SIMILAR PATTERNS OF AMINO ACIDS FOR 5V3D_A_FCNA205_1

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lqk PROBABLE FOSFOMYCIN
RESISTANCE PROTEIN

(Pseudomonas
aeruginosa) 		PF00903
(Glyoxalase) 		5 HIS A  64
SER A  94
TYR A 100
GLU A 110
ARG A 119
 MN  A 901 ( 3.3A)
K  A 701 ( 2.6A)
PO4  A 501 ( 4.1A)
MN  A 901 ( 2.6A)
PO4  A 501 ( 2.6A)
 0.19A 5v3dA-1lqkA:
22.3
5v3dB-1lqkA:
22.2		 5v3dA-1lqkA:
65.22
5v3dB-1lqkA:
65.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1npb FOSFOMYCIN-RESISTANC
E PROTEIN

(Serratia
marcescens) 		PF00903
(Glyoxalase) 		5 TYR A  65
HIS A  67
TYR A 103
GLU A 113
ARG A 122
 None
SO4  A 403 (-3.8A)
SO4  A 403 (-4.6A)
SO4  A 403 (-3.1A)
SO4  A 403 ( 3.4A)
 0.20A 5v3dA-1npbA:
23.0
5v3dB-1npbA:
13.0		 5v3dA-1npbA:
68.79
5v3dB-1npbA:
68.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r9c GLUTATHIONE
TRANSFERASE

(Mesorhizobium
loti) 		PF00903
(Glyoxalase) 		5 TYR A  67
HIS A  69
TYR A 108
GLU A 118
ARG A 127
 None
MN  A2001 (-3.2A)
None
MN  A2001 (-2.5A)
None
 0.87A 5v3dA-1r9cA:
15.4
5v3dB-1r9cA:
15.4		 5v3dA-1r9cA:
33.11
5v3dB-1r9cA:
33.11
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.
2fpq BOTULINUM NEUROTOXIN
D LIGHT CHAIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 HIS A 233
TYR A 168
HIS A 229
TYR A 375
GLU A 269
 ZN  A 500 (-3.3A)
None
ZN  A 500 (-3.1A)
None
ZN  A 500 (-1.8A)
 1.45A 5v3dA-2fpqA:
0.0
5v3dB-2fpqA:
undetectable		 5v3dA-2fpqA:
16.02
5v3dB-2fpqA:
16.02
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.
3nqx SECRETED
METALLOPROTEASE
MCP02

(Pseudoalteromonas
sp. SM9913) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 HIS A 345
TYR A 360
HIS A 349
GLU A 346
ARG A 403
 ZN  A   1 (-3.2A)
None
ZN  A   1 (-3.2A)
ZN  A   1 ( 4.5A)
None
 1.24A 5v3dA-3nqxA:
undetectable
5v3dB-3nqxA:
0.0		 5v3dA-3nqxA:
19.16
5v3dB-3nqxA:
19.16
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.
3oaj PUTATIVE
RING-CLEAVING
DIOXYGENASE MHQO

(Bacillus
subtilis) 		PF00903
(Glyoxalase) 		5 HIS A  11
THR A  13
HIS A 218
TYR A 256
GLU A 266
 ZN  A 500 ( 3.3A)
SO4  A 501 (-3.1A)
ZN  A 500 ( 3.4A)
SO4  A 501 (-4.7A)
ZN  A 500 ( 2.1A)
 0.33A 5v3dA-3oajA:
9.6
5v3dB-3oajA:
9.5		 5v3dA-3oajA:
19.03
5v3dB-3oajA:
19.03
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.
4fek PUTATIVE DIFLAVIN
FLAVOPROTEIN A 5

(Nostoc sp. PCC
7120) 		no annotation 5 HIS A 231
THR A  41
TYR A  35
HIS A 179
ARG A  92
 None
None
None
None
PO4  A 303 (-4.0A)
 1.29A 5v3dA-4fekA:
undetectable
5v3dB-4fekA:
undetectable		 5v3dA-4fekA:
18.70
5v3dB-4fekA:
18.70
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.
4huz 2,6-DICHLORO-P-HYDRO
QUINONE
1,2-DIOXYGENASE

(Sphingobium
chlorophenolicum) 		PF00903
(Glyoxalase) 		5 HIS A  11
THR A  13
HIS A 227
TYR A 266
GLU A 276
 FE  A 401 ( 3.2A)
SO4  A 402 ( 2.8A)
FE  A 401 ( 3.0A)
SO4  A 402 (-4.9A)
FE  A 401 ( 2.6A)
 0.42A 5v3dA-4huzA:
8.6
5v3dB-4huzA:
8.6		 5v3dA-4huzA:
20.20
5v3dB-4huzA:
20.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jh8 METALLOTHIOL
TRANSFERASE FOSB

(Bacillus cereus) 		PF00903
(Glyoxalase) 		5 TYR A  64
HIS A  66
TYR A 105
GLU A 115
ARG A 124
 CYS  A 205 ( 4.3A)
ZN  A 201 ( 3.2A)
FCN  A 204 (-4.8A)
ZN  A 201 ( 2.5A)
FCN  A 204 (-2.9A)
 0.40A 5v3dA-4jh8A:
17.4
5v3dB-4jh8A:
17.5		 5v3dA-4jh8A:
38.57
5v3dB-4jh8A:
38.57
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.
4o2i NON-LEE ENCODED TYPE
III EFFECTOR C

(Citrobacter
rodentium) 		PF13678
(Peptidase_M85) 		5 HIS A 183
THR A 206
HIS A 187
GLU A 184
ARG A 232
 ZN  A 401 (-3.2A)
ZN  A 401 ( 4.6A)
ZN  A 401 (-3.2A)
ZN  A 401 ( 4.1A)
None
 1.27A 5v3dA-4o2iA:
undetectable
5v3dB-4o2iA:
undetectable		 5v3dA-4o2iA:
17.67
5v3dB-4o2iA:
17.67
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.
4zkt BONTOXILYSIN A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 HIS A 212
THR A 254
HIS A 216
GLU A 213
ARG A 348
 ZN  A1301 (-3.7A)
None
ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
None
 1.44A 5v3dA-4zktA:
undetectable
5v3dB-4zktA:
undetectable		 5v3dA-4zktA:
7.38
5v3dB-4zktA:
7.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f6q METALLOTHIOL
TRANSFERASE FOSB 2

(Bacillus
anthracis) 		PF00903
(Glyoxalase) 		5 TYR A  64
HIS A  66
TYR A 105
GLU A 115
ARG A 124
 SO4  A 202 (-4.5A)
ZN  A 201 ( 3.2A)
SO4  A 202 (-4.8A)
ZN  A 201 ( 2.4A)
SO4  A 202 (-3.2A)
 0.39A 5v3dA-5f6qA:
17.6
5v3dB-5f6qA:
17.6		 5v3dA-5f6qA:
34.04
5v3dB-5f6qA:
34.04
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.
5fzo PROBABLE JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION PROT
EIN 2C

(Homo sapiens) 		PF02373
(JmjC) 		5 HIS A2466
THR A2333
TRP A2391
HIS A2336
GLU A2338
 MN  A3499 (-3.4A)
None
None
MN  A3499 (-3.4A)
MN  A3499 (-2.5A)
 1.21A 5v3dA-5fzoA:
undetectable
5v3dB-5fzoA:
undetectable		 5v3dA-5fzoA:
16.47
5v3dB-5fzoA:
16.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vb0 FOSFOMYCIN
RESISTANCE PROTEIN
FOSA3

(Escherichia
coli) 		PF00903
(Glyoxalase) 		5 TYR A  65
HIS A  67
TYR A 103
GLU A 113
ARG A 122
 None
MN  A 201 (-3.5A)
None
MN  A 201 (-2.5A)
None
 0.23A 5v3dA-5vb0A:
21.0
5v3dB-5vb0A:
21.0		 5v3dA-5vb0A:
80.00
5v3dB-5vb0A:
80.00
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.
5wti CRISPR-ASSOCIATED
PROTEIN

(Bacillus
thermoamylovorans) 		no annotation 5 HIS Z 385
THR Z 378
HIS Z  49
GLU Z  51
ARG Z 490
 G  B 107 ( 3.7A)
A  B 108 ( 3.2A)
A  B 108 ( 4.9A)
None
G  B 107 ( 2.9A)
 1.48A 5v3dA-5wtiZ:
undetectable
5v3dB-5wtiZ:
undetectable		 5v3dA-5wtiZ:
8.84
5v3dB-5wtiZ:
8.84