SIMILAR PATTERNS OF AMINO ACIDS FOR 4IR0_A_FCNA202_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 214
TYR A 257
GLU A 267
HIS A 155
ALA A 203
 MN  A 500 (-3.2A)
None
MN  A 500 (-2.8A)
MN  A 500 (-3.4A)
None
 0.66A 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 214
TYR A 257
GLU A 267
HIS A 155
ALA A 203
 FEL  A 500 (-3.3A)
FEL  A 500 (-4.7A)
FEL  A 500 (-2.4A)
FEL  A 500 (-3.3A)
FEL  A 500 ( 4.2A)
 0.60A 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 210
TYR A 250
GLU A 260
HIS A 146
ALA A 198
 FE2  A 500 ( 3.5A)
P6G  A 600 ( 3.7A)
FE2  A 500 ( 2.8A)
FE2  A 500 ( 3.5A)
BP6  A 300 ( 4.2A)
 0.57A 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 214
TYR A 255
GLU A 265
HIS A 153
ALA A 202
 FE2  A 308 (-3.7A)
None
FE2  A 308 (-2.6A)
FE2  A 308 (-3.6A)
None
 0.79A 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 686
TYR A 728
GLU A 735
HIS A 690
CYH A 687
 ZN  A9001 (-3.4A)
None
ZN  A9001 (-2.0A)
ZN  A9001 (-3.3A)
None
 1.02A 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
 0.73A 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.
2ei0 1,2-DIHYDROXYNAPHTHA
LENE DIOXYGENASE

(Pseudomonas sp.
C18) 		PF00903
(Glyoxalase) 		5 HIS A 215
TYR A 256
GLU A 266
HIS A 152
ALA A 203
 FE2  A 399 ( 3.3A)
BP7  A 400 ( 4.7A)
FE2  A 399 ( 2.5A)
FE2  A 399 ( 3.4A)
BP7  A 401 ( 3.9A)
 0.60A 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.
2wl3 CATECHOL
2,3-DIOXYGENASE

(Rhodococcus sp.
DK17) 		PF00903
(Glyoxalase) 		5 HIS A 212
TYR A 253
GLU A 263
HIS A 149
ALA A 200
 FE  A1289 (-3.6A)
None
FE  A1289 (-2.7A)
FE  A1289 (-3.5A)
None
 0.68A 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.
2y1h PUTATIVE
DEOXYRIBONUCLEASE
TATDN3

(Homo sapiens) 		PF01026
(TatD_DNase) 		5 HIS A 170
ARG A 149
GLU A 107
HIS A  14
ALA A 221
 ZN  A1273 (-3.2A)
PO4  A1275 ( 4.9A)
ZN  A1274 (-2.4A)
ZN  A1274 ( 3.3A)
PO4  A1275 ( 4.5A)
 1.12A 4ir0A-2y1hA:
undetectable
4ir0B-2y1hA:
undetectable		 4ir0A-2y1hA:
19.08
4ir0B-2y1hA:
19.08
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 215
TYR A 256
GLU A 266
HIS A 145
ALA A 203
 FE2  A 701 ( 3.3A)
None
FE2  A 701 ( 2.8A)
FE2  A 701 ( 3.3A)
None
 0.69A 4ir0A-2zi8A:
8.3
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 198
TYR A 239
GLU A 249
HIS A 144
ALA A 188
 MN  A 602 (-3.3A)
MN  A 602 (-4.6A)
MN  A 602 (-2.6A)
MN  A 602 (-3.5A)
None
 0.52A 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 214
ARG A 293
TYR A 257
GLU A 267
ALA A 203
 FE2  A 500 (-3.4A)
CL  A 501 (-4.3A)
None
FE2  A 500 (-2.7A)
None
 1.25A 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.
3eck PROTEIN
(HOMOPROTOCATECHUATE
2,3-DIOXYGENASE)

(Brevibacterium
fuscum) 		PF00903
(Glyoxalase) 		5 HIS A 214
TYR A 257
GLU A 267
HIS A 155
ALA A 203
 FE2  A 500 (-3.4A)
None
FE2  A 500 (-2.7A)
FE2  A 500 (-3.4A)
None
 0.59A 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 216
TYR A 257
GLU A 267
HIS A 154
ALA A 204
 FE  A 310 (-3.6A)
None
FE  A 310 (-2.8A)
FE  A 310 (-3.3A)
None
 0.80A 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 217
TYR A 258
GLU A 268
HIS A 155
ALA A 203
 FE  A 400 ( 3.4A)
None
FE  A 400 (-2.7A)
FE  A 400 ( 3.5A)
PEO  A 401 ( 3.7A)
 0.60A 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.
3nqx SECRETED
METALLOPROTEASE
MCP02

(Pseudoalteromonas
sp. SM9913) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 HIS A 428
TYR A 360
GLU A 369
HIS A 345
ASN A 317
 None
None
ZN  A   1 (-2.3A)
ZN  A   1 (-3.2A)
None
 1.44A 4ir0A-3nqxA:
undetectable
4ir0B-3nqxA:
undetectable		 4ir0A-3nqxA:
16.83
4ir0B-3nqxA:
16.83
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 218
ARG A 249
TYR A 256
GLU A 266
HIS A  11
 ZN  A 500 ( 3.4A)
None
SO4  A 501 (-4.7A)
ZN  A 500 ( 2.1A)
ZN  A 500 ( 3.3A)
 1.50A 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 209
TYR A 250
GLU A 260
HIS A 147
ALA A 194
 FE2  A 301 (-3.4A)
None
FE2  A 301 (-2.7A)
FE2  A 301 (-3.3A)
None
 0.71A 4ir0A-3vb0A:
6.3
4ir0B-3vb0A:
6.5		 4ir0A-3vb0A:
19.59
4ir0B-3vb0A:
19.59
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
 0.25A 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)
 0.20A 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
 0.45A 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 HIS A 242
TYR A 150
GLU A 196
TRP A 214
ALA A 215
 None
 1.44A 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  69
TYR A  94
GLU A 104
HIS A  18
ALA A  59
 NI  A 201 ( 3.2A)
TRS  A 202 (-4.9A)
NI  A 201 ( 2.8A)
NI  A 201 ( 3.4A)
None
 0.51A 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 HIS A 767
ARG A 797
TYR A 796
CYH A 768
ALA A 773
 None
 1.48A 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
 0.26A 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)
 0.22A 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.
5fxn THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 HIS A 231
TYR A 157
GLU A 166
HIS A 142
ASN A 112
 LYS  A1319 (-3.5A)
None
ZN  A1317 (-2.2A)
ZN  A1317 (-3.2A)
LYS  A1319 (-3.1A)
 1.44A 4ir0A-5fxnA:
undetectable
4ir0B-5fxnA:
undetectable		 4ir0A-5fxnA:
17.10
4ir0B-5fxnA:
17.10
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 521
TYR A 588
GLU A 599
HIS A 443
ASN A 498
 MG  A 702 (-3.5A)
None
MG  A 702 (-2.5A)
MG  A 702 (-3.3A)
None
 0.70A 4ir0A-5hmqA:
4.0
4ir0B-5hmqA:
5.6		 4ir0A-5hmqA:
11.77
4ir0B-5hmqA:
11.77
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.
5kci UNCHARACTERIZED
PROTEIN YPL067C

(Saccharomyces
cerevisiae) 		PF12239
(DUF3605) 		5 TYR A  96
HIS A 168
HIS A 166
TRP A 108
ASN A  92
 None
SO4  A 203 (-4.0A)
SO4  A 203 (-3.9A)
GOL  A 202 ( 4.3A)
None
 1.19A 4ir0A-5kciA:
undetectable
4ir0B-5kciA:
undetectable		 4ir0A-5kciA:
24.64
4ir0B-5kciA:
24.64
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
 0.51A 4ir0A-5vb0A:
14.8
4ir0B-5vb0A:
15.3		 4ir0A-5vb0A:
35.10
4ir0B-5vb0A:
35.10