SIMILAR PATTERNS OF AMINO ACIDS FOR 4IR0_B_FCNB202_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
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.
1f1u HOMOPROTOCATECHUATE
2,3-DIOXYGENASE

(Arthrobacter
globiformis) 		PF00903
(Glyoxalase) 		5 HIS A 155
ALA A 203
HIS A 214
TYR A 257
GLU A 267
 MN  A 500 (-3.4A)
None
MN  A 500 (-3.2A)
None
MN  A 500 (-2.8A)
 0.61A 4ir0A-1f1uA:
7.4
4ir0B-1f1uA:
7.6		 4ir0A-1f1uA:
20.31
4ir0B-1f1uA:
20.31
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.
1f1x HOMOPROTOCATECHUATE
2,3-DIOXYGENASE

(Brevibacterium
fuscum) 		PF00903
(Glyoxalase) 		5 HIS A 155
ALA A 203
HIS A 214
TYR A 257
GLU A 267
 FEL  A 500 (-3.3A)
FEL  A 500 ( 4.2A)
FEL  A 500 (-3.3A)
FEL  A 500 (-4.7A)
FEL  A 500 (-2.4A)
 0.55A 4ir0A-1f1xA:
7.4
4ir0B-1f1xA:
7.6		 4ir0A-1f1xA:
19.51
4ir0B-1f1xA:
19.51
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.
1lkd BIPHENYL-2,3-DIOL
1,2-DIOXYGENASE

(Paraburkholderia
xenovorans) 		PF00903
(Glyoxalase) 		5 HIS A 146
ALA A 198
HIS A 210
TYR A 250
GLU A 260
 FE2  A 500 ( 3.5A)
BP6  A 300 ( 4.2A)
FE2  A 500 ( 3.5A)
P6G  A 600 ( 3.7A)
FE2  A 500 ( 2.8A)
 0.51A 4ir0A-1lkdA:
7.2
4ir0B-1lkdA:
7.5		 4ir0A-1lkdA:
17.24
4ir0B-1lkdA:
17.24
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.
1mpy CATECHOL
2,3-DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase) 		5 HIS A 153
ALA A 202
HIS A 214
TYR A 255
GLU A 265
 FE2  A 308 (-3.6A)
None
FE2  A 308 (-3.7A)
None
FE2  A 308 (-2.6A)
 0.75A 4ir0A-1mpyA:
7.9
4ir0B-1mpyA:
8.4		 4ir0A-1mpyA:
22.26
4ir0B-1mpyA:
22.26
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)
 0.48A 4ir0A-1npbA:
15.9
4ir0B-1npbA:
16.5		 4ir0A-1npbA:
35.17
4ir0B-1npbA:
35.17
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.
1pww LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		5 HIS A 690
CYH A 687
HIS A 686
TYR A 728
GLU A 735
 ZN  A9001 (-3.3A)
None
ZN  A9001 (-3.4A)
None
ZN  A9001 (-2.0A)
 1.06A 4ir0A-1pwwA:
undetectable
4ir0B-1pwwA:
undetectable		 4ir0A-1pwwA:
11.52
4ir0B-1pwwA:
11.52
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.
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
 0.74A 4ir0A-1r9cA:
15.7
4ir0B-1r9cA:
16.4		 4ir0A-1r9cA:
29.68
4ir0B-1r9cA:
29.68
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.
1zsw GLYOXALASE FAMILY
PROTEIN

(Bacillus cereus) 		PF00903
(Glyoxalase) 		5 HIS A   9
HIS A 222
ARG A 253
TYR A 260
GLU A 270
 ZN  A 315 ( 3.3A)
ZN  A 315 ( 3.3A)
BME  A 316 (-4.5A)
None
ZN  A 315 ( 2.5A)
 1.47A 4ir0A-1zswA:
10.9
4ir0B-1zswA:
11.4		 4ir0A-1zswA:
20.00
4ir0B-1zswA:
20.00
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.
2ei0 1,2-DIHYDROXYNAPHTHA
LENE DIOXYGENASE

(Pseudomonas sp.
C18) 		PF00903
(Glyoxalase) 		5 HIS A 152
ALA A 203
HIS A 215
TYR A 256
GLU A 266
 FE2  A 399 ( 3.4A)
BP7  A 401 ( 3.9A)
FE2  A 399 ( 3.3A)
BP7  A 400 ( 4.7A)
FE2  A 399 ( 2.5A)
 0.53A 4ir0A-2ei0A:
7.8
4ir0B-2ei0A:
8.2		 4ir0A-2ei0A:
20.68
4ir0B-2ei0A:
20.68
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.
2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB

(Streptococcus
pneumoniae) 		no annotation 5 HIS A   7
ASN A 163
HIS A   5
ARG A 139
GLU A  80
 MN  A1246 ( 3.3A)
None
MN  A1246 (-3.4A)
PO4  A1244 (-2.8A)
MN  A1246 (-2.4A)
 1.20A 4ir0A-2wjfA:
undetectable
4ir0B-2wjfA:
undetectable		 4ir0A-2wjfA:
23.98
4ir0B-2wjfA:
23.98
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.
2wl3 CATECHOL
2,3-DIOXYGENASE

(Rhodococcus sp.
DK17) 		PF00903
(Glyoxalase) 		5 HIS A 149
ALA A 200
HIS A 212
TYR A 253
GLU A 263
 FE  A1289 (-3.5A)
None
FE  A1289 (-3.6A)
None
FE  A1289 (-2.7A)
 0.60A 4ir0A-2wl3A:
7.4
4ir0B-2wl3A:
7.7		 4ir0A-2wl3A:
19.87
4ir0B-2wl3A:
19.87
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.
2zi8 PROBABLE
BIPHENYL-2,3-DIOL
1,2-DIOXYGENASE BPHC

(Mycobacterium
tuberculosis) 		PF00903
(Glyoxalase) 		5 HIS A 145
ALA A 203
HIS A 215
TYR A 256
GLU A 266
 FE2  A 701 ( 3.3A)
None
FE2  A 701 ( 3.3A)
None
FE2  A 701 ( 2.8A)
 0.63A 4ir0A-2zi8A:
8.2
4ir0B-2zi8A:
8.7		 4ir0A-2zi8A:
20.00
4ir0B-2zi8A:
20.00
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.
3b59 GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Novosphingobium
aromaticivorans) 		PF00903
(Glyoxalase) 		5 HIS A 144
ALA A 188
HIS A 198
TYR A 239
GLU A 249
 MN  A 602 (-3.5A)
None
MN  A 602 (-3.3A)
MN  A 602 (-4.6A)
MN  A 602 (-2.6A)
 0.44A 4ir0A-3b59A:
7.8
4ir0B-3b59A:
8.1		 4ir0A-3b59A:
16.67
4ir0B-3b59A:
16.67
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.
3eck PROTEIN
(HOMOPROTOCATECHUATE
2,3-DIOXYGENASE)

(Brevibacterium
fuscum) 		PF00903
(Glyoxalase) 		5 HIS A 155
ALA A 203
HIS A 214
TYR A 257
GLU A 267
 FE2  A 500 (-3.4A)
None
FE2  A 500 (-3.4A)
None
FE2  A 500 (-2.7A)
 0.53A 4ir0A-3eckA:
7.1
4ir0B-3eckA:
7.1		 4ir0A-3eckA:
19.02
4ir0B-3eckA:
19.02
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.
3hq0 CATECHOL
2,3-DIOXYGENASE

(Pseudomonas
alkylphenolica) 		PF00903
(Glyoxalase) 		5 HIS A 154
ALA A 204
HIS A 216
TYR A 257
GLU A 267
 FE  A 310 (-3.3A)
None
FE  A 310 (-3.6A)
None
FE  A 310 (-2.8A)
 0.78A 4ir0A-3hq0A:
8.8
4ir0B-3hq0A:
9.1		 4ir0A-3hq0A:
21.61
4ir0B-3hq0A:
21.61
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
ALA A 203
HIS A 217
TYR A 258
GLU A 268
 FE  A 400 ( 3.5A)
PEO  A 401 ( 3.7A)
FE  A 400 ( 3.4A)
None
FE  A 400 (-2.7A)
 0.52A 4ir0A-3lm4A:
7.6
4ir0B-3lm4A:
7.8		 4ir0A-3lm4A:
17.54
4ir0B-3lm4A:
17.54
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.
3oaj PUTATIVE
RING-CLEAVING
DIOXYGENASE MHQO

(Bacillus
subtilis) 		PF00903
(Glyoxalase) 		5 HIS A  11
HIS A 218
ARG A 249
TYR A 256
GLU A 266
 ZN  A 500 ( 3.3A)
ZN  A 500 ( 3.4A)
None
SO4  A 501 (-4.7A)
ZN  A 500 ( 2.1A)
 1.44A 4ir0A-3oajA:
7.4
4ir0B-3oajA:
9.2		 4ir0A-3oajA:
21.18
4ir0B-3oajA:
21.18
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.
3vb0 GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Sphingomonas
wittichii) 		PF00903
(Glyoxalase) 		5 HIS A 147
ALA A 194
HIS A 209
TYR A 250
GLU A 260
 FE2  A 301 (-3.3A)
None
FE2  A 301 (-3.4A)
None
FE2  A 301 (-2.7A)
 0.64A 4ir0A-3vb0A:
6.3
4ir0B-3vb0A:
6.5		 4ir0A-3vb0A:
19.59
4ir0B-3vb0A:
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.
4huz 2,6-DICHLORO-P-HYDRO
QUINONE
1,2-DIOXYGENASE

(Sphingobium
chlorophenolicum) 		PF00903
(Glyoxalase) 		5 HIS A  11
HIS A 227
ARG A 259
TYR A 266
GLU A 276
 FE  A 401 ( 3.2A)
FE  A 401 ( 3.0A)
SO4  A 402 (-3.7A)
SO4  A 402 (-4.9A)
FE  A 401 ( 2.6A)
 1.46A 4ir0A-4huzA:
7.6
4ir0B-4huzA:
8.4		 4ir0A-4huzA:
20.00
4ir0B-4huzA:
20.00
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 HIS A   7
CYH A   9
TRP A  46
ALA A  48
ASN A  50
 None
 0.22A 4ir0A-4jh8A:
20.7
4ir0B-4jh8A:
21.4		 4ir0A-4jh8A:
67.63
4ir0B-4jh8A:
67.63
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) 		6 TYR A  64
HIS A  66
ARG A  94
TYR A 105
GLU A 115
ARG A 124
 CYS  A 205 ( 4.3A)
ZN  A 201 ( 3.2A)
FCN  A 204 ( 3.9A)
FCN  A 204 (-4.8A)
ZN  A 201 ( 2.5A)
FCN  A 204 (-2.9A)
 0.17A 4ir0A-4jh8A:
20.7
4ir0B-4jh8A:
21.4		 4ir0A-4jh8A:
67.63
4ir0B-4jh8A:
67.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nb0 METALLOTHIOL
TRANSFERASE FOSB

(Staphylococcus
aureus) 		PF00903
(Glyoxalase) 		5 HIS A   7
CYH A   9
TRP A  46
ALA A  48
ASN A  50
 None
 0.50A 4ir0A-4nb0A:
15.0
4ir0B-4nb0A:
15.5		 4ir0A-4nb0A:
62.07
4ir0B-4nb0A:
62.07
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.
4po0 SERUM ALBUMIN

(Oryctolagus
cuniculus) 		PF00273
(Serum_albumin) 		5 TRP A 214
ALA A 215
HIS A 242
TYR A 150
GLU A 196
 None
 1.48A 4ir0A-4po0A:
undetectable
4ir0B-4po0A:
undetectable		 4ir0A-4po0A:
12.09
4ir0B-4po0A:
12.09
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.
4rt5 GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Planctopirus
limnophila) 		PF00903
(Glyoxalase) 		5 HIS A  18
ALA A  59
HIS A  69
TYR A  94
GLU A 104
 NI  A 201 ( 3.4A)
None
NI  A 201 ( 3.2A)
TRS  A 202 (-4.9A)
NI  A 201 ( 2.8A)
 0.53A 4ir0A-4rt5A:
6.7
4ir0B-4rt5A:
6.5		 4ir0A-4rt5A:
23.72
4ir0B-4rt5A:
23.72
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.
4zuz SIDC

(Legionella
pneumophila) 		no annotation 5 CYH A 768
ALA A 773
HIS A 767
ARG A 797
TYR A 796
 None
 1.46A 4ir0A-4zuzA:
undetectable
4ir0B-4zuzA:
undetectable		 4ir0A-4zuzA:
11.06
4ir0B-4zuzA:
11.06
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 HIS A   7
CYH A   9
TRP A  46
ALA A  48
ASN A  50
 None
 0.22A 4ir0A-5f6qA:
21.9
4ir0B-5f6qA:
22.8		 4ir0A-5f6qA:
97.89
4ir0B-5f6qA:
97.89
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) 		6 TYR A  64
HIS A  66
ARG A  94
TYR A 105
GLU A 115
ARG A 124
 SO4  A 202 (-4.5A)
ZN  A 201 ( 3.2A)
SO4  A 202 (-3.9A)
SO4  A 202 (-4.8A)
ZN  A 201 ( 2.4A)
SO4  A 202 (-3.2A)
 0.23A 4ir0A-5f6qA:
21.9
4ir0B-5f6qA:
22.8		 4ir0A-5f6qA:
97.89
4ir0B-5f6qA:
97.89
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.
5hmq 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase)
PF01261
(AP_endonuc_2)
PF14696
(Glyoxalase_5) 		5 HIS A 443
ASN A 498
HIS A 521
TYR A 588
GLU A 599
 MG  A 702 (-3.3A)
None
MG  A 702 (-3.5A)
None
MG  A 702 (-2.5A)
 0.75A 4ir0A-5hmqA:
5.4
4ir0B-5hmqA:
5.6		 4ir0A-5hmqA:
11.77
4ir0B-5hmqA:
11.77
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
 0.53A 4ir0A-5vb0A:
14.8
4ir0B-5vb0A:
15.3		 4ir0A-5vb0A:
35.10
4ir0B-5vb0A:
35.10