SIMILAR PATTERNS OF AMINO ACIDS FOR 2BR4_B_SAMB301_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.
1te2 2-DEOXYGLUCOSE-6-P
PHOSPHATASE

(Escherichia
coli) 		PF13419
(HAD_2) 		4 LEU A 113
SER A 147
ASP A  15
ASP A  20
 None
PGA  A 711 ( 4.8A)
PGA  A 711 ( 3.6A)
None
 1.47A 2br4B-1te2A:
3.3		 2br4B-1te2A:
25.87
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.
1w78 FOLC BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 LEU A  30
SER A 183
ASP A 175
ASP A 335
 PD8  A1421 ( 4.7A)
None
None
None
 1.26A 2br4B-1w78A:
undetectable		 2br4B-1w78A:
20.71
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.
2amg 1,4-ALPHA-D-GLUCAN
MALTOTETRAHYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		4 LEU A 220
SER A 225
ASP A 154
ASP A 162
 None
None
None
CA  A 451 (-3.3A)
 1.49A 2br4B-2amgA:
undetectable		 2br4B-2amgA:
22.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus) 		PF04989
(CmcI) 		4 LEU A  18
SER A  95
ASP A 116
ASP A 138
 SAM  A 301 ( 4.4A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
 0.24A 2br4B-2br4A:
35.3		 2br4B-2br4A:
100.00
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.
2ek8 AMINOPEPTIDASE

(Aneurinibacillus
sp. AM-1) 		PF02225
(PA)
PF04389
(Peptidase_M28) 		4 LEU A 360
SER A 279
ASP A 241
ASP A 375
 None
None
ZN  A1002 ( 4.7A)
None
 1.19A 2br4B-2ek8A:
undetectable		 2br4B-2ek8A:
18.03
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.
2ogj DIHYDROOROTASE

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		4 LEU A 140
SER A 179
ASP A 291
ASP A  75
 None
None
ZN  A 418 (-2.5A)
None
 1.27A 2br4B-2ogjA:
undetectable		 2br4B-2ogjA:
20.71
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.
2okk GLUTAMATE
DECARBOXYLASE 2

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 LEU A 182
SER A 405
ASP A 364
ASP A 345
 ABU  A 585 ( 3.9A)
LLP  A 396 ( 4.9A)
LLP  A 396 ( 2.6A)
None
 1.35A 2br4B-2okkA:
2.5		 2br4B-2okkA:
18.81
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.
2v4n MULTIFUNCTIONAL
PROTEIN SUR E

(Salmonella
enterica) 		PF01975
(SurE) 		4 LEU A 227
SER A 124
ASP A 213
ASP A 207
 None
 1.18A 2br4B-2v4nA:
undetectable		 2br4B-2v4nA:
21.25
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.
3c3w TWO COMPONENT
TRANSCRIPTIONAL
REGULATORY PROTEIN
DEVR

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg)
PF00196
(GerE) 		4 LEU A 188
SER A  83
ASP A 105
ASP A 145
 None
 1.29A 2br4B-3c3wA:
2.4		 2br4B-3c3wA:
20.47
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.
3c87 ENTEROCHELIN
ESTERASE

(Shigella
flexneri) 		PF00756
(Esterase)
PF11806
(DUF3327) 		4 LEU A 137
SER A 307
ASP A 201
ASP A 233
 None
 1.13A 2br4B-3c87A:
2.9		 2br4B-3c87A:
19.60
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.
3lfj PHOSPHOTRANSFERASE
SYSTEM,
MANNOSE/FRUCTOSE/N-A
CETYLGALACTOSAMINE-S
PECIFIC COMPONENT
IIB

(Caldanaerobacter
subterraneus) 		PF03830
(PTSIIB_sorb) 		4 LEU A 134
SER A 124
ASP A  88
ASP A  36
 None
 1.48A 2br4B-3lfjA:
undetectable		 2br4B-3lfjA:
18.64
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.
3ty2 5'-NUCLEOTIDASE SURE

(Coxiella
burnetii) 		PF01975
(SurE) 		4 LEU A 239
SER A 134
ASP A 225
ASP A 219
 None
 1.16A 2br4B-3ty2A:
undetectable		 2br4B-3ty2A:
21.82
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.
4dwe UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF15421
(Polysacc_deac_3) 		4 LEU A 250
SER A 276
ASP A 256
ASP A 219
 None
 1.31A 2br4B-4dweA:
undetectable		 2br4B-4dweA:
21.30
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.
4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE

(Chromobacterium
violaceum) 		PF01979
(Amidohydro_1) 		4 LEU A  91
SER A 287
ASP A 307
ASP A 129
 NOS  A 501 ( 4.8A)
None
NOS  A 501 (-2.8A)
None
 1.23A 2br4B-4f0sA:
undetectable		 2br4B-4f0sA:
19.64
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.
4jqo ORNITHINE
CARBAMOYLTRANSFERASE

(Vibrio
vulnificus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 LEU A  13
SER A  28
ASP A 142
ASP A 233
 CL  A 403 (-3.9A)
None
None
CIR  A 402 (-3.2A)
 1.37A 2br4B-4jqoA:
5.1		 2br4B-4jqoA:
19.39
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.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LEU A 895
SER A 668
ASP A 914
ASP A 525
 None
 1.35A 2br4B-4mz0A:
undetectable		 2br4B-4mz0A:
14.94
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.
4oyd APOPTOSIS REGULATOR
BHRF1
COMPUTATIONALLY
DESIGNED INHIBITOR

(Human
gammaherpesvirus
4;
synthetic
construct) 		PF00452
(Bcl-2)
no annotation 		4 LEU A  53
SER A  97
ASP A 156
ASP B  72
 None
 1.28A 2br4B-4oydA:
undetectable		 2br4B-4oydA:
22.04
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.
4p0d TRYPSIN-RESISTANT
SURFACE T6 PROTEIN

(Streptococcus
pyogenes) 		PF16569
(GramPos_pilinBB) 		4 LEU A 233
SER A 239
ASP A 227
ASP A 343
 None
 1.29A 2br4B-4p0dA:
undetectable		 2br4B-4p0dA:
17.15
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.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		4 LEU A 528
SER A 693
ASP A 307
ASP A 305
 None
 1.11A 2br4B-4qi4A:
3.0		 2br4B-4qi4A:
18.57
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.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		4 LEU A 528
SER A 693
ASP A 307
ASP A 305
 None
 1.14A 2br4B-4qi6A:
undetectable		 2br4B-4qi6A:
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.
4w8l ENDO-1,4-BETA-XYLANA
SE C

(Paenibacillus
barcinonensis) 		PF00331
(Glyco_hydro_10) 		4 LEU A 545
SER A 490
ASP A 505
ASP A 500
 None
None
None
CA  A1101 (-2.9A)
 1.32A 2br4B-4w8lA:
undetectable		 2br4B-4w8lA:
24.07
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.
4zm4 AMINOTRANSFERASE

(Streptomyces
pactum) 		PF00202
(Aminotran_3) 		4 LEU A 328
SER A 421
ASP A  73
ASP A  78
 None
 1.43A 2br4B-4zm4A:
2.2		 2br4B-4zm4A:
19.55
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.
5f4z EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		4 LEU A 311
SER A 300
ASP A 175
ASP A 336
 None
None
5V4  A 408 (-3.0A)
None
 1.38A 2br4B-5f4zA:
undetectable		 2br4B-5f4zA:
21.07
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.
5m6g BETA-GLUCOSIDASE

(Saccharopolyspora
erythraea) 		no annotation 4 LEU A  89
SER A 273
ASP A 310
ASP A 315
 None
None
SOR  A 711 ( 3.2A)
None
 1.49A 2br4B-5m6gA:
undetectable		 2br4B-5m6gA:
16.28
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.
5y3r X-RAY REPAIR
CROSS-COMPLEMENTING
PROTEIN 6

(Homo sapiens) 		PF02735
(Ku)
PF03730
(Ku_C)
PF03731
(Ku_N) 		4 LEU A 119
SER A  73
ASP A 109
ASP A 156
 None
 1.21A 2br4B-5y3rA:
2.2		 2br4B-5y3rA:
18.47