SIMILAR PATTERNS OF AMINO ACIDS FOR 3DQS_A_H4BA760

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.
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
 1.34A 3dqsA-1l5jA:
0.0
3dqsB-1l5jA:
0.0		 3dqsA-1l5jA:
19.77
3dqsB-1l5jA:
19.77
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.
1zvd SMAD UBIQUITINATION
REGULATORY FACTOR 2

(Homo sapiens) 		PF00632
(HECT) 		4 VAL A 397
TRP A 441
PHE A 485
GLU A 405
 None
 1.48A 3dqsA-1zvdA:
0.0
3dqsB-1zvdA:
0.0		 3dqsA-1zvdA:
22.91
3dqsB-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
 1.37A 3dqsA-2d52A:
0.7
3dqsB-2d52A:
0.8		 3dqsA-2d52A:
21.81
3dqsB-2d52A:
21.81
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
 1.41A 3dqsA-2d9jA:
0.0
3dqsB-2d9jA:
0.0		 3dqsA-2d9jA:
17.10
3dqsB-2d9jA:
17.10
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
 1.22A 3dqsA-2incA:
0.0
3dqsB-2incA:
0.0		 3dqsA-2incA:
20.57
3dqsB-2incA:
20.57
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 VAL A 369
ARG A 320
PHE A 381
GLU A 368
 None
 1.43A 3dqsA-2qluA:
0.0
3dqsB-2qluA:
0.0		 3dqsA-2qluA:
22.72
3dqsB-2qluA:
22.72
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
 1.43A 3dqsA-2rttA:
0.0
3dqsB-2rttA:
0.0		 3dqsA-2rttA:
15.71
3dqsB-2rttA:
15.71
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.
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 3dqsA-2xqxA:
0.0
3dqsB-2xqxA:
0.0		 3dqsA-2xqxA:
15.50
3dqsB-2xqxA:
15.50
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.
3bwv PUTATIVE
5'(3')-DEOXYRIBONUCL
EOTIDASE

(Staphylococcus
epidermidis) 		PF06941
(NT5C) 		4 VAL A  76
TRP A 167
PHE A 110
GLU A  75
 None
 1.49A 3dqsA-3bwvA:
0.0
3dqsB-3bwvA:
0.0		 3dqsA-3bwvA:
17.27
3dqsB-3bwvA:
17.27
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 ARG A 437
TRP A 485
PHE A 489
GLU A 484
 None
 1.02A 3dqsA-3ckbA:
3.0
3dqsB-3ckbA:
undetectable		 3dqsA-3ckbA:
21.34
3dqsB-3ckbA:
21.34
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.
3g1n E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		PF00632
(HECT) 		4 VAL A4019
TRP A4065
PHE A4109
GLU A4033
 None
 1.31A 3dqsA-3g1nA:
undetectable
3dqsB-3g1nA:
undetectable		 3dqsA-3g1nA:
21.29
3dqsB-3g1nA:
21.29
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
 1.47A 3dqsA-3k77A:
undetectable
3dqsB-3k77A:
undetectable		 3dqsA-3k77A:
16.71
3dqsB-3k77A:
16.71
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.
3lcc PUTATIVE METHYL
CHLORIDE TRANSFERASE

(Arabidopsis
thaliana) 		PF05724
(TPMT) 		4 VAL A 120
ARG A  69
PHE A 133
GLU A 122
 None
 1.32A 3dqsA-3lccA:
undetectable
3dqsB-3lccA:
undetectable		 3dqsA-3lccA:
17.86
3dqsB-3lccA:
17.86
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.
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
 1.06A 3dqsA-3vv4A:
1.8
3dqsB-3vv4A:
undetectable		 3dqsA-3vv4A:
20.05
3dqsB-3vv4A:
20.05
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.
4j8c HSC70-INTERACTING
PROTEIN

(Rattus
norvegicus) 		no annotation 4 VAL A  35
TRP A  34
PHE A  30
GLU A  36
 None
 1.49A 3dqsA-4j8cA:
undetectable
3dqsB-4j8cA:
undetectable		 3dqsA-4j8cA:
8.01
3dqsB-4j8cA:
8.01
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.
4o6x ANKYRIN-3

(Homo sapiens) 		PF00531
(Death) 		4 VAL A  71
ARG A  58
PHE A  28
GLU A  25
 None
 1.19A 3dqsA-4o6xA:
undetectable
3dqsB-4o6xA:
undetectable		 3dqsA-4o6xA:
13.19
3dqsB-4o6xA:
13.19
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 3dqsA-4u3vA:
undetectable
3dqsB-4u3vA:
undetectable		 3dqsA-4u3vA:
20.24
3dqsB-4u3vA:
20.24
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.
5cow PUTATIVE
UNCHARACTERIZED
PROTEIN

(Caenorhabditis
remanei) 		no annotation 4 VAL A 409
TRP A 407
PHE A 404
GLU A 410
 None
 1.31A 3dqsA-5cowA:
1.7
3dqsB-5cowA:
undetectable		 3dqsA-5cowA:
21.53
3dqsB-5cowA:
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.
5gn5 GLYCEROL KINASE

(Trypanosoma
brucei) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 VAL A 324
TRP A 326
PHE A 359
GLU A 325
 None
 1.45A 3dqsA-5gn5A:
undetectable
3dqsB-5gn5A:
undetectable		 3dqsA-5gn5A:
22.63
3dqsB-5gn5A:
22.63
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
 1.10A 3dqsA-5jseA:
undetectable
3dqsB-5jseA:
undetectable		 3dqsA-5jseA:
18.65
3dqsB-5jseA:
18.65
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.
5lp8 E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		no annotation 4 VAL B4019
TRP B4065
PHE B4109
GLU B4033
 None
 1.24A 3dqsA-5lp8B:
undetectable
3dqsB-5lp8B:
undetectable		 3dqsA-5lp8B:
20.38
3dqsB-5lp8B:
20.38
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.
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
 1.11A 3dqsA-5lskN:
3.1
3dqsB-5lskN:
undetectable		 3dqsA-5lskN:
19.85
3dqsB-5lskN:
19.85
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.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 ARG A  84
TRP A  73
PHE A 318
GLU A 317
 None
 1.45A 3dqsA-5m7rA:
1.3
3dqsB-5m7rA:
undetectable		 3dqsA-5m7rA:
17.16
3dqsB-5m7rA:
17.16
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.
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
 1.07A 3dqsA-5m8tA:
0.5
3dqsB-5m8tA:
undetectable		 3dqsA-5m8tA:
21.25
3dqsB-5m8tA:
21.25
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 VAL A 538
ARG A 205
TRP A 599
PHE A 606
 None
 1.45A 3dqsA-5no8A:
1.4
3dqsB-5no8A:
undetectable		 3dqsA-5no8A:
21.35
3dqsB-5no8A:
21.35
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.
5vyo THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Burkholderia
pseudomallei) 		no annotation 4 VAL A  57
TRP A  56
PHE A  49
GLU A  54
 None
 1.00A 3dqsA-5vyoA:
undetectable
3dqsB-5vyoA:
undetectable		 3dqsA-5vyoA:
12.72
3dqsB-5vyoA:
12.72
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 VAL c  16
ARG F  49
PHE F  50
GLU c  51
 None
C  21421 ( 4.4A)
None
None
 0.99A 3dqsA-5xyic:
undetectable
3dqsB-5xyic:
undetectable		 3dqsA-5xyic:
10.71
3dqsB-5xyic:
10.71