SIMILAR PATTERNS OF AMINO ACIDS FOR 4D33_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.
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
 1.35A 4d33A-1l5jA:
0.0
4d33B-1l5jA:
0.0		 4d33A-1l5jA:
20.21
4d33B-1l5jA:
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.
1s9u PUTATIVE COMPONENT
OF ANAEROBIC
DEHYDROGENASES

(Salmonella
enterica) 		PF02613
(Nitrate_red_del) 		4 VAL A  90
TRP A  87
TRP A 158
PHE A 162
 None
 1.40A 4d33A-1s9uA:
0.0
4d33B-1s9uA:
0.0		 4d33A-1s9uA:
21.28
4d33B-1s9uA:
21.28
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.
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
 1.34A 4d33A-2d52A:
0.6
4d33B-2d52A:
0.7		 4d33A-2d52A:
21.89
4d33B-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
 1.40A 4d33A-2d9jA:
0.0
4d33B-2d9jA:
0.0		 4d33A-2d9jA:
17.60
4d33B-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.
2e9f ARGININOSUCCINATE
LYASE

(Thermus
thermophilus) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		4 ARG A 123
TRP A  37
PHE A 221
GLU A 218
 None
 1.41A 4d33A-2e9fA:
0.0
4d33B-2e9fA:
0.0		 4d33A-2e9fA:
22.73
4d33B-2e9fA:
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.
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
 1.27A 4d33A-2incA:
0.0
4d33B-2incA:
0.0		 4d33A-2incA:
20.59
4d33B-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 VAL A 369
ARG A 320
PHE A 381
GLU A 368
 None
 1.37A 4d33A-2qluA:
0.0
4d33B-2qluA:
0.0		 4d33A-2qluA:
22.37
4d33B-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 ARG A 405
TRP A 372
PHE A 406
GLU A 370
 None
 1.49A 4d33A-2qqoA:
0.0
4d33B-2qqoA:
0.0		 4d33A-2qqoA:
23.53
4d33B-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.
2rtt CHIC

(Streptomyces
coelicolor) 		PF00553
(CBM_2) 		4 VAL A  37
TRP A  22
PHE A  41
GLU A  38
 None
 1.46A 4d33A-2rttA:
0.0
4d33B-2rttA:
0.0		 4d33A-2rttA:
15.25
4d33B-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
 1.48A 4d33A-2xpiA:
undetectable
4d33B-2xpiA:
undetectable		 4d33A-2xpiA:
21.73
4d33B-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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 ARG A 437
TRP A 485
PHE A 489
GLU A 484
 None
 0.96A 4d33A-3ckbA:
undetectable
4d33B-3ckbA:
undetectable		 4d33A-3ckbA:
21.88
4d33B-3ckbA:
21.88
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.
3q4t ACTIVIN RECEPTOR
TYPE-2A

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A 370
ARG A 321
PHE A 382
GLU A 369
 None
 1.43A 4d33A-3q4tA:
undetectable
4d33B-3q4tA:
undetectable		 4d33A-3q4tA:
23.32
4d33B-3q4tA:
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.
3u41 TWIN-ARGININE
LEADER-BINDING
PROTEIN DMSD

(Escherichia
coli) 		PF02613
(Nitrate_red_del) 		4 VAL A  90
TRP A  87
TRP A 158
PHE A 162
 GOL  A 306 (-4.0A)
None
None
None
 1.43A 4d33A-3u41A:
undetectable
4d33B-3u41A:
undetectable		 4d33A-3u41A:
21.11
4d33B-3u41A:
21.11
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
 1.08A 4d33A-3vv4A:
undetectable
4d33B-3vv4A:
undetectable		 4d33A-3vv4A:
19.96
4d33B-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.
4u3v POLYKETIDE SYNTHASE
PKSR

(Bacillus
subtilis) 		PF14765
(PS-DH) 		4 VAL A  19
TRP A 140
PHE A 144
GLU A 139
 None
 1.04A 4d33A-4u3vA:
undetectable
4d33B-4u3vA:
undetectable		 4d33A-4u3vA:
19.47
4d33B-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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		4 ARG A 644
TRP A 185
PHE A 640
GLU A 186
 None
None
None
CA  A 801 (-2.3A)
 1.27A 4d33A-5bv9A:
undetectable
4d33B-5bv9A:
undetectable		 4d33A-5bv9A:
21.37
4d33B-5bv9A:
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.
5cow PUTATIVE
UNCHARACTERIZED
PROTEIN

(Caenorhabditis
remanei) 		no annotation 4 VAL A 409
TRP A 407
PHE A 404
GLU A 410
 None
 1.31A 4d33A-5cowA:
undetectable
4d33B-5cowA:
undetectable		 4d33A-5cowA:
20.90
4d33B-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 VAL A 341
TRP A 323
TRP A 347
PHE A 290
 None
 1.08A 4d33A-5jseA:
undetectable
4d33B-5jseA:
undetectable		 4d33A-5jseA:
19.31
4d33B-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.
5lp8 E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		no annotation 4 VAL B4019
TRP B4065
PHE B4109
GLU B4033
 None
 1.24A 4d33A-5lp8B:
undetectable
4d33B-5lp8B:
undetectable		 4d33A-5lp8B:
21.31
4d33B-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.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 ARG A  84
TRP A  73
PHE A 318
GLU A 317
 None
 1.43A 4d33A-5m7rA:
undetectable
4d33B-5m7rA:
undetectable		 4d33A-5m7rA:
19.43
4d33B-5m7rA:
19.43
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
 1.06A 4d33A-5m8tA:
undetectable
4d33B-5m8tA:
undetectable		 4d33A-5m8tA:
21.75
4d33B-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 VAL A 538
ARG A 205
TRP A 599
PHE A 606
 None
 1.45A 4d33A-5no8A:
undetectable
4d33B-5no8A:
undetectable		 4d33A-5no8A:
21.87
4d33B-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 VAL A  57
TRP A  56
PHE A  49
GLU A  54
 None
 1.00A 4d33A-5vyoA:
undetectable
4d33B-5vyoA:
undetectable		 4d33A-5vyoA:
9.71
4d33B-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.
6az1 RIBOSOMAL PROTEIN
S28E
RIBOSOMAL PROTEIN S7

(Leishmania
donovani) 		no annotation 4 VAL d  29
ARG H  46
PHE H  47
GLU d  69
 None
G  12036 ( 3.6A)
None
None
 1.26A 4d33A-6az1d:
undetectable
4d33B-6az1d:
undetectable		 4d33A-6az1d:
11.42
4d33B-6az1d:
11.42