SIMILAR PATTERNS OF AMINO ACIDS FOR 5XDQ_B_CHDB304

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.
1d2e ELONGATION FACTOR TU
(EF-TU)

(Bos taurus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 GLY A 172
GLN A 170
THR A 437
PHE A 206
GLY A 207
 None
 1.42A 5xdqA-1d2eA:
0.0
5xdqB-1d2eA:
0.0
5xdqT-1d2eA:
0.0		 5xdqA-1d2eA:
21.96
5xdqB-1d2eA:
19.61
5xdqT-1d2eA:
12.20
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.
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 5xdqA-1k5sB:
1.4
5xdqB-1k5sB:
0.0
5xdqT-1k5sB:
0.0		 5xdqA-1k5sB:
20.53
5xdqB-1k5sB:
17.45
5xdqT-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.
1wk4 TTK003001606

(Thermus
thermophilus) 		PF00583
(Acetyltransf_1) 		5 GLN A 101
THR A  21
THR A  25
PHE A 139
GLY A 136
 None
None
None
MES  A 201 ( 4.3A)
MES  A 201 (-3.3A)
 1.16A 5xdqA-1wk4A:
undetectable
5xdqB-1wk4A:
0.0
5xdqT-1wk4A:
0.0		 5xdqA-1wk4A:
14.65
5xdqB-1wk4A:
21.15
5xdqT-1wk4A:
18.86
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.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A  79
GLN A  62
GLU A  80
PHE A 464
GLY A 190
 None
None
None
None
FAD  A 501 (-3.4A)
 1.44A 5xdqA-1zr6A:
0.0
5xdqB-1zr6A:
0.0
5xdqT-1zr6A:
0.0		 5xdqA-1zr6A:
21.86
5xdqB-1zr6A:
17.47
5xdqT-1zr6A:
10.75
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.
2gsk VITAMIN B12
TRANSPORTER BTUB

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A 119
GLN A 372
THR A 391
ARG A  19
GLY A 125
 None
 1.27A 5xdqA-2gskA:
undetectable
5xdqB-2gskA:
0.0
5xdqT-2gskA:
0.0		 5xdqA-2gskA:
21.56
5xdqB-2gskA:
14.48
5xdqT-2gskA:
10.11
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
 1.38A 5xdqA-2quaA:
0.0
5xdqB-2quaA:
0.5
5xdqT-2quaA:
0.0		 5xdqA-2quaA:
21.91
5xdqB-2quaA:
15.42
5xdqT-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.
2wnb -

(Sus scrofa) 		PF00777
(Glyco_transf_29) 		5 GLY A 291
THR A 328
ARG A 171
PHE A 192
GLY A 273
 None
None
None
None
C5P  A1344 (-3.2A)
 1.49A 5xdqA-2wnbA:
0.0
5xdqB-2wnbA:
0.0
5xdqT-2wnbA:
0.0		 5xdqA-2wnbA:
17.88
5xdqB-2wnbA:
18.98
5xdqT-2wnbA:
14.73
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
 1.37A 5xdqA-3bt7A:
0.0
5xdqB-3bt7A:
0.0
5xdqT-3bt7A:
0.0		 5xdqA-3bt7A:
20.94
5xdqB-3bt7A:
20.40
5xdqT-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
 1.34A 5xdqA-3ce6A:
0.0
5xdqB-3ce6A:
0.0
5xdqT-3ce6A:
0.0		 5xdqA-3ce6A:
22.59
5xdqB-3ce6A:
18.09
5xdqT-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
 1.43A 5xdqA-3cvrA:
0.1
5xdqB-3cvrA:
undetectable
5xdqT-3cvrA:
undetectable		 5xdqA-3cvrA:
22.78
5xdqB-3cvrA:
18.50
5xdqT-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
 1.32A 5xdqA-3fgbA:
undetectable
5xdqB-3fgbA:
undetectable
5xdqT-3fgbA:
undetectable		 5xdqA-3fgbA:
20.44
5xdqB-3fgbA:
21.47
5xdqT-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 5xdqA-3hdjA:
0.0
5xdqB-3hdjA:
undetectable
5xdqT-3hdjA:
undetectable		 5xdqA-3hdjA:
20.63
5xdqB-3hdjA:
20.69
5xdqT-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.
3hn0 NITRATE TRANSPORT
PROTEIN

(Parabacteroides
distasonis) 		no annotation 5 GLY A 199
GLN A 202
THR A 203
ARG A 137
GLY A 275
 None
 1.44A 5xdqA-3hn0A:
undetectable
5xdqB-3hn0A:
undetectable
5xdqT-3hn0A:
undetectable		 5xdqA-3hn0A:
19.48
5xdqB-3hn0A:
21.92
5xdqT-3hn0A:
15.47
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.
3j4u MAJOR CAPSID PROTEIN

(Bordetella
virus BPP1) 		no annotation 5 MET A  87
GLY A  88
GLN A 126
THR A 125
GLY A 144
 None
 1.41A 5xdqA-3j4uA:
undetectable
5xdqB-3j4uA:
undetectable
5xdqT-3j4uA:
undetectable		 5xdqA-3j4uA:
21.07
5xdqB-3j4uA:
21.30
5xdqT-3j4uA:
14.44
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
 1.00A 5xdqA-3s9bA:
undetectable
5xdqB-3s9bA:
undetectable
5xdqT-3s9bA:
undetectable		 5xdqA-3s9bA:
19.00
5xdqB-3s9bA:
21.01
5xdqT-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.
3wrc GALLATE DIOXYGENASE

(Sphingomonas
paucimobilis) 		PF02900
(LigB)
PF07746
(LigA) 		5 GLN A 277
ARG A 167
ARG A 247
PHE A 274
GLY A   7
 None
 1.04A 5xdqA-3wrcA:
undetectable
5xdqB-3wrcA:
undetectable
5xdqT-3wrcA:
undetectable		 5xdqA-3wrcA:
22.00
5xdqB-3wrcA:
17.69
5xdqT-3wrcA:
10.79
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.
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
 1.38A 5xdqA-3wy7A:
0.0
5xdqB-3wy7A:
undetectable
5xdqT-3wy7A:
undetectable		 5xdqA-3wy7A:
21.19
5xdqB-3wy7A:
19.49
5xdqT-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
 1.42A 5xdqA-4cgyA:
1.8
5xdqB-4cgyA:
undetectable
5xdqT-4cgyA:
undetectable		 5xdqA-4cgyA:
20.21
5xdqB-4cgyA:
12.96
5xdqT-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 5xdqA-4cu8A:
undetectable
5xdqB-4cu8A:
undetectable
5xdqT-4cu8A:
undetectable		 5xdqA-4cu8A:
20.58
5xdqB-4cu8A:
14.29
5xdqT-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
 1.46A 5xdqA-4cu8A:
undetectable
5xdqB-4cu8A:
undetectable
5xdqT-4cu8A:
undetectable		 5xdqA-4cu8A:
20.58
5xdqB-4cu8A:
14.29
5xdqT-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.
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
 1.44A 5xdqA-4ix9A:
undetectable
5xdqB-4ix9A:
undetectable
5xdqT-4ix9A:
undetectable		 5xdqA-4ix9A:
10.32
5xdqB-4ix9A:
18.72
5xdqT-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.
4j05 PHOSPHATE
TRANSPORTER

(Serendipita
indica) 		PF00083
(Sugar_tr) 		5 GLY A 315
THR A 433
THR A 434
PHE A 493
GLY A 492
 None
 1.17A 5xdqA-4j05A:
undetectable
5xdqB-4j05A:
undetectable
5xdqT-4j05A:
undetectable		 5xdqA-4j05A:
23.83
5xdqB-4j05A:
17.55
5xdqT-4j05A:
10.88
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.
4k3y NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 GLN A 226
THR A 239
ARG A 406
PHE A 277
GLY A 291
 None
 1.25A 5xdqA-4k3yA:
undetectable
5xdqB-4k3yA:
undetectable
5xdqT-4k3yA:
undetectable		 5xdqA-4k3yA:
21.72
5xdqB-4k3yA:
20.77
5xdqT-4k3yA:
11.81
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.
4lls GERANYLTRANSTRANSFER
ASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		5 MET A 149
GLY A 177
GLN A 175
ARG A  44
GLY A 184
 GST  A 302 ( 4.1A)
None
None
IPE  A 301 (-3.1A)
None
 1.45A 5xdqA-4llsA:
0.0
5xdqB-4llsA:
undetectable
5xdqT-4llsA:
undetectable		 5xdqA-4llsA:
20.31
5xdqB-4llsA:
22.93
5xdqT-4llsA:
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.
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
 1.23A 5xdqA-4pelB:
0.8
5xdqB-4pelB:
undetectable
5xdqT-4pelB:
undetectable		 5xdqA-4pelB:
21.29
5xdqB-4pelB:
17.12
5xdqT-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.
4qa9 EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		5 GLU A  71
THR A  70
THR A  69
ARG A 151
GLY A 135
 None
 1.37A 5xdqA-4qa9A:
0.0
5xdqB-4qa9A:
undetectable
5xdqT-4qa9A:
undetectable		 5xdqA-4qa9A:
21.32
5xdqB-4qa9A:
21.63
5xdqT-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 5xdqA-4qdgA:
undetectable
5xdqB-4qdgA:
undetectable
5xdqT-4qdgA:
undetectable		 5xdqA-4qdgA:
20.49
5xdqB-4qdgA:
23.20
5xdqT-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.
5gl7 METHIONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF09334
(tRNA-synt_1g) 		5 MET A 659
GLY A 658
GLN A 770
THR A 766
GLY A 651
 None
 1.47A 5xdqA-5gl7A:
0.2
5xdqB-5gl7A:
undetectable
5xdqT-5gl7A:
undetectable		 5xdqA-5gl7A:
20.77
5xdqB-5gl7A:
16.40
5xdqT-5gl7A:
8.85
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.
5kod INDOLE-3-ACETIC
ACID-AMIDO
SYNTHETASE GH3.5

(Arabidopsis
thaliana) 		PF03321
(GH3) 		5 GLY A 495
GLN A 319
THR A 323
PHE A 232
GLY A 235
 None
None
None
IAC  A 702 (-4.6A)
None
 1.27A 5xdqA-5kodA:
0.5
5xdqB-5kodA:
undetectable
5xdqT-5kodA:
undetectable		 5xdqA-5kodA:
20.72
5xdqB-5kodA:
17.51
5xdqT-5kodA:
9.60
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.
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
 1.49A 5xdqA-5u25A:
1.3
5xdqB-5u25A:
undetectable
5xdqT-5u25A:
undetectable		 5xdqA-5u25A:
20.66
5xdqB-5u25A:
15.97
5xdqT-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.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 GLY A 506
GLN A 689
THR A 707
THR A 731
ARG A 658
 None
None
None
None
CL  A 801 (-3.1A)
 1.28A 5xdqA-5u47A:
0.1
5xdqB-5u47A:
undetectable
5xdqT-5u47A:
undetectable		 5xdqA-5u47A:
20.61
5xdqB-5u47A:
15.46
5xdqT-5u47A:
8.76
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
 1.50A 5xdqA-5whsA:
1.1
5xdqB-5whsA:
undetectable
5xdqT-5whsA:
undetectable		 5xdqA-5whsA:
undetectable
5xdqB-5whsA:
undetectable
5xdqT-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
 1.41A 5xdqA-5yb7A:
undetectable
5xdqB-5yb7A:
undetectable
5xdqT-5yb7A:
undetectable		 5xdqA-5yb7A:
undetectable
5xdqB-5yb7A:
undetectable
5xdqT-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.
6brd RIFAMPIN
MONOOXYGENASE

(Streptomyces
venezuelae) 		no annotation 5 GLY A   9
GLN A  98
GLU A 102
THR A  37
GLY A 152
 FAD  A 501 ( 4.9A)
FAD  A 501 (-3.4A)
None
None
FAD  A 501 (-3.2A)
 1.49A 5xdqA-6brdA:
undetectable
5xdqB-6brdA:
undetectable
5xdqT-6brdA:
undetectable		 5xdqA-6brdA:
undetectable
5xdqB-6brdA:
undetectable
5xdqT-6brdA:
undetectable