SIMILAR PATTERNS OF AMINO ACIDS FOR 5X1B_O_CHDO302

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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		5 PHE B 531
GLY B 532
MET B 485
GLU B 482
THR B 481
 None
 1.11A 5x1bG-1k5sB:
0.0
5x1bN-1k5sB:
0.0
5x1bO-1k5sB:
0.0		 5x1bG-1k5sB:
12.50
5x1bN-1k5sB:
20.53
5x1bO-1k5sB:
17.45
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.
1oa1 HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
vulgaris) 		PF03063
(Prismane) 		5 GLY A 515
GLY A 408
GLN A 410
GLU A   8
THR A   9
 None
None
None
None
SF4  A1554 (-3.9A)
 1.09A 5x1bG-1oa1A:
0.0
5x1bN-1oa1A:
0.0
5x1bO-1oa1A:
0.0		 5x1bG-1oa1A:
12.11
5x1bN-1oa1A:
25.04
5x1bO-1oa1A:
16.91
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.
1yns E-1 ENZYME

(Homo sapiens) 		no annotation 5 GLY A 155
GLY A 115
GLN A 114
THR A 107
THR A 108
 HPO  A1261 ( 3.8A)
None
None
None
None
 1.24A 5x1bG-1ynsA:
0.0
5x1bN-1ynsA:
0.0
5x1bO-1ynsA:
0.0		 5x1bG-1ynsA:
13.79
5x1bN-1ynsA:
17.94
5x1bO-1ynsA:
20.92
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.
2xhy 6-PHOSPHO-BETA-GLUCO
SIDASE BGLA

(Escherichia
coli) 		PF00232
(Glyco_hydro_1) 		5 GLY A 350
GLY A 381
TRP A 351
THR A 435
THR A 434
 None
None
None
None
SO4  A1481 (-4.0A)
 1.37A 5x1bG-2xhyA:
0.0
5x1bN-2xhyA:
0.0
5x1bO-2xhyA:
0.0		 5x1bG-2xhyA:
10.37
5x1bN-2xhyA:
20.62
5x1bO-2xhyA:
18.60
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.
3bt7 TRNA
(URACIL-5-)-METHYLTR
ANSFERASE

(Escherichia
coli) 		PF05958
(tRNA_U5-meth_tr) 		5 ARG A 230
PHE A 224
GLY A 222
MET A 179
GLU A 170
 None
 1.35A 5x1bG-3bt7A:
0.0
5x1bN-3bt7A:
0.0
5x1bO-3bt7A:
0.0		 5x1bG-3bt7A:
13.92
5x1bN-3bt7A:
20.94
5x1bO-3bt7A:
20.40
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.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.29A 5x1bG-3ce6A:
0.0
5x1bN-3ce6A:
0.0
5x1bO-3ce6A:
0.0		 5x1bG-3ce6A:
12.00
5x1bN-3ce6A:
22.59
5x1bO-3ce6A:
18.09
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.
3cvr INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		5 ARG A 375
GLY A 484
MET A 402
GLY A 399
THR A 392
 None
 1.41A 5x1bG-3cvrA:
0.0
5x1bN-3cvrA:
0.4
5x1bO-3cvrA:
0.0		 5x1bG-3cvrA:
9.07
5x1bN-3cvrA:
22.78
5x1bO-3cvrA:
18.50
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.
3ew2 RHIZAVIDIN

(Rhizobium etli) 		PF01382
(Avidin) 		5 PHE A  65
GLY A  87
GLN A  90
GLU A  97
THR A  96
 None
 1.36A 5x1bG-3ew2A:
0.0
5x1bN-3ew2A:
undetectable
5x1bO-3ew2A:
0.0		 5x1bG-3ew2A:
18.98
5x1bN-3ew2A:
13.65
5x1bO-3ew2A:
20.72
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.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN

(Bacteroides
thetaiotaomicron) 		PF10282
(Lactonase) 		5 ARG A 112
PHE A 104
GLY A  83
GLY A 153
THR A 129
 None
 1.34A 5x1bG-3fgbA:
0.0
5x1bN-3fgbA:
undetectable
5x1bO-3fgbA:
0.0		 5x1bG-3fgbA:
13.33
5x1bN-3fgbA:
20.44
5x1bO-3fgbA:
21.47
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.
3jb9 SMALL NUCLEAR
RIBONUCLEOPROTEIN-AS
SOCIATED PROTEIN B
SMALL NUCLEAR
RIBONUCLEOPROTEIN SM
D1

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF01423
(LSM)
PF01423
(LSM) 		5 PHE E  34
GLY E  72
GLY F  62
GLN F  35
THR E   3
 U  C  99 ( 3.0A)
U  C  99 ( 3.5A)
U  C 100 ( 4.2A)
U  C 100 ( 4.5A)
U  C  90 ( 3.6A)
 0.95A 5x1bG-3jb9E:
undetectable
5x1bN-3jb9E:
undetectable
5x1bO-3jb9E:
undetectable		 5x1bG-3jb9E:
21.48
5x1bN-3jb9E:
14.87
5x1bO-3jb9E:
23.04
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.
3nio GUANIDINOBUTYRASE

(Pseudomonas
aeruginosa) 		PF00491
(Arginase) 		5 ARG A  65
ARG A  62
PHE A  59
GLY A 126
THR A  51
 None
 1.13A 5x1bG-3nioA:
undetectable
5x1bN-3nioA:
0.0
5x1bO-3nioA:
undetectable		 5x1bG-3nioA:
14.20
5x1bN-3nioA:
21.00
5x1bO-3nioA:
22.47
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.
3nio GUANIDINOBUTYRASE

(Pseudomonas
aeruginosa) 		PF00491
(Arginase) 		5 ARG A  65
ARG A  62
PHE A  59
GLY A 127
THR A  51
 None
 1.29A 5x1bG-3nioA:
undetectable
5x1bN-3nioA:
0.0
5x1bO-3nioA:
undetectable		 5x1bG-3nioA:
14.20
5x1bN-3nioA:
21.00
5x1bO-3nioA:
22.47
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.
3pxn KINESIN-LIKE PROTEIN
NOD

(Drosophila
melanogaster) 		PF00225
(Kinesin) 		5 GLY A  92
GLY A 229
GLN A  88
THR A 307
THR A 310
 ADP  A 401 (-3.2A)
None
None
None
None
 1.23A 5x1bG-3pxnA:
undetectable
5x1bN-3pxnA:
0.0
5x1bO-3pxnA:
undetectable		 5x1bG-3pxnA:
15.44
5x1bN-3pxnA:
20.31
5x1bO-3pxnA:
22.22
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.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 GLY A  94
GLY A 214
GLU A 201
THR A 230
THR A 231
 None
 1.37A 5x1bG-3wy7A:
undetectable
5x1bN-3wy7A:
undetectable
5x1bO-3wy7A:
undetectable		 5x1bG-3wy7A:
12.93
5x1bN-3wy7A:
21.19
5x1bO-3wy7A:
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.
3zcw KINESIN-LIKE PROTEIN
KIF11

(Homo sapiens) 		PF00225
(Kinesin) 		5 GLY A 110
GLY A 268
GLN A 106
THR A 346
THR A 349
 ADP  A1364 (-3.1A)
None
None
None
None
 1.27A 5x1bG-3zcwA:
undetectable
5x1bN-3zcwA:
0.5
5x1bO-3zcwA:
undetectable		 5x1bG-3zcwA:
13.51
5x1bN-3zcwA:
19.81
5x1bO-3zcwA:
20.79
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.
4cgy DNA TOPOISOMERASE
3-ALPHA

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 PHE A 559
GLY A 552
MET A 566
GLY A 565
THR A 544
 None
 1.37A 5x1bG-4cgyA:
undetectable
5x1bN-4cgyA:
1.7
5x1bO-4cgyA:
undetectable		 5x1bG-4cgyA:
9.36
5x1bN-4cgyA:
20.21
5x1bO-4cgyA:
12.96
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		6 PHE A 444
GLY A 643
GLY A 597
GLN A 503
GLU A 505
THR A 482
 None
 1.42A 5x1bG-4cu8A:
undetectable
5x1bN-4cu8A:
undetectable
5x1bO-4cu8A:
undetectable		 5x1bG-4cu8A:
7.93
5x1bN-4cu8A:
20.58
5x1bO-4cu8A:
14.29
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 PHE A 444
GLY A 643
GLY A 597
THR A 482
THR A 483
 None
 1.39A 5x1bG-4cu8A:
undetectable
5x1bN-4cu8A:
undetectable
5x1bO-4cu8A:
undetectable		 5x1bG-4cu8A:
7.93
5x1bN-4cu8A:
20.58
5x1bO-4cu8A:
14.29
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.
4h19 MANDELATE RACEMASE

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A  99
ARG A  90
GLY A 101
THR A 280
THR A  49
 None
GOL  A 409 (-4.0A)
CL  A 403 ( 4.0A)
None
None
 1.49A 5x1bG-4h19A:
undetectable
5x1bN-4h19A:
undetectable
5x1bO-4h19A:
undetectable		 5x1bG-4h19A:
13.11
5x1bN-4h19A:
21.11
5x1bO-4h19A:
21.39
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.
4lls GERANYLTRANSTRANSFER
ASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		5 ARG A  44
GLY A 184
MET A 149
GLY A 148
THR A 172
 IPE  A 301 (-3.1A)
None
GST  A 302 ( 4.1A)
None
None
 1.41A 5x1bG-4llsA:
undetectable
5x1bN-4llsA:
1.6
5x1bO-4llsA:
undetectable		 5x1bG-4llsA:
14.29
5x1bN-4llsA:
20.31
5x1bO-4llsA:
22.93
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.
4pel PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase) 		5 PHE B 531
GLY B 532
MET B 485
GLU B 482
THR B 481
 None
 1.25A 5x1bG-4pelB:
undetectable
5x1bN-4pelB:
undetectable
5x1bO-4pelB:
undetectable		 5x1bG-4pelB:
9.81
5x1bN-4pelB:
21.29
5x1bO-4pelB:
17.12
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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 ARG A 253
PHE A 119
GLY A 153
MET A 175
THR A  67
 None
 1.40A 5x1bG-4qdgA:
undetectable
5x1bN-4qdgA:
undetectable
5x1bO-4qdgA:
undetectable		 5x1bG-4qdgA:
13.97
5x1bN-4qdgA:
20.49
5x1bO-4qdgA:
23.20
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.
4v1u LYND

(Lyngbya
aestuarii) 		PF02624
(YcaO) 		5 ARG A 384
GLY A 420
GLN A 643
GLU A 640
THR A 639
 None
None
None
CA  A1777 (-2.7A)
None
 1.38A 5x1bG-4v1uA:
undetectable
5x1bN-4v1uA:
undetectable
5x1bO-4v1uA:
undetectable		 5x1bG-4v1uA:
7.48
5x1bN-4v1uA:
22.14
5x1bO-4v1uA:
14.64
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.
5hhl RETRON-TYPE REVERSE
TRANSCRIPTASE

([Eubacterium]
rectale) 		PF00078
(RVT_1) 		5 GLY A 178
GLY A 195
GLN A  91
THR A  86
THR A  84
 None
 1.50A 5x1bG-5hhlA:
undetectable
5x1bN-5hhlA:
0.3
5x1bO-5hhlA:
undetectable		 5x1bG-5hhlA:
15.17
5x1bN-5hhlA:
19.66
5x1bO-5hhlA:
22.55
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		5 PHE A 182
GLY A 277
GLY A 104
THR A 333
THR A 331
 None
None
HEM  A 801 (-3.4A)
None
None
 1.48A 5x1bG-5kqiA:
undetectable
5x1bN-5kqiA:
0.4
5x1bO-5kqiA:
undetectable		 5x1bG-5kqiA:
8.52
5x1bN-5kqiA:
20.60
5x1bO-5kqiA:
16.18
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.
5mlv -

(-) 		no annotation 5 GLY G 197
GLY G 363
GLN G 193
THR G 441
THR G 444
 ANP  G 502 (-3.2A)
ANP  G 502 ( 4.7A)
None
None
None
 1.45A 5x1bG-5mlvG:
undetectable
5x1bN-5mlvG:
0.3
5x1bO-5mlvG:
undetectable		 5x1bG-5mlvG:
undetectable
5x1bN-5mlvG:
undetectable
5x1bO-5mlvG:
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.
5y4f ANKYRIN-2

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5) 		5 GLY A 694
GLY A 661
GLN A 660
GLU A 840
THR A 839
 None
 1.11A 5x1bG-5y4fA:
undetectable
5x1bN-5y4fA:
undetectable
5x1bO-5y4fA:
undetectable		 5x1bG-5y4fA:
10.57
5x1bN-5y4fA:
23.55
5x1bO-5y4fA:
18.16
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.
5y50 PROTEIN
DETOXIFICATION 14

(Arabidopsis
thaliana) 		no annotation 5 PHE A  78
GLY A  77
GLY A  83
GLN A 164
THR A 162
 None
 1.44A 5x1bG-5y50A:
undetectable
5x1bN-5y50A:
0.5
5x1bO-5y50A:
undetectable		 5x1bG-5y50A:
undetectable
5x1bN-5y50A:
undetectable
5x1bO-5y50A:
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.
5yb7 L-AMINO ACID
OXIDASE/MONOOXYGENAS
E

(Pseudomonas sp.
AIU 813) 		no annotation 5 PHE A  22
GLY A 519
GLU A 518
THR A  16
THR A 252
 None
 1.42A 5x1bG-5yb7A:
undetectable
5x1bN-5yb7A:
undetectable
5x1bO-5yb7A:
undetectable		 5x1bG-5yb7A:
undetectable
5x1bN-5yb7A:
undetectable
5x1bO-5yb7A:
undetectable