SIMILAR PATTERNS OF AMINO ACIDS FOR 1E3V_B_DXCB801

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.
1re5 3-CARBOXY-CIS,CIS-MU
CONATE
CYCLOISOMERASE

(Pseudomonas
putida) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 GLY A 113
PHE A 236
LEU A 188
MET A  15
ALA A 121
 None
 1.39A 1e3vB-1re5A:
undetectable		 1e3vB-1re5A:
16.59
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.
1xdn RNA EDITING LIGASE
MP52

(Trypanosoma
brucei) 		PF09414
(RNA_ligase) 		5 TYR A  58
GLY A  94
PHE A 230
LEU A 240
ALA A 243
 ATP  A 501 (-4.7A)
None
None
None
ATP  A 501 ( 4.4A)
 1.31A 1e3vB-1xdnA:
0.0		 1e3vB-1xdnA:
19.49
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.
2gep SULFITE REDUCTASE
HEMOPROTEIN

(Escherichia
coli) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 PHE A 122
GLY A 110
LEU A 380
MET A 136
ALA A  98
 None
 1.37A 1e3vB-2gepA:
0.0		 1e3vB-2gepA:
14.32
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.
2i79 ACETYLTRANSFERASE,
GNAT FAMILY

(Streptococcus
pneumoniae) 		PF00583
(Acetyltransf_1) 		5 PHE A 144
TYR A 139
GLY A 168
LEU A 121
ALA A 111
 None
ACO  A 402 (-4.7A)
None
None
None
 1.47A 1e3vB-2i79A:
0.3		 1e3vB-2i79A:
21.97
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.
3gyr PHENOXAZINONE
SYNTHASE

(Streptomyces
antibioticus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ASP A 202
TYR A  88
GLY A 215
LEU A 154
ALA A 204
 None
 1.41A 1e3vB-3gyrA:
0.0		 1e3vB-3gyrA:
12.97
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus;
Thermus
thermophilus) 		PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S)
PF01257
(2Fe-2S_thioredx) 		5 TYR 1 133
PHE 2  66
TYR 2  67
LEU 1 402
ALA 1 187
 None
None
None
SF4  1 439 ( 3.3A)
None
 1.41A 1e3vB-3i9v1:
0.0		 1e3vB-3i9v1:
16.01
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.
3icq EXPORTIN-T

(Schizosaccharomyces
pombe) 		PF08389
(Xpo1) 		5 TYR T 537
LEU T 584
MET T 514
ALA T 555
TRP T 556
 None
 1.43A 1e3vB-3icqT:
undetectable		 1e3vB-3icqT:
9.23
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.
3m8y PHOSPHOPENTOMUTASE

(Bacillus cereus) 		PF01676
(Metalloenzyme) 		5 PHE A 366
GLY A  88
PHE A  26
ASP A  22
ALA A  20
 None
TPO  A  85 ( 3.8A)
None
None
None
 1.09A 1e3vB-3m8yA:
0.0		 1e3vB-3m8yA:
13.51
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.
3opb SWI5-DEPENDENT HO
EXPRESSION PROTEIN 4

(Saccharomyces
cerevisiae) 		PF11701
(UNC45-central) 		5 PHE A 119
GLY A 117
PHE A  44
LEU A  75
ALA A 100
 None
 1.49A 1e3vB-3opbA:
undetectable		 1e3vB-3opbA:
10.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3owu STEROID
DELTA-ISOMERASE

(Pseudomonas
putida) 		PF12680
(SnoaL_2) 		9 TYR A  16
PHE A  56
TYR A  57
GLY A  60
LEU A  99
ASP A 103
MET A 116
ALA A 118
TRP A 120
 EQU  A 200 (-4.5A)
None
None
EQU  A 200 (-4.5A)
None
EQU  A 200 (-2.9A)
EQU  A 200 (-4.9A)
EQU  A 200 ( 4.1A)
EQU  A 200 (-4.0A)
 0.36A 1e3vB-3owuA:
24.3		 1e3vB-3owuA:
96.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3owu STEROID
DELTA-ISOMERASE

(Pseudomonas
putida) 		PF12680
(SnoaL_2) 		5 TYR A  57
LEU A  99
MET A 116
ALA A 118
TRP A 120
 None
None
EQU  A 200 (-4.9A)
EQU  A 200 ( 4.1A)
EQU  A 200 (-4.0A)
 1.41A 1e3vB-3owuA:
24.3		 1e3vB-3owuA:
96.18
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.
3q1x SERINE
ACETYLTRANSFERASE

(Entamoeba
histolytica) 		PF00132
(Hexapep) 		5 ASP A 114
PHE A 177
GLY A 129
LEU A 122
ALA A 116
 None
 1.48A 1e3vB-3q1xA:
undetectable		 1e3vB-3q1xA:
17.72
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.
3qz4 ENDO-1,4-BETA-XYLANA
SE D

(Bacteroides
thetaiotaomicron) 		PF04616
(Glyco_hydro_43) 		5 ASP A  39
TYR A 243
GLY A 308
ASP A 163
ALA A 101
 EPE  A 338 (-2.7A)
None
None
EPE  A 338 ( 4.6A)
UNX  A 334 ( 4.8A)
 0.95A 1e3vB-3qz4A:
undetectable		 1e3vB-3qz4A:
14.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t8u STEROID
DELTA-ISOMERASE

(Comamonas
testosteroni) 		PF12680
(SnoaL_2) 		5 ASP A  38
PHE A  54
PHE A  82
MET A 112
ALA A 114
 None
 0.78A 1e3vB-3t8uA:
21.3		 1e3vB-3t8uA:
34.85
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 TYR A 582
ASP A 586
GLY A 591
LEU A 610
ALA A 585
 None
 1.05A 1e3vB-4sliA:
undetectable		 1e3vB-4sliA:
12.36
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.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		5 TYR A 546
ASP A 550
GLY A 555
LEU A 574
ALA A 549
 None
 1.08A 1e3vB-4x6kA:
undetectable		 1e3vB-4x6kA:
12.16
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.
5lq8 PUTATIVE PHOSPHONATE
BINDING PROTEIN FOR
ABC TRANSPORTER

(Prochlorococcus
marinus) 		no annotation 5 TYR A 260
GLY A  68
LEU A  60
ALA A  82
TRP A 208
 None
 1.23A 1e3vB-5lq8A:
undetectable		 1e3vB-5lq8A:
undetectable
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.
5lst ATP-DEPENDENT DNA
HELICASE Q4

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 PHE A1108
TYR A1107
GLY A1105
PHE A1077
LEU A 676
 None
 0.94A 1e3vB-5lstA:
undetectable		 1e3vB-5lstA:
11.90
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.
5tz6 CURJ

(Moorea
producens) 		PF14765
(PS-DH) 		5 PHE A1232
GLY A1234
PHE A 978
ASP A1156
ALA A 989
 None
None
7OD  A1301 (-4.5A)
7OD  A1301 (-2.1A)
None
 1.30A 1e3vB-5tz6A:
undetectable		 1e3vB-5tz6A:
17.21
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.
5ukw GLUCOSE-6-PHOSPHATE
1-DEHYDROGENASE

(Homo sapiens) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		5 TYR A 503
LEU A 362
ASP A 493
MET A 496
ALA A 492
 None
 1.28A 1e3vB-5ukwA:
undetectable		 1e3vB-5ukwA:
15.02
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.
5v6n PROTON-GATED ION
CHANNEL

(Gloeobacter
violaceus) 		no annotation 5 TYR C 197
ASP C  32
PHE C 116
TYR C 119
LEU C 157
 None
 1.16A 1e3vB-5v6nC:
undetectable		 1e3vB-5v6nC:
18.71
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.
5ze8 CYTOCHROME C552

(Thermochromatium
tepidum) 		no annotation 5 ASP A  82
TYR A  76
GLY A  73
MET A  88
ALA A  85
 None
 1.49A 1e3vB-5ze8A:
undetectable		 1e3vB-5ze8A:
undetectable