SIMILAR PATTERNS OF AMINO ACIDS FOR 1NKI_B_PPFB5002_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)
 0.13A 1nkiA-1lqkA:
24.6
1nkiB-1lqkA:
24.2		 1nkiA-1lqkA:
100.00
1nkiB-1lqkA:
100.00
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 1nkiA-1npbA:
21.1
1nkiB-1npbA:
21.2		 1nkiA-1npbA:
60.43
1nkiB-1npbA:
60.43
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
 0.88A 1nkiA-1r9cA:
15.9
1nkiB-1r9cA:
15.8		 1nkiA-1r9cA:
34.44
1nkiB-1r9cA:
34.44
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.
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)
 1.41A 1nkiA-2fpqA:
undetectable
1nkiB-2fpqA:
undetectable		 1nkiA-2fpqA:
15.62
1nkiB-2fpqA:
15.62
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.
3lm4 CATECHOL
2,3-DIOXYGENASE

(Rhodococcus
jostii) 		PF00903
(Glyoxalase) 		5 HIS A 155
HIS A 217
SER A 254
TYR A 258
GLU A 268
 FE  A 400 ( 3.5A)
FE  A 400 ( 3.4A)
HPX  A 406 ( 4.5A)
None
FE  A 400 (-2.7A)
 1.24A 1nkiA-3lm4A:
8.6
1nkiB-3lm4A:
8.5		 1nkiA-3lm4A:
18.15
1nkiB-3lm4A:
18.15
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 1nkiA-3nqxA:
undetectable
1nkiB-3nqxA:
undetectable		 1nkiA-3nqxA:
18.69
1nkiB-3nqxA:
18.69
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.
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)
 0.30A 1nkiA-3oajA:
10.2
1nkiB-3oajA:
10.0		 1nkiA-3oajA:
15.77
1nkiB-3oajA:
15.77
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)
 1.31A 1nkiA-4fekA:
undetectable
1nkiB-4fekA:
undetectable		 1nkiA-4fekA:
20.15
1nkiB-4fekA:
20.15
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)
 0.40A 1nkiA-4huzA:
8.7
1nkiB-4huzA:
8.6		 1nkiA-4huzA:
17.15
1nkiB-4huzA:
17.15
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)
 0.39A 1nkiA-4jh8A:
17.7
1nkiB-4jh8A:
17.5		 1nkiA-4jh8A:
35.25
1nkiB-4jh8A:
35.25
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 1nkiA-4o2iA:
undetectable
1nkiB-4o2iA:
undetectable		 1nkiA-4o2iA:
16.05
1nkiB-4o2iA:
16.05
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
 1.43A 1nkiA-4zktA:
undetectable
1nkiB-4zktA:
undetectable		 1nkiA-4zktA:
7.23
1nkiB-4zktA:
7.23
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)
 0.40A 1nkiA-5f6qA:
18.0
1nkiB-5f6qA:
17.7		 1nkiA-5f6qA:
33.33
1nkiB-5f6qA:
33.33
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
 0.35A 1nkiA-5vb0A:
19.3
1nkiB-5vb0A:
19.3		 1nkiA-5vb0A:
60.87
1nkiB-5vb0A:
60.87