SIMILAR PATTERNS OF AMINO ACIDS FOR 3X2Q_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.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 ARG C 426
GLY C 432
MET C 478
GLY C 480
THR C 329
 None
None
None
None
HEM  A 605 (-4.4A)
 1.50A 3x2qG-1d7wC:
0.0
3x2qN-1d7wC:
0.0
3x2qO-1d7wC:
0.0		 3x2qG-1d7wC:
11.19
3x2qN-1d7wC:
21.64
3x2qO-1d7wC:
18.12
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.
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
 1.18A 3x2qG-1k5sB:
0.0
3x2qN-1k5sB:
0.9
3x2qO-1k5sB:
0.0		 3x2qG-1k5sB:
12.50
3x2qN-1k5sB:
20.53
3x2qO-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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 GLY A 174
GLY A 181
GLU A 112
THR A 117
THR A 113
 None
 1.43A 3x2qG-2quaA:
0.0
3x2qN-2quaA:
0.0
3x2qO-2quaA:
0.5		 3x2qG-2quaA:
9.09
3x2qN-2quaA:
21.91
3x2qO-2quaA:
15.42
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.
2v5d O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		5 ARG A 198
GLY A 187
GLY A 190
GLU A 432
THR A 400
 None
 1.45A 3x2qG-2v5dA:
0.0
3x2qN-2v5dA:
2.1
3x2qO-2v5dA:
0.0		 3x2qG-2v5dA:
10.70
3x2qN-2v5dA:
22.81
3x2qO-2v5dA:
16.55
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.
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)
 1.34A 3x2qG-2xhyA:
0.0
3x2qN-2xhyA:
0.1
3x2qO-2xhyA:
0.0		 3x2qG-2xhyA:
10.37
3x2qN-2xhyA:
20.62
3x2qO-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
 1.38A 3x2qG-3bt7A:
0.0
3x2qN-3bt7A:
0.0
3x2qO-3bt7A:
0.0		 3x2qG-3bt7A:
13.92
3x2qN-3bt7A:
20.94
3x2qO-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
 1.42A 3x2qG-3ce6A:
0.0
3x2qN-3ce6A:
0.0
3x2qO-3ce6A:
0.0		 3x2qG-3ce6A:
12.00
3x2qN-3ce6A:
22.59
3x2qO-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 3x2qG-3cvrA:
0.0
3x2qN-3cvrA:
0.0
3x2qO-3cvrA:
0.0		 3x2qG-3cvrA:
9.07
3x2qN-3cvrA:
22.78
3x2qO-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.
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 3x2qG-3fgbA:
0.0
3x2qN-3fgbA:
undetectable
3x2qO-3fgbA:
0.0		 3x2qG-3fgbA:
13.33
3x2qN-3fgbA:
20.44
3x2qO-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.
3hdj PROBABLE ORNITHINE
CYCLODEAMINASE

(Bordetella
pertussis) 		PF02423
(OCD_Mu_crystall) 		5 ARG A  41
ARG A  38
GLY A  53
GLY A 285
GLU A 233
 None
 1.26A 3x2qG-3hdjA:
undetectable
3x2qN-3hdjA:
0.0
3x2qO-3hdjA:
undetectable		 3x2qG-3hdjA:
12.86
3x2qN-3hdjA:
20.63
3x2qO-3hdjA:
20.69
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.
3s9b VIPERA RUSSELLI
PROTEINASE RVV-V
GAMMA

(Daboia
siamensis) 		PF00089
(Trypsin) 		5 ARG A 137
ARG A 135
PHE A 161
GLY A 184
GLY A  18
 None
 1.00A 3x2qG-3s9bA:
undetectable
3x2qN-3s9bA:
undetectable
3x2qO-3s9bA:
undetectable		 3x2qG-3s9bA:
15.53
3x2qN-3s9bA:
19.00
3x2qO-3s9bA:
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.
3vn3 ANTIFREEZE PROTEIN

(Typhula
ishikariensis) 		PF11999
(DUF3494) 		5 ARG A  97
GLY A 118
TRP A 142
THR A 139
THR A 137
 None
 1.41A 3x2qG-3vn3A:
undetectable
3x2qN-3vn3A:
undetectable
3x2qO-3vn3A:
undetectable		 3x2qG-3vn3A:
17.49
3x2qN-3vn3A:
18.09
3x2qO-3vn3A:
22.58
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
 1.33A 3x2qG-3wy7A:
undetectable
3x2qN-3wy7A:
1.1
3x2qO-3wy7A:
undetectable		 3x2qG-3wy7A:
12.93
3x2qN-3wy7A:
21.19
3x2qO-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.
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
 1.38A 3x2qG-4cgyA:
undetectable
3x2qN-4cgyA:
0.5
3x2qO-4cgyA:
undetectable		 3x2qG-4cgyA:
9.36
3x2qN-4cgyA:
20.21
3x2qO-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) 		5 PHE A 444
GLY A 643
GLY A 597
THR A 482
THR A 483
 None
 1.42A 3x2qG-4cu8A:
undetectable
3x2qN-4cu8A:
undetectable
3x2qO-4cu8A:
undetectable		 3x2qG-4cu8A:
7.93
3x2qN-4cu8A:
20.58
3x2qO-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.
4k1x NADPH:FERREDOXIN
REDUCTASE

(Rhodobacter
capsulatus) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ARG A 203
ARG A 195
GLY A 129
THR A  30
THR A  28
 None
 1.48A 3x2qG-4k1xA:
undetectable
3x2qN-4k1xA:
undetectable
3x2qO-4k1xA:
undetectable		 3x2qG-4k1xA:
14.74
3x2qN-4k1xA:
17.84
3x2qO-4k1xA:
24.55
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.
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
 1.21A 3x2qG-4pelB:
undetectable
3x2qN-4pelB:
0.8
3x2qO-4pelB:
undetectable		 3x2qG-4pelB:
9.81
3x2qN-4pelB:
21.29
3x2qO-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 3x2qG-4qdgA:
undetectable
3x2qN-4qdgA:
undetectable
3x2qO-4qdgA:
undetectable		 3x2qG-4qdgA:
13.97
3x2qN-4qdgA:
20.49
3x2qO-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.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 ARG A 592
GLY A 598
MET A 644
GLY A 646
THR A 495
 None
None
None
None
HEM  A 812 (-4.2A)
 1.49A 3x2qG-5mfaA:
undetectable
3x2qN-5mfaA:
0.1
3x2qO-5mfaA:
undetectable		 3x2qG-5mfaA:
8.32
3x2qN-5mfaA:
20.36
3x2qO-5mfaA:
16.16
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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 534
MET A 543
GLY A 541
GLU A 478
THR A 475
 None
 1.48A 3x2qG-5u25A:
undetectable
3x2qN-5u25A:
undetectable
3x2qO-5u25A:
undetectable		 3x2qG-5u25A:
9.34
3x2qN-5u25A:
20.66
3x2qO-5u25A:
15.97
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.
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
 1.46A 3x2qG-5yb7A:
undetectable
3x2qN-5yb7A:
undetectable
3x2qO-5yb7A:
undetectable		 3x2qG-5yb7A:
undetectable
3x2qN-5yb7A:
undetectable
3x2qO-5yb7A:
undetectable