SIMILAR PATTERNS OF AMINO ACIDS FOR 5X19_B_CHDB302_0

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
 1.16A 5x19A-1k5sB:
1.6
5x19B-1k5sB:
0.0
5x19T-1k5sB:
0.0		 5x19A-1k5sB:
20.53
5x19B-1k5sB:
17.45
5x19T-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.
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)
 1.48A 5x19A-1zr6A:
0.6
5x19B-1zr6A:
0.0
5x19T-1zr6A:
0.0		 5x19A-1zr6A:
21.86
5x19B-1zr6A:
17.47
5x19T-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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 GLY A 181
GLU A 112
THR A 117
THR A 113
GLY A 174
 None
 1.35A 5x19A-2quaA:
0.0
5x19B-2quaA:
0.4
5x19T-2quaA:
0.0		 5x19A-2quaA:
21.91
5x19B-2quaA:
15.42
5x19T-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
 1.36A 5x19A-2xhyA:
0.0
5x19B-2xhyA:
0.0
5x19T-2xhyA:
0.0		 5x19A-2xhyA:
20.62
5x19B-2xhyA:
18.60
5x19T-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
 1.36A 5x19A-3bt7A:
0.0
5x19B-3bt7A:
0.0
5x19T-3bt7A:
0.0		 5x19A-3bt7A:
20.94
5x19B-3bt7A:
20.40
5x19T-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
 1.26A 5x19A-3ce6A:
0.0
5x19B-3ce6A:
0.0
5x19T-3ce6A:
0.0		 5x19A-3ce6A:
22.59
5x19B-3ce6A:
18.09
5x19T-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
 1.41A 5x19A-3cvrA:
0.0
5x19B-3cvrA:
0.0
5x19T-3cvrA:
0.0		 5x19A-3cvrA:
22.78
5x19B-3cvrA:
18.50
5x19T-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
 1.31A 5x19A-3fgbA:
undetectable
5x19B-3fgbA:
0.0
5x19T-3fgbA:
0.0		 5x19A-3fgbA:
20.44
5x19B-3fgbA:
21.47
5x19T-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.
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
 1.43A 5x19A-3hn0A:
0.0
5x19B-3hn0A:
0.2
5x19T-3hn0A:
0.0		 5x19A-3hn0A:
19.48
5x19B-3hn0A:
21.92
5x19T-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 5x19A-3j4uA:
undetectable
5x19B-3j4uA:
undetectable
5x19T-3j4uA:
undetectable		 5x19A-3j4uA:
21.07
5x19B-3j4uA:
21.30
5x19T-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.
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
 1.13A 5x19A-3wrcA:
0.0
5x19B-3wrcA:
undetectable
5x19T-3wrcA:
undetectable		 5x19A-3wrcA:
22.00
5x19B-3wrcA:
17.69
5x19T-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
 1.31A 5x19A-3wy7A:
0.0
5x19B-3wy7A:
undetectable
5x19T-3wy7A:
undetectable		 5x19A-3wy7A:
21.19
5x19B-3wy7A:
19.49
5x19T-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.
3zyt ESTERASE A

(Paenarthrobacter
nitroguajacolicus) 		PF00144
(Beta-lactamase) 		5 GLY A 154
GLN A 170
GLU A 158
THR A 168
GLY A  66
 None
 1.40A 5x19A-3zytA:
undetectable
5x19B-3zytA:
undetectable
5x19T-3zytA:
undetectable		 5x19A-3zytA:
20.15
5x19B-3zytA:
20.27
5x19T-3zytA:
12.71
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.
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
 1.36A 5x19A-4cgyA:
1.5
5x19B-4cgyA:
undetectable
5x19T-4cgyA:
undetectable		 5x19A-4cgyA:
20.21
5x19B-4cgyA:
12.96
5x19T-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
GLN A 503
GLU A 505
THR A 482
PHE A 444
 None
 1.28A 5x19A-4cu8A:
undetectable
5x19B-4cu8A:
undetectable
5x19T-4cu8A:
undetectable		 5x19A-4cu8A:
20.58
5x19B-4cu8A:
14.29
5x19T-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
GLU A 505
THR A 482
PHE A 444
GLY A 643
 None
 1.31A 5x19A-4cu8A:
undetectable
5x19B-4cu8A:
undetectable
5x19T-4cu8A:
undetectable		 5x19A-4cu8A:
20.58
5x19B-4cu8A:
14.29
5x19T-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 5x19A-4cu8A:
undetectable
5x19B-4cu8A:
undetectable
5x19T-4cu8A:
undetectable		 5x19A-4cu8A:
20.58
5x19B-4cu8A:
14.29
5x19T-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
 1.46A 5x19A-4ix9A:
undetectable
5x19B-4ix9A:
undetectable
5x19T-4ix9A:
undetectable		 5x19A-4ix9A:
10.32
5x19B-4ix9A:
18.72
5x19T-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.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 GLY A 329
GLN A 325
THR A  62
ARG A  43
GLY A  41
 None
 1.40A 5x19A-4ktpA:
1.3
5x19B-4ktpA:
undetectable
5x19T-4ktpA:
undetectable		 5x19A-4ktpA:
19.54
5x19B-4ktpA:
14.83
5x19T-4ktpA:
8.14
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.
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 5x19A-4pelB:
1.6
5x19B-4pelB:
undetectable
5x19T-4pelB:
undetectable		 5x19A-4pelB:
21.29
5x19B-4pelB:
17.12
5x19T-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
 1.39A 5x19A-4qdgA:
undetectable
5x19B-4qdgA:
undetectable
5x19T-4qdgA:
undetectable		 5x19A-4qdgA:
20.49
5x19B-4qdgA:
23.20
5x19T-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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 GLY A1088
GLN A1049
ARG A 921
PHE A 807
GLY A 808
 MOS  A3005 ( 3.4A)
MTE  A3003 (-4.4A)
MTE  A3003 (-3.7A)
MTE  A3003 (-3.7A)
MOS  A3005 (-4.0A)
 1.25A 5x19A-5epgA:
undetectable
5x19B-5epgA:
undetectable
5x19T-5epgA:
undetectable		 5x19A-5epgA:
16.15
5x19B-5epgA:
11.18
5x19T-5epgA:
5.22
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 5x19A-5gl7A:
1.7
5x19B-5gl7A:
undetectable
5x19T-5gl7A:
undetectable		 5x19A-5gl7A:
20.77
5x19B-5gl7A:
16.40
5x19T-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
 1.33A 5x19A-5kodA:
0.1
5x19B-5kodA:
undetectable
5x19T-5kodA:
undetectable		 5x19A-5kodA:
20.72
5x19B-5kodA:
17.51
5x19T-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.
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
 1.48A 5x19A-5kqiA:
undetectable
5x19B-5kqiA:
undetectable
5x19T-5kqiA:
undetectable		 5x19A-5kqiA:
20.60
5x19B-5kqiA:
16.18
5x19T-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.
5mrr LYTIC ENDOPEPTIDASE
PREPROENZYME

(Lysobacter sp.
XL1) 		no annotation 5 GLY A 168
GLN A 165
ARG A 111
ARG A 178
GLY A 162
 None
 1.22A 5x19A-5mrrA:
undetectable
5x19B-5mrrA:
undetectable
5x19T-5mrrA:
undetectable		 5x19A-5mrrA:
undetectable
5x19B-5mrrA:
undetectable
5x19T-5mrrA:
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.
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
 1.48A 5x19A-5u25A:
1.8
5x19B-5u25A:
undetectable
5x19T-5u25A:
undetectable		 5x19A-5u25A:
20.66
5x19B-5u25A:
15.97
5x19T-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
 1.43A 5x19A-5yb7A:
undetectable
5x19B-5yb7A:
undetectable
5x19T-5yb7A:
undetectable		 5x19A-5yb7A:
undetectable
5x19B-5yb7A:
undetectable
5x19T-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)
 1.47A 5x19A-6brdA:
0.1
5x19B-6brdA:
undetectable
5x19T-6brdA:
undetectable		 5x19A-6brdA:
undetectable
5x19B-6brdA:
undetectable
5x19T-6brdA:
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  10
GLN A  98
GLU A 102
THR A  37
GLY A 152
 FAD  A 501 (-3.2A)
FAD  A 501 (-3.4A)
None
None
FAD  A 501 (-3.2A)
 1.35A 5x19A-6brdA:
0.1
5x19B-6brdA:
undetectable
5x19T-6brdA:
undetectable		 5x19A-6brdA:
undetectable
5x19B-6brdA:
undetectable
5x19T-6brdA:
undetectable