SIMILAR PATTERNS OF AMINO ACIDS FOR 4D33_B_H4BB600_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.
1kex NEUROPILIN-1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		4 TRP A  97
PHE A 131
GLU A  95
ARG A 130
 None
 1.45A 4d33A-1kexA:
0.0
4d33B-1kexA:
0.0		 4d33A-1kexA:
15.51
4d33B-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
 1.32A 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.
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
 1.36A 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 PHE A 123
GLU A  30
VAL A  27
TRP A  15
 None
 1.38A 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.
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
 1.27A 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 PHE A 381
GLU A 368
VAL A 369
ARG A 320
 None
 1.38A 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 TRP A 372
PHE A 406
GLU A 370
ARG A 405
 None
 1.46A 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 PHE A  41
GLU A  38
VAL A  37
TRP A  22
 None
 1.48A 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 PHE A 321
VAL A 505
ARG B   4
TRP A 515
 None
 1.48A 4d33A-2xpiA:
0.7
4d33B-2xpiA:
0.0		 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 TRP A 485
PHE A 489
GLU A 484
ARG A 437
 None
 0.95A 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 PHE A 382
GLU A 369
VAL A 370
ARG A 321
 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.
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)
 1.09A 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.
4o6x ANKYRIN-3

(Homo sapiens) 		PF00531
(Death) 		4 PHE A  28
GLU A  25
VAL A  71
ARG A  58
 None
 1.20A 4d33A-4o6xA:
undetectable
4d33B-4o6xA:
undetectable		 4d33A-4o6xA:
13.54
4d33B-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.
4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN

(Nitratireductor
pacificus) 		PF12838
(Fer4_7)
PF13486
(Dehalogenase) 		4 TRP A 613
PHE A  89
GLU A 406
ARG A 424
 None
 1.48A 4d33A-4rasA:
undetectable
4d33B-4rasA:
undetectable		 4d33A-4rasA:
20.66
4d33B-4rasA:
20.66
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
 1.06A 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 TRP A 185
PHE A 640
GLU A 186
ARG A 644
 None
None
CA  A 801 (-2.3A)
None
 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 TRP A 407
PHE A 404
GLU A 410
VAL A 409
 None
 1.32A 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 TRP A 347
PHE A 290
VAL A 341
TRP A 323
 None
 1.06A 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 PHE B4109
GLU B4033
VAL B4019
TRP B4065
 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 TRP A  73
PHE A 318
GLU A 317
ARG A  84
 None
 1.45A 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 TRP A 414
PHE A 411
GLU A 413
ARG A 225
 None
 1.09A 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 TRP A 599
PHE A 606
VAL A 538
ARG A 205
 None
 1.48A 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.
6az1 RIBOSOMAL PROTEIN
S28E
RIBOSOMAL PROTEIN S7

(Leishmania
donovani) 		no annotation 4 PHE H  47
GLU d  69
VAL d  29
ARG H  46
 None
None
None
G  12036 ( 3.6A)
 1.24A 4d33A-6az1H:
undetectable
4d33B-6az1H:
undetectable		 4d33A-6az1H:
8.64
4d33B-6az1H:
8.64