SIMILAR PATTERNS OF AMINO ACIDS FOR 2Q0J_A_BEZA500_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.
2gu1 ZINC PEPTIDASE

(Vibrio cholerae) 		PF01551
(Peptidase_M23)
PF04225
(OapA) 		5 HIS A 311
ASP A 236
GLU A 315
HIS A 232
LEU A  40
 None
ZN  A 362 (-2.1A)
None
ZN  A 362 (-3.2A)
None
 1.22A 2q0jA-2gu1A:
0.0		 2q0jA-2gu1A:
20.80
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.
2p18 GLYOXALASE II

(Leishmania
infantum) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 ASP A  80
HIS A 139
ASP A 164
PHE A 175
HIS A 210
 ZN  A 301 ( 2.7A)
ZN  A 302 ( 3.2A)
ZN  A 301 (-2.5A)
ACY  A1022 (-4.9A)
ZN  A 301 ( 3.3A)
 0.46A 2q0jA-2p18A:
14.3		 2q0jA-2p18A:
26.37
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.
2q42 PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 2

(Arabidopsis
thaliana) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 ASP A  58
HIS A 112
ASP A 131
PHE A 142
HIS A 169
 FE  A 701 (-2.6A)
ZN  A 700 (-3.3A)
FE  A 701 ( 2.4A)
None
FE  A 701 (-3.3A)
 0.56A 2q0jA-2q42A:
16.4		 2q0jA-2q42A:
23.44
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.
2qed HYDROXYACYLGLUTATHIO
NE HYDROLASE

(Salmonella
enterica) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 ASP A  57
HIS A 110
ASP A 127
PHE A 138
HIS A 165
 FE  A 252 (-2.6A)
FE  A 253 (-3.2A)
FE  A 252 ( 2.3A)
None
FE  A 252 (-3.2A)
 0.51A 2q0jA-2qedA:
15.8		 2q0jA-2qedA:
23.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vw8 PA1000

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		10 ASP A  73
HIS A 159
ASP A 178
GLU A 182
LEU A 193
PHE A 195
HIS A 221
SER A 273
LEU A 277
HIS A 282
 FE2  A 401 ( 2.8A)
FE2  A 402 ( 3.3A)
FE2  A 401 (-2.5A)
None
CAC  A 403 ( 4.5A)
CAC  A 403 (-4.8A)
FE2  A 401 ( 3.4A)
None
CAC  A 403 ( 4.7A)
None
 0.18A 2q0jA-2vw8A:
52.3		 2q0jA-2vw8A:
94.69
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.
2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE

(Salmonella
enterica) 		PF00753
(Lactamase_B) 		5 ASP A  60
HIS A 132
ASP A 151
PHE A 163
HIS A 192
 ZN  A1211 ( 2.8A)
None
ZN  A1211 (-2.4A)
PG4  A1212 (-4.6A)
ZN  A1211 (-3.3A)
 0.83A 2q0jA-2xf4A:
18.4		 2q0jA-2xf4A:
24.62
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.
3bjc CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ASP A 764
HIS A 613
ASP A 654
GLU A 682
LEU A 725
 ZN  A 876 (-2.5A)
MG  A 877 (-4.4A)
MG  A 877 ( 2.5A)
None
None
 1.30A 2q0jA-3bjcA:
undetectable		 2q0jA-3bjcA:
16.73
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.
3iac GLUCURONATE
ISOMERASE

(Salmonella
enterica) 		PF02614
(UxaC) 		5 ASP A 239
ASP A 414
LEU A 412
PHE A  32
HIS A 299
 None
 1.49A 2q0jA-3iacA:
undetectable		 2q0jA-3iacA:
21.55
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.
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I)
PF01590
(GAF)
PF13185
(GAF_2) 		5 ASP A 808
HIS A 656
ASP A 697
GLU A 727
LEU A 770
 ZN  A   1 (-2.7A)
None
ZN  A   1 ( 2.9A)
None
None
 1.22A 2q0jA-3ibjA:
undetectable		 2q0jA-3ibjA:
18.79
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.
3obz PHYTANOYL-COA
DIOXYGENASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF05721
(PhyH) 		5 HIS A 263
ASP A 158
HIS A 156
SER A 248
LEU A 187
 AKG  A 481 ( 4.8A)
FE2  A 482 ( 2.6A)
FE2  A 482 ( 3.4A)
AKG  A 481 (-2.5A)
None
 1.34A 2q0jA-3obzA:
undetectable		 2q0jA-3obzA:
22.82
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.
3q1t ENOYL-COA HYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 ASP A 155
ASP A 144
LEU A 174
HIS A 146
SER A 240
 None
 1.26A 2q0jA-3q1tA:
undetectable		 2q0jA-3q1tA:
22.84
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.
3r2u METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		5 ASP A  60
HIS A 119
ASP A 145
HIS A 195
SER A 199
 FE  A 443 ( 4.2A)
FE  A 443 (-3.4A)
FE  A 443 (-3.2A)
None
None
 0.97A 2q0jA-3r2uA:
14.2		 2q0jA-3r2uA:
22.46
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.
4cxo ENDONUCLEASE 2

(Arabidopsis
thaliana) 		PF02265
(S1-P1_nuclease) 		5 ASP A  45
HIS A 130
ASP A 124
HIS A   6
HIS A 155
 SO4  A 461 ( 2.7A)
ZN  A 452 (-3.3A)
ZN  A 453 (-2.6A)
ZN  A 453 ( 3.2A)
None
 1.43A 2q0jA-4cxoA:
undetectable		 2q0jA-4cxoA:
22.73
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.
4evd NEUTROPHIL-ACTIVATIN
G PROTEIN

(Helicobacter
pylori) 		PF00210
(Ferritin) 		5 ASP A  13
LEU A  17
PHE A  47
HIS A 101
LEU A 132
 None
None
None
CD  A 203 (-3.5A)
None
 1.27A 2q0jA-4evdA:
undetectable		 2q0jA-4evdA:
20.87
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.
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ASP A 808
HIS A 656
ASP A 697
GLU A 727
LEU A 770
 ZN  A1001 (-2.5A)
None
MG  A1002 ( 2.6A)
None
None
 1.21A 2q0jA-4htzA:
undetectable		 2q0jA-4htzA:
21.20
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.
4keq 4-PYRIDOXOLACTONASE

(Mesorhizobium
japonicum) 		PF00753
(Lactamase_B) 		5 ASP A 100
HIS A 185
ASP A 207
HIS A 252
HIS A  20
 ZN  A 301 (-3.1A)
ZN  A 302 (-3.3A)
ZN  A 301 ( 2.1A)
ZN  A 301 ( 3.3A)
None
 1.08A 2q0jA-4keqA:
12.8		 2q0jA-4keqA:
22.47
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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		5 ASP A 544
HIS A 670
ASP A 699
HIS A 759
SER A 761
 ZN  A 902 ( 2.6A)
ZN  A 901 ( 3.5A)
ZN  A 902 (-2.3A)
ZN  A 902 ( 3.2A)
None
 0.83A 2q0jA-5mtzA:
7.3		 2q0jA-5mtzA:
17.71