SIMILAR PATTERNS OF AMINO ACIDS FOR 2AOX_B_THAB401_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.
1dtd METALLOCARBOXYPEPTID
ASE INHIBITOR

(Hirudo
medicinalis) 		no annotation 4 PHE B  20
GLU B  31
GLN B  13
TRP B  42
 None
 1.47A 2aoxB-1dtdB:
undetectable		 2aoxB-1dtdB:
11.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		7 PHE A  19
PHE A  22
GLU A  28
GLN A 143
TYR A 147
TRP A 179
TRP A 183
 SAH  A 400 (-3.9A)
None
None
None
QUN  A 500 ( 3.6A)
QUN  A 500 (-3.6A)
QUN  A 500 (-4.9A)
 0.80A 2aoxB-1jqeA:
39.8		 2aoxB-1jqeA:
99.66
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.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 PHE A  16
GLN A 659
TRP A 118
TRP A 198
 None
2MD  A 799 (-3.7A)
2MO  A 801 ( 3.9A)
None
 1.21A 2aoxB-1tmoA:
2.6		 2aoxB-1tmoA:
15.40
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.
1z7z INTERCELLULAR
ADHESION MOLECULE-1

(Homo sapiens) 		PF03921
(ICAM_N) 		4 PHE I 185
GLU I 220
GLN I 183
TYR I 180
 None
 1.41A 2aoxB-1z7zI:
0.0		 2aoxB-1z7zI:
20.47
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.
2vpn PERIPLASMIC
SUBSTRATE BINDING
PROTEIN

(Halomonas
elongata) 		PF03480
(DctP) 		4 PHE A 187
GLU A 121
GLN A  15
TRP A 188
 None
4CS  A1311 ( 4.4A)
4CS  A1311 ( 4.6A)
4CS  A1311 (-3.6A)
 1.46A 2aoxB-2vpnA:
0.4		 2aoxB-2vpnA:
19.88
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.
3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Pyrobaculum
calidifontis) 		PF01370
(Epimerase) 		4 PHE A 176
GLN A 195
TYR A 199
TRP A 265
 GDU  A 801 (-4.7A)
GDU  A 801 (-4.1A)
GDU  A 801 (-4.1A)
None
 1.28A 2aoxB-3aw9A:
3.9		 2aoxB-3aw9A:
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.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		4 PHE D 363
PHE D 360
GLU D 460
TYR D 473
 None
 1.37A 2aoxB-3dzuD:
undetectable		 2aoxB-3dzuD:
23.06
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.
3ib3 COCE/NOND FAMILY
HYDROLASE

(Staphylococcus
aureus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		4 PHE A 352
GLU A 280
GLN A 473
TYR A 359
 None
None
None
CL  A 561 (-4.9A)
 1.20A 2aoxB-3ib3A:
1.6		 2aoxB-3ib3A:
18.52
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.
3l76 ASPARTOKINASE

(Synechocystis
sp. PCC 6803) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		4 PHE A 376
PHE A 463
GLN A 478
TRP A 516
 None
None
THR  A 602 (-2.5A)
None
 1.46A 2aoxB-3l76A:
3.6		 2aoxB-3l76A:
19.00
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.
3ll8 CALCINEURIN SUBUNIT
B TYPE 1
SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos)
PF13499
(EF-hand_7) 		4 PHE A  96
PHE A 125
GLU A  53
GLN B 130
 None
 1.32A 2aoxB-3ll8A:
0.5		 2aoxB-3ll8A:
21.93
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.
3lqz HLA CLASS II
HISTOCOMPATIBILITY
ANTIGEN, DP ALPHA 1
CHAIN

(Homo sapiens) 		PF00993
(MHC_II_alpha)
PF07654
(C1-set) 		4 PHE A 145
PHE A 113
GLN A  14
TRP A 168
 None
None
None
NAG  A 182 ( 4.0A)
 1.07A 2aoxB-3lqzA:
undetectable		 2aoxB-3lqzA:
18.49
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.
3nwn KINESIN-LIKE PROTEIN
KIF9

(Homo sapiens) 		PF00225
(Kinesin) 		4 PHE A 192
GLU A 188
GLN A 121
TYR A  70
 None
UNX  A1007 ( 4.8A)
None
None
 1.38A 2aoxB-3nwnA:
2.2		 2aoxB-3nwnA:
22.46
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.
3sdq ALPHA-BISABOLENE
SYNTHASE

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 PHE A 555
GLU A 782
GLN A 669
TYR A 637
 None
 1.11A 2aoxB-3sdqA:
undetectable		 2aoxB-3sdqA:
15.81
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.
3w21 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Burkholderia
ambifaria) 		no annotation 4 PHE A 272
PHE A 261
GLN A  82
TYR A  96
 None
AKG  A 302 (-4.3A)
None
None
 1.43A 2aoxB-3w21A:
undetectable		 2aoxB-3w21A:
20.51
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.
4cdp PUTATIVE
HEME/HEMOGLOBIN
TRANSPORT PROTEIN

(Escherichia
coli) 		PF05171
(HemS) 		4 PHE A 304
PHE A 210
GLU A 302
GLN A 313
 None
None
HEM  A 402 ( 4.7A)
HEM  A 402 (-3.4A)
 1.49A 2aoxB-4cdpA:
undetectable		 2aoxB-4cdpA:
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.
4e2s UREIDOGLYCINE
AMINOHYDROLASE

(Arabidopsis
thaliana) 		PF07883
(Cupin_2) 		4 PHE A 225
PHE A 204
GLU A 202
TYR A 252
 None
 1.37A 2aoxB-4e2sA:
undetectable		 2aoxB-4e2sA:
21.04
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.
4h41 PUTATIVE
ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF14488
(DUF4434)
PF17134
(DUF5109) 		4 GLU A 301
GLN A 269
TYR A 187
TRP A 153
 UNL  A 401 ( 4.2A)
UNL  A 401 ( 3.7A)
None
1PE  A 406 (-3.1A)
 1.15A 2aoxB-4h41A:
0.0		 2aoxB-4h41A:
21.19
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.
4hcx ISOCITRATE
DEHYDROGENASE [NADP]

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		4 PHE A 337
GLU A 363
GLN A 344
TYR A 202
 None
 1.49A 2aoxB-4hcxA:
undetectable		 2aoxB-4hcxA:
19.71
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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 PHE B 513
GLU B 536
GLN B 255
TRP B 531
 None
 1.38A 2aoxB-4l37B:
undetectable		 2aoxB-4l37B:
16.96
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.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV

(Bacteroides
ovatus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 PHE A 604
GLU A 575
TYR A 313
TRP A 632
 None
 0.86A 2aoxB-4q1vA:
undetectable		 2aoxB-4q1vA:
18.51
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.
5c9l PLL LECTIN

(Photorhabdus
luminescens) 		PF03984
(DUF346) 		4 PHE A  69
PHE A  41
GLU A  39
GLN A 103
 None
 1.15A 2aoxB-5c9lA:
undetectable		 2aoxB-5c9lA:
21.01
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.
5v13 AAEL008620-PA
ODORANT-BINDING
PROTEIN

(Aedes aegypti) 		no annotation 4 PHE B 172
PHE B 169
GLU B  27
GLN B  28
 None
 1.44A 2aoxB-5v13B:
undetectable		 2aoxB-5v13B:
20.56