SIMILAR PATTERNS OF AMINO ACIDS FOR 4KN2_B_LYAB304_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.
1pzs SUPEROXIDE DISMUTASE
[CU-ZN]

(Mycobacterium
tuberculosis) 		PF00080
(Sod_Cu) 		5 ASP A 114
THR A 111
HIS A  81
SER A  87
TYR A  76
 None
 1.46A 4kn2B-1pzsA:
undetectable		 4kn2B-1pzsA:
17.35
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.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ASP A 155
THR A 193
TYR A 186
GLY A 251
TYR A 182
 CA  A1670 ( 3.6A)
None
None
None
None
 1.25A 4kn2B-1r9jA:
0.0		 4kn2B-1r9jA:
15.64
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.
1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ASP A 937
THR A 893
HIS A 825
ARG A 732
GLY A 730
 MG  A2123 (-2.5A)
None
None
None
None
 1.27A 4kn2B-1sojA:
0.0		 4kn2B-1sojA:
18.21
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.
2a9c SULFITE OXIDASE

(Gallus gallus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 ASP A 332
THR A 333
TRP A 447
ARG A 197
GLY A 201
 None
None
None
None
SO4  A7503 (-3.2A)
 1.49A 4kn2B-2a9cA:
0.0		 4kn2B-2a9cA:
18.90
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ASP A  99
TRP A 234
HIS A 398
GLY A 216
TYR A  95
 None
FAD  A1000 ( 4.4A)
None
None
None
 1.50A 4kn2B-2fjaA:
0.0		 4kn2B-2fjaA:
14.26
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		5 THR A 495
ARG A 630
GLY A 637
SER A 733
TYR A 696
 None
 1.28A 4kn2B-2g28A:
0.0		 4kn2B-2g28A:
12.24
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.
3cdx SUCCINYLGLUTAMATEDES
UCCINYLASE/ASPARTOAC
YLASE

(Rhodobacter
sphaeroides) 		PF04952
(AstE_AspA) 		5 ASP A 330
THR A 327
GLY A 110
SER A 153
TYR A 154
 None
 1.29A 4kn2B-3cdxA:
undetectable		 4kn2B-3cdxA:
19.40
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.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2) 		5 ASP A  96
THR A 333
TRP A 251
HIS A 418
GLY A 233
 None
None
FAD  A1000 (-3.7A)
FAD  A1000 (-4.5A)
None
 1.40A 4kn2B-3gyxA:
0.0		 4kn2B-3gyxA:
14.68
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.
3tal DNA DOUBLE-STRAND
BREAK REPAIR PROTEIN
NURA

(Pyrococcus
furiosus) 		PF09376
(NurA) 		5 ASP A 193
THR A 192
ARG A  98
GLY A  91
TYR A  82
 None
 1.24A 4kn2B-3talA:
0.0		 4kn2B-3talA:
17.63
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.
4jhr G-PROTEIN-SIGNALING
MODULATOR 2

(Mus musculus) 		PF02188
(GoLoco)
PF13176
(TPR_7)
PF13424
(TPR_12) 		5 THR A 261
TYR A 258
ARG A 316
GLY A 616
TYR A 297
 None
 1.15A 4kn2B-4jhrA:
undetectable		 4kn2B-4jhrA:
21.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kmz FOLATE RECEPTOR BETA

(Homo sapiens) 		PF03024
(Folate_rec) 		6 ASP A  97
ARG A 122
HIS A 151
ARG A 152
GLY A 153
TRP A 187
 FOL  A 301 (-2.8A)
FOL  A 301 ( 4.4A)
FOL  A 301 (-3.9A)
FOL  A 301 (-4.0A)
FOL  A 301 (-4.0A)
FOL  A 301 (-3.5A)
 1.42A 4kn2B-4kmzA:
37.5		 4kn2B-4kmzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kmz FOLATE RECEPTOR BETA

(Homo sapiens) 		PF03024
(Folate_rec) 		12 ASP A  97
THR A  98
TYR A 101
TRP A 118
ARG A 119
HIS A 151
ARG A 152
GLY A 153
TRP A 156
TRP A 187
SER A 190
TYR A 191
 FOL  A 301 (-2.8A)
FOL  A 301 ( 4.6A)
FOL  A 301 (-3.8A)
FOL  A 301 (-4.0A)
FOL  A 301 (-3.0A)
FOL  A 301 (-3.9A)
FOL  A 301 (-4.0A)
FOL  A 301 (-4.0A)
FOL  A 301 (-3.7A)
FOL  A 301 (-3.5A)
FOL  A 301 (-2.6A)
FOL  A 301 (-4.1A)
 0.29A 4kn2B-4kmzA:
37.5		 4kn2B-4kmzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lrh FOLATE RECEPTOR
ALPHA

(Homo sapiens) 		PF03024
(Folate_rec) 		5 ASP A  81
ARG A 106
HIS A 135
GLY A 137
TRP A 171
 FOL  A 301 (-2.7A)
FOL  A 301 (-3.8A)
FOL  A 301 (-4.1A)
FOL  A 301 (-4.3A)
FOL  A 301 (-3.7A)
 0.94A 4kn2B-4lrhA:
34.7		 4kn2B-4lrhA:
77.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lrh FOLATE RECEPTOR
ALPHA

(Homo sapiens) 		PF03024
(Folate_rec) 		11 ASP A  81
THR A  82
TYR A  85
TRP A 102
ARG A 103
HIS A 135
GLY A 137
TRP A 140
TRP A 171
SER A 174
TYR A 175
 FOL  A 301 (-2.7A)
None
FOL  A 301 (-4.1A)
FOL  A 301 (-4.2A)
FOL  A 301 (-3.2A)
FOL  A 301 (-4.1A)
FOL  A 301 (-4.3A)
FOL  A 301 (-3.6A)
FOL  A 301 (-3.7A)
FOL  A 301 (-2.8A)
FOL  A 301 (-4.1A)
 0.42A 4kn2B-4lrhA:
34.7		 4kn2B-4lrhA:
77.36
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.
4x9e DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE

(Escherichia
coli) 		PF01966
(HD) 		5 TYR A  16
ARG A 198
HIS A 194
ARG A 191
GLY A 189
 C  G   1 ( 3.3A)
C  G   1 ( 4.5A)
None
None
None
 1.32A 4kn2B-4x9eA:
undetectable		 4kn2B-4x9eA:
16.29
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		5 TYR A 489
TRP A 150
HIS A 388
GLY A 362
SER A  77
 None
 1.21A 4kn2B-5cslA:
undetectable		 4kn2B-5cslA:
6.18
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.
5f7u CYCLOALTERNAN-FORMIN
G ENZYME

(Listeria
monocytogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF16990
(CBM_35) 		5 THR A 124
TYR A 122
ARG A  53
ARG A 573
GLY A 572
 None
 1.09A 4kn2B-5f7uA:
undetectable		 4kn2B-5f7uA:
10.54