SIMILAR PATTERNS OF AMINO ACIDS FOR 2JJ8_D_AZZD1211

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.
1iqp RFCS

(Pyrococcus
furiosus) 		PF00004
(AAA)
PF08542
(Rep_fac_C) 		5 GLU A 237
GLN A 275
ARG A 235
ALA A 234
PHE A 228
 None
 1.27A 2jj8D-1iqpA:
2.0		 2jj8D-1iqpA:
23.38
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.
1s40 CELL DIVISION
CONTROL PROTEIN 13

(Saccharomyces
cerevisiae) 		PF02765
(POT1) 		5 ILE A 120
VAL A 139
MET A  84
ALA A  82
PHE A  49
 None
 1.24A 2jj8D-1s40A:
undetectable		 2jj8D-1s40A:
21.63
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.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		5 GLU A  83
TRP A  88
GLN A 125
ARG A 163
ALA A 168
 TMP  A 500 (-2.7A)
None
TMP  A 500 (-3.0A)
TMP  A 500 (-3.3A)
TMP  A 500 (-3.5A)
 1.03A 2jj8D-1vtkA:
14.0		 2jj8D-1vtkA:
22.32
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.
1wxq GTP-BINDING PROTEIN

(Pyrococcus
horikoshii) 		PF01926
(MMR_HSR1)
PF02824
(TGS)
PF08438
(MMR_HSR1_C) 		5 ILE A 157
GLU A 165
PHE A 206
VAL A 182
ALA A 169
 None
 1.44A 2jj8D-1wxqA:
0.4		 2jj8D-1wxqA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		7 ILE A  30
GLU A  53
TRP A  58
PHE A  96
GLN A  97
ARG A 128
PHE A 137
 DCZ  A 302 ( 4.3A)
DCZ  A 302 (-3.0A)
None
DCZ  A 302 (-4.6A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.8A)
 0.68A 2jj8D-2a30A:
24.1		 2jj8D-2a30A:
32.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		9 ILE A  29
TRP A  57
PHE A  80
GLN A  81
VAL A  84
MET A  88
ARG A 105
ALA A 110
PHE A 114
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-4.8A)
None
TTP  A1210 (-3.7A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
 0.68A 2jj8D-2jcsA:
30.7		 2jj8D-2jcsA:
99.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		6 ILE A  47
TRP A  75
PHE A 110
GLN A 111
ARG A 142
PHE A 151
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
 0.76A 2jj8D-2ocpA:
24.0		 2jj8D-2ocpA:
33.33
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.
3l8k DIHYDROLIPOYL
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 185
PHE A  74
GLN A  78
VAL A  77
PHE A 160
 None
 1.27A 2jj8D-3l8kA:
0.0		 2jj8D-3l8kA:
18.85
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.
3qp9 TYPE I POLYKETIDE
SYNTHASE PIKAII

(Streptomyces
venezuelae) 		PF08659
(KR) 		5 ILE A  11
TRP A 472
PHE A 475
VAL A 470
ALA A 468
 None
 1.39A 2jj8D-3qp9A:
0.7		 2jj8D-3qp9A:
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.
4e2o ALPHA-AMYLASE

(Geobacillus
thermoleovorans) 		PF00128
(Alpha-amylase) 		5 ILE A 106
TRP A 227
PHE A 226
GLN A 189
VAL A 222
 None
None
None
CA  A 501 ( 4.8A)
CA  A 501 ( 4.8A)
 1.45A 2jj8D-4e2oA:
0.0		 2jj8D-4e2oA:
17.62
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.
4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Thermobifida
fusca) 		PF02011
(Glyco_hydro_48) 		5 ILE A  38
GLU A 545
GLN A 623
VAL A 499
ALA A 542
 None
 1.45A 2jj8D-4jjjA:
undetectable		 2jj8D-4jjjA:
14.38
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.
4nur PSDSA

(Pseudomonas sp.
S9) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 ILE A 127
TRP A 372
VAL A 133
ARG A 141
PHE A 131
 None
 1.48A 2jj8D-4nurA:
undetectable		 2jj8D-4nurA:
17.85
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.
4xnv P2Y PURINOCEPTOR 1,
RUBREDOXIN, P2Y
PURINOCEPTOR 1

(Clostridium
pasteurianum;
Homo sapiens) 		PF00001
(7tm_1)
PF00301
(Rubredoxin) 		5 PHE A 298
VAL A 302
ARG A 285
ALA A 286
PHE A 290
 Y01  A1103 ( 4.9A)
Y01  A1103 ( 4.3A)
OLC  A1112 (-4.8A)
None
OLC  A1106 ( 4.9A)
 1.04A 2jj8D-4xnvA:
undetectable		 2jj8D-4xnvA:
16.78
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.
5cho FLAVIN REDUCTASE

(uncultured
bacterium) 		PF01613
(Flavin_Reduct) 		5 ILE A 162
PHE A  96
VAL A  51
MET A  61
ALA A  63
 None
None
None
FAD  A 201 (-4.7A)
FAD  A 201 (-3.8A)
 1.46A 2jj8D-5choA:
undetectable		 2jj8D-5choA:
21.61
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.
5g56 CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase)
PF03422
(CBM_6) 		5 ILE A 131
VAL A 196
MET A 192
ALA A 147
PHE A 150
 None
 1.21A 2jj8D-5g56A:
undetectable		 2jj8D-5g56A:
13.26
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.
5m2n ELONGATOR COMPLEX
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ILE A  12
VAL A  65
MET A  74
ALA A  31
PHE A  32
 None
 1.20A 2jj8D-5m2nA:
undetectable		 2jj8D-5m2nA:
14.52
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.
5uao TRYPTOPHANE-5-HALOGE
NASE

(Microbispora
sp. ATCC
PTA-5024) 		PF04820
(Trp_halogenase) 		5 GLU A 141
TRP A 488
VAL A 127
ARG A 496
ALA A 495
 None
 1.33A 2jj8D-5uaoA:
undetectable		 2jj8D-5uaoA:
19.07