SIMILAR PATTERNS OF AMINO ACIDS FOR 5WAU_B_CHDB303

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 MET C 478
GLY C 480
THR C 329
ARG C 426
GLY C 432
 None
None
HEM  A 605 (-4.4A)
None
None
 1.47A 5wauA-1d7wC:
0.3
5wauB-1d7wC:
0.0
5waug-1d7wC:
0.0		 5wauA-1d7wC:
21.64
5wauB-1d7wC:
18.12
5waug-1d7wC:
11.19
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.
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
 1.18A 5wauA-1k5sB:
0.1
5wauB-1k5sB:
0.0
5waug-1k5sB:
0.0		 5wauA-1k5sB:
20.53
5wauB-1k5sB:
17.45
5waug-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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 GLY A 181
GLU A 112
THR A 117
THR A 113
GLY A 174
 None
 1.37A 5wauA-2quaA:
0.0
5wauB-2quaA:
0.5
5waug-2quaA:
0.0		 5wauA-2quaA:
21.91
5wauB-2quaA:
15.42
5waug-2quaA:
9.09
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.
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
 1.39A 5wauA-2xhyA:
0.0
5wauB-2xhyA:
0.0
5waug-2xhyA:
0.0		 5wauA-2xhyA:
20.62
5wauB-2xhyA:
18.60
5waug-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
 1.38A 5wauA-3bt7A:
0.0
5wauB-3bt7A:
0.0
5waug-3bt7A:
0.0		 5wauA-3bt7A:
20.94
5wauB-3bt7A:
20.40
5waug-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
 1.36A 5wauA-3ce6A:
0.0
5wauB-3ce6A:
0.0
5waug-3ce6A:
0.0		 5wauA-3ce6A:
22.59
5wauB-3ce6A:
18.09
5waug-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 5wauA-3cvrA:
0.0
5wauB-3cvrA:
0.0
5waug-3cvrA:
0.0		 5wauA-3cvrA:
22.78
5wauB-3cvrA:
18.50
5waug-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
 1.35A 5wauA-3fgbA:
undetectable
5wauB-3fgbA:
0.0
5waug-3fgbA:
0.0		 5wauA-3fgbA:
20.44
5wauB-3fgbA:
21.47
5waug-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
 1.26A 5wauA-3hdjA:
0.0
5wauB-3hdjA:
0.0
5waug-3hdjA:
0.0		 5wauA-3hdjA:
20.63
5wauB-3hdjA:
20.69
5waug-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.
3s9b VIPERA RUSSELLI
PROTEINASE RVV-V
GAMMA

(Daboia
siamensis) 		PF00089
(Trypsin) 		5 GLY A  18
ARG A 137
ARG A 135
PHE A 161
GLY A 184
 None
 0.99A 5wauA-3s9bA:
undetectable
5wauB-3s9bA:
undetectable
5waug-3s9bA:
undetectable		 5wauA-3s9bA:
19.00
5wauB-3s9bA:
21.01
5waug-3s9bA:
15.53
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
 1.30A 5wauA-3wy7A:
0.1
5wauB-3wy7A:
undetectable
5waug-3wy7A:
undetectable		 5wauA-3wy7A:
21.19
5wauB-3wy7A:
19.49
5waug-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.
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 5wauA-4cgyA:
2.1
5wauB-4cgyA:
undetectable
5waug-4cgyA:
undetectable		 5wauA-4cgyA:
20.21
5wauB-4cgyA:
12.96
5waug-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
GLU A 505
THR A 482
PHE A 444
GLY A 643
 None
 1.32A 5wauA-4cu8A:
undetectable
5wauB-4cu8A:
undetectable
5waug-4cu8A:
undetectable		 5wauA-4cu8A:
20.58
5wauB-4cu8A:
14.29
5waug-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.
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
 1.41A 5wauA-4cu8A:
undetectable
5wauB-4cu8A:
undetectable
5waug-4cu8A:
undetectable		 5wauA-4cu8A:
20.58
5wauB-4cu8A:
14.29
5waug-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.
4htl BETA-GLUCOSIDE
KINASE

(Listeria
monocytogenes) 		PF00480
(ROK) 		5 GLY A 242
THR A 175
THR A 176
PHE A 153
GLY A 133
 None
 1.47A 5wauA-4htlA:
0.1
5wauB-4htlA:
undetectable
5waug-4htlA:
undetectable		 5wauA-4htlA:
22.05
5wauB-4htlA:
23.00
5waug-4htlA:
14.63
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.
4ix9 V-TYPE PROTON ATPASE
SUBUNIT F

(Saccharomyces
cerevisiae) 		PF01990
(ATP-synt_F) 		5 GLY A  26
THR A  16
THR A  18
ARG A  61
PHE A  38
 TRS  A 101 (-3.5A)
None
None
None
None
 1.46A 5wauA-4ix9A:
undetectable
5wauB-4ix9A:
undetectable
5waug-4ix9A:
undetectable		 5wauA-4ix9A:
10.32
5wauB-4ix9A:
18.72
5waug-4ix9A:
19.59
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.
4qa9 EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		5 GLU A  71
THR A  70
THR A  69
ARG A 151
GLY A 135
 None
 1.38A 5wauA-4qa9A:
undetectable
5wauB-4qa9A:
undetectable
5waug-4qa9A:
undetectable		 5wauA-4qa9A:
21.32
5wauB-4qa9A:
21.63
5waug-4qa9A:
9.54
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
 1.37A 5wauA-4qdgA:
undetectable
5wauB-4qdgA:
undetectable
5waug-4qdgA:
undetectable		 5wauA-4qdgA:
20.49
5wauB-4qdgA:
23.20
5waug-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.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 MET A 644
GLY A 646
THR A 495
ARG A 592
GLY A 598
 None
None
HEM  A 812 (-4.2A)
None
None
 1.47A 5wauA-5mfaA:
0.9
5wauB-5mfaA:
undetectable
5waug-5mfaA:
undetectable		 5wauA-5mfaA:
20.36
5wauB-5mfaA:
16.16
5waug-5mfaA:
8.32
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
 1.50A 5wauA-5u25A:
undetectable
5wauB-5u25A:
undetectable
5waug-5u25A:
undetectable		 5wauA-5u25A:
20.66
5wauB-5u25A:
15.97
5waug-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.
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
 1.45A 5wauA-5yb7A:
undetectable
5wauB-5yb7A:
undetectable
5waug-5yb7A:
undetectable		 5wauA-5yb7A:
undetectable
5wauB-5yb7A:
undetectable
5waug-5yb7A:
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 5 MET A 644
GLY A 646
THR A 495
ARG A 592
GLY A 598
 None
 1.48A 5wauA-6azpA:
0.5
5wauB-6azpA:
undetectable
5waug-6azpA:
undetectable		 5wauA-6azpA:
undetectable
5wauB-6azpA:
undetectable
5waug-6azpA:
undetectable