SIMILAR PATTERNS OF AMINO ACIDS FOR 2Y69_T_CHDT1085

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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 MET A 548
GLY A 546
GLU A 483
THR A 480
GLY A 539
 None
 1.49A 2y69A-1bhyA:
0.0
2y69B-1bhyA:
0.0
2y69T-1bhyA:
0.0		 2y69A-1bhyA:
20.07
2y69B-1bhyA:
18.46
2y69T-1bhyA:
11.41
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
 1.19A 2y69A-1k5sB:
0.0
2y69B-1k5sB:
0.0
2y69T-1k5sB:
0.0		 2y69A-1k5sB:
20.53
2y69B-1k5sB:
17.45
2y69T-1k5sB:
10.62
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.
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
 1.36A 2y69A-2xhyA:
0.1
2y69B-2xhyA:
0.0
2y69T-2xhyA:
0.0		 2y69A-2xhyA:
20.62
2y69B-2xhyA:
18.60
2y69T-2xhyA:
11.06
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.
3al8 SEMAPHORIN-6A

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI) 		5 MET A 488
GLY A 489
THR A 300
ARG A 486
GLY A 441
 None
 1.29A 2y69A-3al8A:
undetectable
2y69B-3al8A:
0.0
2y69T-3al8A:
0.0		 2y69A-3al8A:
21.01
2y69B-3al8A:
17.63
2y69T-3al8A:
9.71
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.
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
 1.38A 2y69A-3bt7A:
0.0
2y69B-3bt7A:
0.0
2y69T-3bt7A:
0.0		 2y69A-3bt7A:
20.94
2y69B-3bt7A:
20.40
2y69T-3bt7A:
14.98
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
 1.28A 2y69A-3ce6A:
0.0
2y69B-3ce6A:
0.0
2y69T-3ce6A:
0.0		 2y69A-3ce6A:
22.59
2y69B-3ce6A:
18.09
2y69T-3ce6A:
12.61
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.
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
 1.44A 2y69A-3cvrA:
2.0
2y69B-3cvrA:
0.0
2y69T-3cvrA:
0.0		 2y69A-3cvrA:
22.78
2y69B-3cvrA:
18.50
2y69T-3cvrA:
10.14
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
 1.32A 2y69A-3wy7A:
0.0
2y69B-3wy7A:
0.0
2y69T-3wy7A:
0.0		 2y69A-3wy7A:
21.19
2y69B-3wy7A:
19.49
2y69T-3wy7A:
13.86
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.
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
 1.41A 2y69A-4cgyA:
0.0
2y69B-4cgyA:
0.0
2y69T-4cgyA:
0.0		 2y69A-4cgyA:
20.21
2y69B-4cgyA:
12.96
2y69T-4cgyA:
10.27
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 2y69A-4cu8A:
undetectable
2y69B-4cu8A:
undetectable
2y69T-4cu8A:
undetectable		 2y69A-4cu8A:
20.58
2y69B-4cu8A:
14.29
2y69T-4cu8A:
7.98
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
 1.21A 2y69A-4pelB:
0.0
2y69B-4pelB:
undetectable
2y69T-4pelB:
undetectable		 2y69A-4pelB:
21.29
2y69B-4pelB:
17.12
2y69T-4pelB:
11.15
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.
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 2y69A-4qdgA:
undetectable
2y69B-4qdgA:
undetectable
2y69T-4qdgA:
undetectable		 2y69A-4qdgA:
20.49
2y69B-4qdgA:
23.20
2y69T-4qdgA:
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.
5gq0 EPITHIOSPECIFIER
PROTEIN

(Arabidopsis
thaliana) 		no annotation 5 GLY B  39
THR B  73
ARG B  94
PHE B 100
GLY B  92
 None
 1.29A 2y69A-5gq0B:
undetectable
2y69B-5gq0B:
undetectable
2y69T-5gq0B:
undetectable		 2y69A-5gq0B:
20.15
2y69B-5gq0B:
18.62
2y69T-5gq0B:
13.84
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
 1.48A 2y69A-5k1bB:
undetectable
2y69B-5k1bB:
undetectable
2y69T-5k1bB:
undetectable		 2y69A-5k1bB:
20.86
2y69B-5k1bB:
15.62
2y69T-5k1bB:
9.31
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
 1.47A 2y69A-5u25A:
0.8
2y69B-5u25A:
undetectable
2y69T-5u25A:
undetectable		 2y69A-5u25A:
20.66
2y69B-5u25A:
15.97
2y69T-5u25A:
9.47
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.
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
 1.46A 2y69A-5yb7A:
undetectable
2y69B-5yb7A:
undetectable
2y69T-5yb7A:
undetectable		 2y69A-5yb7A:
undetectable
2y69B-5yb7A:
undetectable
2y69T-5yb7A:
undetectable