SIMILAR PATTERNS OF AMINO ACIDS FOR 2CL5_A_SAMA1217_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.
1fok PROTEIN (FOKI
RESTRICTION
ENDONUCLEASE)

(Planomicrobium
okeanokoites) 		PF02980
(FokI_C)
PF02981
(FokI_N)
PF09254
(Endonuc-FokI_C)
PF16902
(Type2_restr_D3) 		5 MET A 433
GLY A 451
TYR A 436
TYR A 454
HIS A 442
 None
 1.40A 2cl5A-1fokA:
0.0		 2cl5A-1fokA:
19.47
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.
1m1j FIBRINOGEN BETA
CHAIN

(Gallus gallus) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		5 MET B 451
GLY B 446
TYR B 449
TYR B 421
SER B 362
 None
 1.37A 2cl5A-1m1jB:
undetectable		 2cl5A-1m1jB:
18.97
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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		5 MET A  61
GLY A  87
TYR A  89
TYR A  92
ASN A 113
 SPF  A 401 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
None
 0.73A 2cl5A-1susA:
21.4		 2cl5A-1susA:
25.48
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.
2zbm PROTEIN-TYROSINE-PHO
SPHATASE

(Shewanella sp.) 		PF00149
(Metallophos) 		5 ASN A 252
GLY A 208
TYR A 257
SER A  77
HIS A 207
 None
None
None
None
ZN  A 402 (-3.2A)
 1.48A 2cl5A-2zbmA:
1.3		 2cl5A-2zbmA:
22.74
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.
3bvh FIBRINOGEN BETA
CHAIN

(Homo sapiens) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		5 MET B 447
GLY B 442
TYR B 445
TYR B 417
SER B 358
 None
 1.30A 2cl5A-3bvhB:
undetectable		 2cl5A-3bvhB:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		5 GLY A  66
TYR A  68
SER A 119
HIS A 142
TRP A 143
 SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
SAM  A 301 (-3.1A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
 1.30A 2cl5A-3bwmA:
40.7		 2cl5A-3bwmA:
81.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		10 MET A  40
ASN A  41
VAL A  42
GLY A  66
TYR A  68
TYR A  71
ASN A  92
SER A 119
HIS A 142
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
None
SAM  A 301 (-3.1A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
 0.18A 2cl5A-3bwmA:
40.7		 2cl5A-3bwmA:
81.31
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.
3g68 PUTATIVE
PHOSPHOSUGAR
ISOMERASE

(Clostridioides
difficile) 		PF01380
(SIS) 		5 VAL A 270
ASN A 251
TYR A 250
SER A 257
TRP A 280
 None
 1.42A 2cl5A-3g68A:
undetectable		 2cl5A-3g68A:
21.69
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.
3o21 GLUTAMATE RECEPTOR 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 VAL A  27
GLY A   9
TYR A  71
SER A  64
HIS A  46
 None
 1.16A 2cl5A-3o21A:
5.2		 2cl5A-3o21A:
21.17
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.
4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12

(Arabidopsis
thaliana) 		PF03321
(GH3) 		5 VAL A 345
GLY A 404
TYR A 347
ASN A 407
TYR A 406
 None
None
APC  A 603 (-4.4A)
None
None
 1.44A 2cl5A-4l39A:
0.9		 2cl5A-4l39A:
17.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		6 GLY A 109
TYR A 114
ASN A 135
TYR A 138
SER A 162
HIS A 185
 2F6  A 301 (-3.6A)
None
None
None
2F6  A 301 (-3.2A)
None
 0.37A 2cl5A-4p58A:
33.8		 2cl5A-4p58A:
97.64
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.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		5 VAL A 394
GLY A 599
TYR A 448
ASN A 596
SER A 152
 None
 1.48A 2cl5A-4txgA:
0.9		 2cl5A-4txgA:
15.04
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.
4up3 THIOREDOXIN
REDUCTASE

(Entamoeba
histolytica) 		PF07992
(Pyr_redox_2) 		5 MET A 156
VAL A 178
GLY A 159
TYR A 244
HIS A 182
 None
None
NDP  A1316 ( 4.0A)
None
NDP  A1316 (-4.5A)
 1.40A 2cl5A-4up3A:
3.8		 2cl5A-4up3A:
21.17
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.
4xsr ALR3699 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 ASN B 200
VAL B 229
GLY B 204
SER B 207
HIS B 205
 None
None
None
UPG  B 403 ( 4.7A)
None
 1.21A 2cl5A-4xsrB:
4.2		 2cl5A-4xsrB:
20.16
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.
5g52 VP1

(Deformed wing
virus) 		PF08762
(CRPV_capsid) 		5 ASN A 181
VAL A 197
GLY A 200
TYR A 175
SER A 203
 None
 1.50A 2cl5A-5g52A:
undetectable		 2cl5A-5g52A:
21.38
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.
5gai TAIL FIBER PROTEIN

(Salmonella
virus P22) 		no annotation 5 VAL Y 237
GLY Y 302
TYR Y 233
TYR Y 329
SER Y 198
 None
 1.25A 2cl5A-5gaiY:
undetectable		 2cl5A-5gaiY:
15.74
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.
5upb ACETOACETATE
DECARBOXYLASE

(Sphingomonas
wittichii) 		PF06314
(ADC) 		5 GLY A 183
TYR A  99
ASN A 118
SER A 198
HIS A 184
 None
 1.41A 2cl5A-5upbA:
undetectable		 2cl5A-5upbA:
19.47
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.
6b6l GLYCOSYL HYDROLASE
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 5 ASN A 163
GLY A 117
TYR A 119
ASN A 359
TYR A 138
 None
 1.48A 2cl5A-6b6lA:
2.3		 2cl5A-6b6lA:
13.45