SIMILAR PATTERNS OF AMINO ACIDS FOR 5X1B_B_CHDB302

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 MET B 485
GLU B 482
THR B 481
PHE B 531
GLY B 532
 None
 1.17A 5x1bA-1k5sB:
1.4
5x1bB-1k5sB:
0.0
5x1bT-1k5sB:
0.0		 5x1bA-1k5sB:
20.53
5x1bB-1k5sB:
17.45
5x1bT-1k5sB:
12.50
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.
2xhy 6-PHOSPHO-BETA-GLUCO
SIDASE BGLA

(Escherichia
coli) 		PF00232
(Glyco_hydro_1) 		5 GLY A 381
TRP A 351
THR A 435
THR A 434
GLY A 350
 None
None
None
SO4  A1481 (-4.0A)
None
 1.28A 5x1bA-2xhyA:
0.0
5x1bB-2xhyA:
0.0
5x1bT-2xhyA:
0.0		 5x1bA-2xhyA:
20.62
5x1bB-2xhyA:
18.60
5x1bT-2xhyA:
10.37
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.
3bt7 TRNA
(URACIL-5-)-METHYLTR
ANSFERASE

(Escherichia
coli) 		PF05958
(tRNA_U5-meth_tr) 		5 MET A 179
GLU A 170
ARG A 230
PHE A 224
GLY A 222
 None
 1.34A 5x1bA-3bt7A:
0.0
5x1bB-3bt7A:
0.0
5x1bT-3bt7A:
0.0		 5x1bA-3bt7A:
20.94
5x1bB-3bt7A:
20.40
5x1bT-3bt7A:
13.92
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.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.32A 5x1bA-3ce6A:
0.2
5x1bB-3ce6A:
0.0
5x1bT-3ce6A:
0.0		 5x1bA-3ce6A:
22.59
5x1bB-3ce6A:
18.09
5x1bT-3ce6A:
12.00
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.
3cvr INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		5 MET A 402
GLY A 399
THR A 392
ARG A 375
GLY A 484
 None
 1.42A 5x1bA-3cvrA:
1.5
5x1bB-3cvrA:
0.0
5x1bT-3cvrA:
0.0		 5x1bA-3cvrA:
22.78
5x1bB-3cvrA:
18.50
5x1bT-3cvrA:
9.07
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 GLY A 153
THR A 129
ARG A 112
PHE A 104
GLY A  83
 None
 1.39A 5x1bA-3fgbA:
undetectable
5x1bB-3fgbA:
0.0
5x1bT-3fgbA:
0.0		 5x1bA-3fgbA:
20.44
5x1bB-3fgbA:
21.47
5x1bT-3fgbA:
13.33
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.
3hdj PROBABLE ORNITHINE
CYCLODEAMINASE

(Bordetella
pertussis) 		PF02423
(OCD_Mu_crystall) 		5 GLY A 285
GLU A 233
ARG A  41
ARG A  38
GLY A  53
 None
 1.24A 5x1bA-3hdjA:
0.0
5x1bB-3hdjA:
0.0
5x1bT-3hdjA:
0.0		 5x1bA-3hdjA:
20.63
5x1bB-3hdjA:
20.69
5x1bT-3hdjA:
12.86
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.
3m1a PUTATIVE
DEHYDROGENASE

(Streptomyces
avermitilis) 		PF00106
(adh_short) 		5 GLU A  97
THR A  98
THR A  99
ARG A 211
PHE A 196
 None
None
None
None
NA  A 282 ( 4.9A)
 1.07A 5x1bA-3m1aA:
0.0
5x1bB-3m1aA:
0.0
5x1bT-3m1aA:
0.0		 5x1bA-3m1aA:
20.88
5x1bB-3m1aA:
21.40
5x1bT-3m1aA:
16.15
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.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		5 GLY A 133
THR A 368
THR A 366
PHE A 211
GLY A 312
 HEM  A1500 (-3.5A)
None
None
None
None
 1.40A 5x1bA-3ut2A:
0.0
5x1bB-3ut2A:
0.0
5x1bT-3ut2A:
0.0		 5x1bA-3ut2A:
21.57
5x1bB-3ut2A:
14.81
5x1bT-3ut2A:
8.24
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 214
GLU A 201
THR A 230
THR A 231
GLY A  94
 None
 1.35A 5x1bA-3wy7A:
0.0
5x1bB-3wy7A:
undetectable
5x1bT-3wy7A:
undetectable		 5x1bA-3wy7A:
21.19
5x1bB-3wy7A:
19.49
5x1bT-3wy7A:
12.93
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.
4ak5 ANHYDRO-ALPHA-L-GALA
CTOSIDASE

(Bacteroides
plebeius) 		PF04616
(Glyco_hydro_43) 		5 MET A 264
GLY A 265
GLU A 266
THR A 269
PHE A 238
 None
 1.39A 5x1bA-4ak5A:
undetectable
5x1bB-4ak5A:
undetectable
5x1bT-4ak5A:
undetectable		 5x1bA-4ak5A:
19.51
5x1bB-4ak5A:
18.43
5x1bT-4ak5A:
13.46
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.
4cgy DNA TOPOISOMERASE
3-ALPHA

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 MET A 566
GLY A 565
THR A 544
PHE A 559
GLY A 552
 None
 1.40A 5x1bA-4cgyA:
0.4
5x1bB-4cgyA:
undetectable
5x1bT-4cgyA:
undetectable		 5x1bA-4cgyA:
20.21
5x1bB-4cgyA:
12.96
5x1bT-4cgyA:
9.36
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 597
THR A 482
THR A 483
PHE A 444
GLY A 643
 None
 1.39A 5x1bA-4cu8A:
undetectable
5x1bB-4cu8A:
undetectable
5x1bT-4cu8A:
undetectable		 5x1bA-4cu8A:
20.58
5x1bB-4cu8A:
14.29
5x1bT-4cu8A:
7.93
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 MET B 485
GLU B 482
THR B 481
PHE B 531
GLY B 532
 None
 1.22A 5x1bA-4pelB:
undetectable
5x1bB-4pelB:
undetectable
5x1bT-4pelB:
undetectable		 5x1bA-4pelB:
21.29
5x1bB-4pelB:
17.12
5x1bT-4pelB:
9.81
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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 MET A 175
THR A  67
ARG A 253
PHE A 119
GLY A 153
 None
 1.38A 5x1bA-4qdgA:
undetectable
5x1bB-4qdgA:
undetectable
5x1bT-4qdgA:
undetectable		 5x1bA-4qdgA:
20.49
5x1bB-4qdgA:
23.20
5x1bT-4qdgA:
13.97
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.
5k1b WD REPEAT-CONTAINING
PROTEIN 48

(Homo sapiens) 		PF00400
(WD40)
PF11816
(DUF3337) 		5 GLY B  49
THR B 317
THR B 316
ARG B  30
GLY B 359
 None
 1.49A 5x1bA-5k1bB:
undetectable
5x1bB-5k1bB:
undetectable
5x1bT-5k1bB:
undetectable		 5x1bA-5k1bB:
20.86
5x1bB-5k1bB:
15.62
5x1bT-5k1bB:
9.01
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		5 GLY A 104
THR A 333
THR A 331
PHE A 182
GLY A 277
 HEM  A 801 (-3.4A)
None
None
None
None
 1.44A 5x1bA-5kqiA:
0.3
5x1bB-5kqiA:
undetectable
5x1bT-5kqiA:
undetectable		 5x1bA-5kqiA:
20.60
5x1bB-5kqiA:
16.18
5x1bT-5kqiA:
8.52
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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 MET A 543
GLY A 541
GLU A 478
THR A 475
GLY A 534
 None
 1.46A 5x1bA-5u25A:
0.5
5x1bB-5u25A:
undetectable
5x1bT-5u25A:
undetectable		 5x1bA-5u25A:
20.66
5x1bB-5u25A:
15.97
5x1bT-5u25A:
9.34
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.
5whs CATALASE-PEROXIDASE

(Neurospora
crassa) 		no annotation 5 GLY A  83
THR A 333
THR A 331
PHE A 161
GLY A 277
 HEM  A 800 (-3.7A)
None
None
None
None
 1.48A 5x1bA-5whsA:
0.3
5x1bB-5whsA:
undetectable
5x1bT-5whsA:
undetectable		 5x1bA-5whsA:
undetectable
5x1bB-5whsA:
undetectable
5x1bT-5whsA:
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 GLY A 519
GLU A 518
THR A  16
THR A 252
PHE A  22
 None
 1.38A 5x1bA-5yb7A:
undetectable
5x1bB-5yb7A:
undetectable
5x1bT-5yb7A:
undetectable		 5x1bA-5yb7A:
undetectable
5x1bB-5yb7A:
undetectable
5x1bT-5yb7A:
undetectable