SIMILAR PATTERNS OF AMINO ACIDS FOR 4CWY_B_H4BB600

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 TRP A 325
PHE A  39
VAL A  63
ARG A  35
 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 TRP A  97
PHE A 131
GLU A  95
ARG A 130
 None
 1.44A 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 TRP A 155
PHE A 156
GLU A 154
ARG A 340
 None
 1.34A 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
 0.25A 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
 1.16A 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 PHE A 485
GLU A 405
VAL A 397
TRP A 441
 None
 1.47A 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 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.34A 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.
2in5 HYPOTHETICAL
LIPOPROTEIN YMCC

(Escherichia
coli) 		PF11102
(YjbF) 		4 TRP A 163
PHE A 167
VAL A 154
ARG A  75
 None
 1.41A 4cwyA-2in5A:
undetectable
4cwyB-2in5A:
undetectable		 4cwyA-2in5A:
16.70
4cwyB-2in5A:
16.70
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.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		4 PHE A  29
GLU A  27
VAL A  23
ARG A 116
 None
 1.28A 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.
2qlu ACTIVIN RECEPTOR
TYPE IIB

(Homo sapiens) 		PF00069
(Pkinase) 		4 PHE A 381
GLU A 368
VAL A 369
ARG A 320
 None
 1.37A 4cwyA-2qluA:
undetectable
4cwyB-2qluA:
undetectable		 4cwyA-2qluA:
22.37
4cwyB-2qluA:
22.37
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.
2qqo NEUROPILIN-2

(Homo sapiens) 		PF00431
(CUB)
PF00754
(F5_F8_type_C) 		4 TRP A 372
PHE A 406
GLU A 370
ARG A 405
 None
 1.48A 4cwyA-2qqoA:
undetectable
4cwyB-2qqoA:
1.1		 4cwyA-2qqoA:
23.53
4cwyB-2qqoA:
23.53
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.
2rdy BH0842 PROTEIN

(Bacillus
halodurans) 		PF14498
(Glyco_hyd_65N_2) 		4 TRP A 630
TRP A 635
PHE A 638
VAL A 588
 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 PHE A  41
GLU A  38
VAL A  37
TRP A  22
 None
 1.49A 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 PHE A 321
VAL A 505
ARG B   4
TRP A 515
 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.
3a2f DNA POLYMERASE

(Pyrococcus
furiosus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 TRP A 526
PHE A 564
GLU A 530
VAL A 537
 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 PHE A 110
GLU A  75
VAL A  76
TRP A 167
 None
 1.49A 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 TRP A 485
PHE A 489
GLU A 484
ARG A 437
 None
 0.97A 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
 0.28A 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 PHE A4109
GLU A4033
VAL A4019
TRP A4065
 None
 1.33A 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 TRP P 370
TRP P 380
PHE P 379
VAL P 422
 None
 1.45A 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 TRP A 256
PHE A 233
GLU A 254
VAL A 241
 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 PHE A  93
GLU A  69
VAL A  89
ARG A 109
 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 PHE A 133
GLU A 122
VAL A 120
ARG A  69
 None
 1.36A 4cwyA-3lccA:
1.0
4cwyB-3lccA:
1.0		 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 PHE A  67
GLU A  73
VAL A  72
TRP A  71
 None
None
None
PVG  A 201 (-3.6A)
 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.
4j8c HSC70-INTERACTING
PROTEIN

(Rattus
norvegicus) 		no annotation 4 PHE A  30
GLU A  36
VAL A  35
TRP A  34
 None
 1.48A 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 PHE A  28
GLU A  25
VAL A  71
ARG A  58
 None
 1.23A 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 TRP A 428
PHE A 431
GLU A 429
ARG A   9
 None
 1.48A 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 TRP A 140
PHE A 144
GLU A 139
VAL A  19
 None
 1.05A 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 TRP A 407
PHE A 404
GLU A 410
VAL A 409
 None
 1.31A 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.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		4 TRP A 347
PHE A 290
VAL A 341
TRP A 323
 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 TRP B 607
TRP B 562
GLU B 561
VAL B 570
 None
 1.42A 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 TRP A 251
GLU A 254
VAL A 329
TRP A 324
 FAD  A 901 (-3.9A)
None
None
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 PHE B4109
GLU B4033
VAL B4019
TRP B4065
 None
 1.25A 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 PHE N 115
GLU N 117
VAL N 120
ARG P  16
 None
 1.14A 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 TRP A 414
PHE A 411
GLU A 413
ARG A 225
 None
 1.07A 4cwyA-5m8tA:
0.5
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 TRP A 599
PHE A 606
VAL A 538
ARG A 205
 None
 1.49A 4cwyA-5no8A:
1.4
4cwyB-5no8A:
undetectable		 4cwyA-5no8A:
21.87
4cwyB-5no8A:
21.87
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.
5vyo THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Burkholderia
pseudomallei) 		no annotation 4 PHE A  49
GLU A  54
VAL A  57
TRP A  56
 None
 1.02A 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.
5xyi 40S RIBOSOMAL
PROTEIN S5-B,
PUTATIVE
UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis) 		PF00177
(Ribosomal_S7)
PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		4 PHE F  50
GLU c  51
VAL c  16
ARG F  49
 None
None
None
C  21421 ( 4.4A)
 0.97A 4cwyA-5xyiF:
undetectable
4cwyB-5xyiF:
undetectable		 4cwyA-5xyiF:
18.08
4cwyB-5xyiF:
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.
6gk6 -

(-) 		no annotation 4 TRP A  45
TRP A 297
GLU A 313
VAL A 309
 None
 1.28A 4cwyA-6gk6A:
undetectable
4cwyB-6gk6A:
undetectable		 4cwyA-6gk6A:
undetectable
4cwyB-6gk6A:
undetectable