B 570
TRP B 607
TRP B 562
GLU B 561
 None
 1.41A 4cwyA-5k1hB:
undetectable
4cwyB-5k1hB:
undetectable		 4cwyA-5k1hB:
22.41
4cwyB-5k1hB:
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.
5l46 DIMETHYLGLYCINE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		4 VAL A 329
TRP A 324
TRP A 251
GLU A 254
 None
None
FAD  A 901 (-3.9A)
None
 1.33A 4cwyA-5l46A:
undetectable
4cwyB-5l46A:
undetectable		 4cwyA-5l46A:
20.70
4cwyB-5l46A:
20.70
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.
5lp8 E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		no annotation 4 VAL B4019
TRP B4065
PHE B4109
GLU B4033
 None
 1.26A 4cwyA-5lp8B:
undetectable
4cwyB-5lp8B:
undetectable		 4cwyA-5lp8B:
21.31
4cwyB-5lp8B:
21.31
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.
5lsk CENTROMERE PROTEIN C
KINETOCHORE-ASSOCIAT
ED PROTEIN NSL1
HOMOLOG

(Homo sapiens) 		PF08641
(Mis14)
PF15622
(CENP_C_N) 		4 VAL N 120
ARG P  16
PHE N 115
GLU N 117
 None
 1.18A 4cwyA-5lskN:
3.0
4cwyB-5lskN:
3.0		 4cwyA-5lskN:
19.09
4cwyB-5lskN:
19.09
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 ARG A 225
TRP A 414
PHE A 411
GLU A 413
 None
 1.08A 4cwyA-5m8tA:
undetectable
4cwyB-5m8tA:
0.5		 4cwyA-5m8tA:
21.75
4cwyB-5m8tA:
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.
5vyo THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Burkholderia
pseudomallei) 		no annotation 4 VAL A  57
TRP A  56
PHE A  49
GLU A  54
 None
 1.05A 4cwyA-5vyoA:
undetectable
4cwyB-5vyoA:
undetectable		 4cwyA-5vyoA:
9.71
4cwyB-5vyoA:
9.71
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.
6gk6 -

(-) 		no annotation 4 VAL A 309
TRP A  45
TRP A 297
GLU A 313
 None
 1.29A 4cwyA-6gk6A:
undetectable
4cwyB-6gk6A:
undetectable		 4cwyA-6gk6A:
undetectable
4cwyB-6gk6A:
undetectable