SIMILAR PATTERNS OF AMINO ACIDS FOR 6BP4_B_SAMB505_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.
1ewi REPLICATION PROTEIN
A

(Homo sapiens) 		PF04057
(Rep-A_N) 		5 GLY A  49
ILE A  10
CYH A  77
CYH A  75
LEU A  25
 None
 1.49A 6bp4B-1ewiA:
undetectable		 6bp4B-1ewiA:
15.88
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.
1k2f SIAH-1A PROTEIN

(Mus musculus) 		PF03145
(Sina) 		5 GLY A 213
HIS A 147
CYH A 128
CYH A 130
GLY A 139
 None
ZN  A 601 (-3.0A)
ZN  A 601 (-2.1A)
BME  A 550 (-2.1A)
None
 1.27A 6bp4B-1k2fA:
undetectable		 6bp4B-1k2fA:
20.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mvh CRYPTIC LOCI
REGULATOR 4

(Schizosaccharomyces
pombe) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 LYS A 338
GLY A 339
TRP A 340
TYR A 381
HIS A 410
 None
 0.88A 6bp4B-1mvhA:
34.9		 6bp4B-1mvhA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1peg HISTONE H3
METHYLTRANSFERASE
DIM-5

(Neurospora
crassa) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A 146
TYR A 104
CYH A 138
CYH A 128
GLY A 112
 None
None
ZN  A   2 (-2.3A)
ZN  A   2 ( 2.3A)
None
 1.02A 6bp4B-1pegA:
28.3		 6bp4B-1pegA:
37.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1peg HISTONE H3
METHYLTRANSFERASE
DIM-5

(Neurospora
crassa) 		PF00856
(SET)
PF05033
(Pre-SET) 		8 GLY A 160
TRP A 161
TYR A 204
HIS A 242
TYR A 283
CYH A 306
CYH A 308
LEU A 317
 SAH  A 319 ( 4.6A)
SAH  A 319 (-4.8A)
SAH  A 319 (-4.0A)
SAH  A 319 (-4.3A)
SAH  A 319 (-4.7A)
ZN  A   4 ( 2.3A)
ZN  A   4 (-2.2A)
SAH  A 319 (-3.9A)
 0.85A 6bp4B-1pegA:
28.3		 6bp4B-1pegA:
37.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1peg HISTONE H3
METHYLTRANSFERASE
DIM-5

(Neurospora
crassa) 		PF00856
(SET)
PF05033
(Pre-SET) 		6 GLY A 160
TRP A 161
TYR A 204
HIS A 242
TYR A 283
CYH A 308
 SAH  A 319 ( 4.6A)
SAH  A 319 (-4.8A)
SAH  A 319 (-4.0A)
SAH  A 319 (-4.3A)
SAH  A 319 (-4.7A)
ZN  A   4 (-2.2A)
 1.21A 6bp4B-1pegA:
28.3		 6bp4B-1pegA:
37.76
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.
1pk9 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		5 GLY A  89
ILE A 199
TYR A 186
LEU A 153
GLY A 106
 PO4  A 309 (-3.5A)
None
None
None
None
 1.41A 6bp4B-1pk9A:
undetectable		 6bp4B-1pk9A:
20.13
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.
1rrm LACTALDEHYDE
REDUCTASE

(Escherichia
coli) 		PF00465
(Fe-ADH) 		5 ILE A 206
HIS A 263
CYH A 362
LEU A 259
GLY A 204
 None
ZN  A 387 ( 3.3A)
FE2  A 388 (-2.4A)
FE2  A 388 ( 4.1A)
None
 1.43A 6bp4B-1rrmA:
undetectable		 6bp4B-1rrmA:
19.80
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 ILE A 247
TYR A 228
CYH A 197
LEU A 196
GLY A 249
 None
 1.11A 6bp4B-1to6A:
undetectable		 6bp4B-1to6A:
21.96
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.
2atp T-CELL SURFACE
GLYCOPROTEIN CD8
ALPHA CHAIN
T-CELL SURFACE
GLYCOPROTEIN CD8
BETA CHAIN

(Mus musculus;
Mus musculus) 		PF07686
(V-set)
PF07686
(V-set) 		5 LYS B 103
GLY B 100
ILE A 105
TYR B  32
LEU A  39
 None
 1.09A 6bp4B-2atpB:
undetectable		 6bp4B-2atpB:
15.56
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.
2dwu GLUTAMATE RACEMASE

(Bacillus
anthracis) 		PF01177
(Asp_Glu_race) 		5 ILE A 185
TYR A 130
HIS A 146
LEU A 176
GLY A 117
 None
 1.32A 6bp4B-2dwuA:
undetectable		 6bp4B-2dwuA:
21.16
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.
2e0p ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF12891
(Glyco_hydro_44) 		5 GLY A 229
ILE A 227
TYR A 104
LEU A 106
GLY A 180
 None
 1.34A 6bp4B-2e0pA:
undetectable		 6bp4B-2e0pA:
19.54
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.
2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 178
HIS A  66
TYR A  92
CYH A  44
GLY A 172
 None
ZN  A 376 (-3.3A)
None
ZN  A 376 (-2.4A)
None
 1.48A 6bp4B-2fzwA:
undetectable		 6bp4B-2fzwA:
20.51
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.
2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 178
HIS A  66
TYR A  92
LEU A  67
GLY A 172
 None
ZN  A 376 (-3.3A)
None
None
None
 1.43A 6bp4B-2fzwA:
undetectable		 6bp4B-2fzwA:
20.51
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.
2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 201
ILE A 175
HIS A  66
LEU A  67
GLY A 172
 NAD  A1377 (-3.8A)
None
ZN  A 376 (-3.3A)
None
None
 1.28A 6bp4B-2fzwA:
undetectable		 6bp4B-2fzwA:
20.51
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.
2i00 ACETYLTRANSFERASE,
GNAT FAMILY

(Enterococcus
faecalis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 GLY A  64
TRP A  65
ILE A  75
LEU A  57
GLY A  96
 None
 1.39A 6bp4B-2i00A:
undetectable		 6bp4B-2i00A:
21.73
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.
2kg5 ARF-GAP, RHO-GAP
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN 3

(Homo sapiens) 		PF07647
(SAM_2) 		5 GLY A  73
ILE A  69
TYR A  41
ARG A  75
LEU A  79
 None
 1.40A 6bp4B-2kg5A:
undetectable		 6bp4B-2kg5A:
16.50
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.
2pfk 6-PHOSPHOFRUCTOKINAS
E ISOZYME I

(Escherichia
coli) 		PF00365
(PFK) 		5 GLY A 268
ILE A 137
TYR A 106
CYH A 119
GLY A 101
 None
 1.10A 6bp4B-2pfkA:
undetectable		 6bp4B-2pfkA:
22.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		8 GLY A 151
TRP A 152
TYR A 193
HIS A 220
TYR A 261
CYH A 287
CYH A 289
LEU A 298
 SAM  A 304 (-3.5A)
None
SAM  A 304 (-4.2A)
SAM  A 304 (-4.9A)
SAM  A 304 (-4.9A)
ZN  A 300 ( 2.3A)
ZN  A 300 ( 2.3A)
SAM  A 304 (-4.7A)
 0.63A 6bp4B-2r3aA:
29.3		 6bp4B-2r3aA:
38.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		6 GLY A 151
TRP A 152
TYR A 193
HIS A 220
TYR A 261
CYH A 289
 SAM  A 304 (-3.5A)
None
SAM  A 304 (-4.2A)
SAM  A 304 (-4.9A)
SAM  A 304 (-4.9A)
ZN  A 300 ( 2.3A)
 1.48A 6bp4B-2r3aA:
29.3		 6bp4B-2r3aA:
38.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		6 GLY A 153
TYR A 193
HIS A 220
TYR A 261
CYH A 287
CYH A 289
 None
SAM  A 304 (-4.2A)
SAM  A 304 (-4.9A)
SAM  A 304 (-4.9A)
ZN  A 300 ( 2.3A)
ZN  A 300 ( 2.3A)
 1.49A 6bp4B-2r3aA:
29.3		 6bp4B-2r3aA:
38.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A 153
TYR A 193
HIS A 220
TYR A 261
CYH A 289
 None
SAM  A 304 (-4.2A)
SAM  A 304 (-4.9A)
SAM  A 304 (-4.9A)
ZN  A 300 ( 2.3A)
 1.17A 6bp4B-2r3aA:
29.3		 6bp4B-2r3aA:
38.44
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.
2vx4 CELLVIBRIO JAPONICUS
MANNANASE CJMAN26C

(Cellvibrio
japonicus) 		PF02156
(Glyco_hydro_26) 		5 GLY A 164
TYR A 189
HIS A 156
LEU A 129
GLY A 120
 None
None
GOL  A1420 ( 4.1A)
GOL  A1420 (-4.1A)
None
 1.22A 6bp4B-2vx4A:
undetectable		 6bp4B-2vx4A:
21.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w5z HISTONE-LYSINE
N-METHYLTRANSFERASE
HRX

(Homo sapiens) 		PF00856
(SET) 		6 GLY A3840
TYR A3883
HIS A3907
TYR A3944
CYH A3957
CYH A3959
 SAH  A4971 ( 3.7A)
None
SAH  A4971 (-4.7A)
SAH  A4971 (-4.9A)
ZN  A4970 ( 2.3A)
ZN  A4970 (-2.3A)
 0.67A 6bp4B-2w5zA:
12.0		 6bp4B-2w5zA:
30.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w5z HISTONE-LYSINE
N-METHYLTRANSFERASE
HRX

(Homo sapiens) 		PF00856
(SET) 		5 GLY A3842
TYR A3883
HIS A3907
TYR A3944
CYH A3959
 None
None
SAH  A4971 (-4.7A)
SAH  A4971 (-4.9A)
ZN  A4970 (-2.3A)
 1.35A 6bp4B-2w5zA:
12.0		 6bp4B-2w5zA:
30.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w5z HISTONE-LYSINE
N-METHYLTRANSFERASE
HRX

(Homo sapiens) 		PF00856
(SET) 		5 HIS A3907
TYR A3944
CYH A3957
CYH A3959
LEU A3968
 SAH  A4971 (-4.7A)
SAH  A4971 (-4.9A)
ZN  A4970 ( 2.3A)
ZN  A4970 (-2.3A)
SAH  A4971 ( 4.9A)
 0.40A 6bp4B-2w5zA:
12.0		 6bp4B-2w5zA:
30.26
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.
3aka PUTATIVE CALCIUM
BINDING PROTEIN

(Streptomyces
coelicolor) 		PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		5 GLY A  42
TYR A  54
ARG A  49
LEU A  53
GLY A  50
 None
 1.32A 6bp4B-3akaA:
undetectable		 6bp4B-3akaA:
19.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		6 GLY A 138
TYR A 178
HIS A 210
TYR A 248
CYH A 273
CYH A 275
 None
SAH  A 305 (-4.0A)
None
SAH  A 305 (-4.9A)
ZN  A 304 ( 2.3A)
ZN  A 304 ( 2.3A)
 1.33A 6bp4B-3bo5A:
26.0		 6bp4B-3bo5A:
32.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A 138
TYR A 178
HIS A 210
TYR A 248
CYH A 275
 None
SAH  A 305 (-4.0A)
None
SAH  A 305 (-4.9A)
ZN  A 304 ( 2.3A)
 0.90A 6bp4B-3bo5A:
26.0		 6bp4B-3bo5A:
32.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		9 LYS A 135
GLY A 136
TRP A 137
TYR A 178
HIS A 210
TYR A 248
CYH A 273
CYH A 275
LEU A 284
 None
SAH  A 305 (-3.8A)
None
SAH  A 305 (-4.0A)
None
SAH  A 305 (-4.9A)
ZN  A 304 ( 2.3A)
ZN  A 304 ( 2.3A)
SAH  A 305 (-4.5A)
 0.50A 6bp4B-3bo5A:
26.0		 6bp4B-3bo5A:
32.92
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.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 TRP A 674
ILE A 554
HIS A 538
LEU A 540
GLY A 556
 None
 1.36A 6bp4B-3cttA:
undetectable		 6bp4B-3cttA:
17.17
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.
3gdc MULTICOPPER OXIDASE

(Arthrobacter
sp. FB24) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 138
ILE A 162
HIS A 104
LEU A 141
GLY A 160
 None
None
CU  A 303 ( 3.2A)
None
None
 1.48A 6bp4B-3gdcA:
undetectable		 6bp4B-3gdcA:
22.78
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.
3gdc MULTICOPPER OXIDASE

(Arthrobacter
sp. FB24) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 245
ILE A 162
HIS A 104
LEU A 141
GLY A 160
 None
None
CU  A 303 ( 3.2A)
None
None
 1.35A 6bp4B-3gdcA:
undetectable		 6bp4B-3gdcA:
22.78
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.
3git CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF03598
(CdhC) 		5 GLY A 638
ILE A 635
CYH A 506
LEU A 527
GLY A 646
 None
None
SF4  A 738 (-2.3A)
SF4  A 738 (-4.0A)
None
 1.46A 6bp4B-3gitA:
undetectable		 6bp4B-3gitA:
20.27
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.
3iwk AMINOALDEHYDE
DEHYDROGENASE

(Pisum sativum) 		PF00171
(Aldedh) 		5 LYS A 245
GLY A 243
ILE A 158
HIS A 219
GLY A 222
 NAD  A 505 (-2.7A)
None
None
None
NAD  A 505 (-3.8A)
 1.20A 6bp4B-3iwkA:
undetectable		 6bp4B-3iwkA:
19.21
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 TRP A 703
ILE A 583
HIS A 567
LEU A 569
GLY A 585
 None
 1.39A 6bp4B-3lppA:
undetectable		 6bp4B-3lppA:
14.93
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  16
HIS A 206
TYR A 252
CYH A 274
CYH A 276
 None
None
SFG  A 491 (-4.8A)
ZN  A 497 (-2.2A)
ZN  A 497 (-2.5A)
 0.94A 6bp4B-3n71A:
5.5		 6bp4B-3n71A:
18.61
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 LYS A  17
GLY A  18
HIS A 206
TYR A 252
CYH A 274
 SFG  A 491 (-4.7A)
SFG  A 491 ( 4.2A)
None
SFG  A 491 (-4.8A)
ZN  A 497 (-2.2A)
 0.85A 6bp4B-3n71A:
5.5		 6bp4B-3n71A:
18.61
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 LYS A  17
GLY A  18
HIS A 206
TYR A 252
CYH A 274
 SFG  A 491 (-4.7A)
SFG  A 491 ( 4.2A)
None
SFG  A 491 (-4.8A)
ZN  A 497 (-2.2A)
 1.41A 6bp4B-3n71A:
5.5		 6bp4B-3n71A:
18.61
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.
3ooi HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC

(Homo sapiens) 		PF00856
(SET) 		7 GLY A 102
TRP A 103
TYR A 146
HIS A 170
CYH A 219
CYH A 221
LEU A 230
 SAM  A 237 ( 3.7A)
None
SAM  A 237 (-4.1A)
SAM  A 237 (-4.7A)
ZN  A 232 ( 2.3A)
ZN  A 232 (-2.3A)
SAM  A 237 (-4.8A)
 0.76A 6bp4B-3ooiA:
19.5		 6bp4B-3ooiA:
27.57
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.
3ooi HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC

(Homo sapiens) 		PF00856
(SET) 		7 GLY A 102
TRP A 103
TYR A 146
HIS A 170
TYR A 207
CYH A 219
CYH A 221
 SAM  A 237 ( 3.7A)
None
SAM  A 237 (-4.1A)
SAM  A 237 (-4.7A)
None
ZN  A 232 ( 2.3A)
ZN  A 232 (-2.3A)
 0.38A 6bp4B-3ooiA:
19.5		 6bp4B-3ooiA:
27.57
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.
3ooi HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC

(Homo sapiens) 		PF00856
(SET) 		6 GLY A 102
TRP A 103
TYR A 146
HIS A 170
TYR A 207
CYH A 221
 SAM  A 237 ( 3.7A)
None
SAM  A 237 (-4.1A)
SAM  A 237 (-4.7A)
None
ZN  A 232 (-2.3A)
 1.32A 6bp4B-3ooiA:
19.5		 6bp4B-3ooiA:
27.57
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.
3ooi HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC

(Homo sapiens) 		PF00856
(SET) 		5 GLY A 104
TYR A 146
HIS A 170
TYR A 207
CYH A 221
 None
SAM  A 237 (-4.1A)
SAM  A 237 (-4.7A)
None
ZN  A 232 (-2.3A)
 0.87A 6bp4B-3ooiA:
19.5		 6bp4B-3ooiA:
27.57
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.
3ooi HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC

(Homo sapiens) 		PF00856
(SET) 		5 GLY A 104
TYR A 146
HIS A 170
TYR A 207
CYH A 221
 None
SAM  A 237 (-4.1A)
SAM  A 237 (-4.7A)
None
ZN  A 232 (-2.3A)
 1.44A 6bp4B-3ooiA:
19.5		 6bp4B-3ooiA:
27.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ope PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L

(Homo sapiens) 		PF00856
(SET) 		8 LYS A2150
GLY A2151
TRP A2152
TYR A2194
HIS A2218
TYR A2255
CYH A2268
CYH A2270
 None
SAM  A   7 (-3.4A)
None
SAM  A   7 (-3.4A)
None
None
ZN  A   1 ( 2.5A)
ZN  A   1 (-2.7A)
 0.57A 6bp4B-3opeA:
18.7		 6bp4B-3opeA:
30.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ope PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L

(Homo sapiens) 		PF00856
(SET) 		7 LYS A2150
GLY A2151
TRP A2152
TYR A2194
HIS A2218
TYR A2255
CYH A2270
 None
SAM  A   7 (-3.4A)
None
SAM  A   7 (-3.4A)
None
None
ZN  A   1 (-2.7A)
 1.38A 6bp4B-3opeA:
18.7		 6bp4B-3opeA:
30.07
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.
3p14 L-RHAMNOSE ISOMERASE

(Bacillus
halodurans) 		PF06134
(RhaA) 		5 ILE A  95
TYR A  96
HIS A 113
ARG A 106
LEU A 109
 None
 1.21A 6bp4B-3p14A:
undetectable		 6bp4B-3p14A:
20.05
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.
3plw RECOMBINATION
ENHANCEMENT FUNCTION
PROTEIN

(Escherichia
virus P1) 		PF16786
(RecA_dep_nuc) 		5 ILE A 114
HIS A 133
CYH A  96
CYH A  99
LEU A 129
 None
ZN  A 188 (-3.2A)
ZN  A 188 (-2.3A)
ZN  A 188 (-2.2A)
None
 1.27A 6bp4B-3plwA:
undetectable		 6bp4B-3plwA:
19.03
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.
3thc BETA-GALACTOSIDASE

(Homo sapiens) 		PF01301
(Glyco_hydro_35)
PF13364
(BetaGal_dom4_5) 		5 GLY A 133
ILE A 489
TYR A 192
TYR A 154
LEU A 139
 None
 1.40A 6bp4B-3thcA:
undetectable		 6bp4B-3thcA:
19.03
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.
3zfx EPHRIN TYPE-B
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 GLY A 673
ILE A 671
TYR A 740
HIS A 677
TYR A 734
 None
 1.40A 6bp4B-3zfxA:
undetectable		 6bp4B-3zfxA:
19.57
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.
4a3s 6-PHOSPHOFRUCTOKINAS
E

(Bacillus
subtilis) 		PF00365
(PFK) 		5 GLY A 268
ILE A 137
TYR A 106
CYH A 119
GLY A 101
 None
 1.01A 6bp4B-4a3sA:
undetectable		 6bp4B-4a3sA:
19.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fmu HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD2

(Homo sapiens) 		PF00856
(SET) 		8 LYS A1560
GLY A1561
TRP A1562
TYR A1605
HIS A1629
CYH A1678
CYH A1680
LEU A1689
 None
0UM  A1804 (-3.5A)
None
0UM  A1804 (-4.2A)
None
ZN  A1803 ( 2.2A)
ZN  A1803 (-2.2A)
0UM  A1804 (-4.8A)
 0.61A 6bp4B-4fmuA:
18.2		 6bp4B-4fmuA:
30.97
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.
4i4i 6-PHOSPHOFRUCTOKINAS
E

(Geobacillus
stearothermophilus) 		PF00365
(PFK) 		5 GLY A 268
ILE A 137
TYR A 106
CYH A 119
GLY A 101
 None
 1.05A 6bp4B-4i4iA:
undetectable		 6bp4B-4i4iA:
19.88
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.
4ijj PUTATIVE C4-TYPE
ZINC FINGER PROTEIN,
DKSA/TRAR FAMILY

(Pseudomonas
aeruginosa) 		PF01258
(zf-dskA_traR) 		5 ILE A 118
TYR A  14
ARG A 107
LEU A 108
GLY A 104
 None
None
SO4  A 201 ( 4.8A)
None
None
 1.41A 6bp4B-4ijjA:
undetectable		 6bp4B-4ijjA:
18.24
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.
4qeo HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH4

(Arabidopsis
thaliana) 		PF00856
(SET)
PF02182
(SAD_SRA)
PF05033
(Pre-SET) 		9 LYS A 456
GLY A 457
TRP A 458
TYR A 493
HIS A 552
TYR A 593
CYH A 612
CYH A 614
LEU A 623
 SAH  A 801 (-4.7A)
SAH  A 801 (-3.6A)
SAH  A 801 (-4.9A)
SAH  A 801 (-4.0A)
None
None
ZN  A 805 ( 2.4A)
ZN  A 805 ( 2.4A)
None
 0.66A 6bp4B-4qeoA:
27.0		 6bp4B-4qeoA:
24.08
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.
4r9g MBP1

(Caldanaerobius
polysaccharolyticus) 		PF13416
(SBP_bac_8) 		5 GLY A 127
ILE A 129
TYR A 120
LEU A  91
GLY A 131
 None
 1.36A 6bp4B-4r9gA:
undetectable		 6bp4B-4r9gA:
20.70
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.
4z3n PUTATIVE DRUG/SODIUM
ANTIPORTER

(Escherichia
coli) 		PF01554
(MatE) 		5 GLY A  80
ILE A 126
TYR A 155
LEU A 137
GLY A 130
 OLC  A 507 ( 3.8A)
None
None
None
None
 1.31A 6bp4B-4z3nA:
undetectable		 6bp4B-4z3nA:
20.08
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.
4z4p HISTONE-LYSINE
N-METHYLTRANSFERASE
2D

(Homo sapiens) 		PF00856
(SET) 		5 GLY A5408
HIS A5475
CYH A5525
CYH A5527
GLY A5538
 SAH  A5602 (-3.6A)
None
ZN  A5601 ( 2.2A)
ZN  A5601 ( 2.2A)
SAH  A5602 ( 4.2A)
 0.95A 6bp4B-4z4pA:
13.7		 6bp4B-4z4pA:
22.95
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.
4z4p HISTONE-LYSINE
N-METHYLTRANSFERASE
2D

(Homo sapiens) 		PF00856
(SET) 		6 GLY A5408
TYR A5451
HIS A5475
TYR A5512
CYH A5525
CYH A5527
 SAH  A5602 (-3.6A)
SAH  A5602 (-4.5A)
None
None
ZN  A5601 ( 2.2A)
ZN  A5601 ( 2.2A)
 0.47A 6bp4B-4z4pA:
13.7		 6bp4B-4z4pA:
22.95
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.
4z4p HISTONE-LYSINE
N-METHYLTRANSFERASE
2D

(Homo sapiens) 		PF00856
(SET) 		5 GLY A5410
TYR A5451
HIS A5475
TYR A5512
CYH A5527
 None
SAH  A5602 (-4.5A)
None
None
ZN  A5601 ( 2.2A)
 0.89A 6bp4B-4z4pA:
13.7		 6bp4B-4z4pA:
22.95
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.
5d3i STAPHYLOCOCCAL
SUPERANTIGEN-LIKE
PROTEIN 3

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		5 GLY B 284
TYR B 138
HIS B 275
ARG B 268
LEU B 271
 None
 1.38A 6bp4B-5d3iB:
undetectable		 6bp4B-5d3iB:
22.64
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.
5dae AAEL006007-PA

(Aedes aegypti) 		PF00050
(Kazal_1) 		5 LYS A  20
GLY A  16
ILE A  32
LEU A  36
GLY A  37
 None
 1.37A 6bp4B-5daeA:
undetectable		 6bp4B-5daeA:
10.92
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.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		5 GLY A  58
TRP A  87
HIS A  53
ARG A  84
LEU A  45
 SAM  A 301 (-3.2A)
SAM  A 301 (-3.6A)
None
5KY  A 302 (-3.7A)
None
 1.39A 6bp4B-5e9qA:
undetectable		 6bp4B-5e9qA:
22.22
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.
5ey9 LONG-CHAIN-FATTY-ACI
D--AMP LIGASE FADD32

(Mycobacterium
marinum) 		PF00501
(AMP-binding) 		5 TRP A 420
ILE A 483
TYR A 469
ARG A 482
GLY A 481
 None
None
None
5SV  A 701 (-3.9A)
None
 1.47A 6bp4B-5ey9A:
undetectable		 6bp4B-5ey9A:
18.76
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.
5f59 HISTONE-LYSINE
N-METHYLTRANSFERASE
2C

(Homo sapiens) 		PF00856
(SET) 		6 GLY A4782
TYR A4825
HIS A4849
TYR A4886
CYH A4899
CYH A4901
 SAH  A5002 (-3.5A)
SAH  A5002 (-4.5A)
SAH  A5002 (-4.6A)
None
ZN  A5001 ( 2.0A)
ZN  A5001 (-2.3A)
 0.59A 6bp4B-5f59A:
13.3		 6bp4B-5f59A:
22.56
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.
5f59 HISTONE-LYSINE
N-METHYLTRANSFERASE
2C

(Homo sapiens) 		PF00856
(SET) 		5 GLY A4784
TYR A4825
HIS A4849
TYR A4886
CYH A4901
 None
SAH  A5002 (-4.5A)
SAH  A5002 (-4.6A)
None
ZN  A5001 (-2.3A)
 1.47A 6bp4B-5f59A:
13.3		 6bp4B-5f59A:
22.56
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.
5f6l HISTONE-LYSINE
N-METHYLTRANSFERASE
2A

(Homo sapiens) 		PF00856
(SET) 		6 GLY A3840
HIS A3907
TYR A3944
CYH A3957
CYH A3959
LEU A3968
 SAH  A4001 (-3.4A)
SAH  A4001 (-4.9A)
SAH  A4001 (-4.9A)
ZN  A4002 ( 2.3A)
ZN  A4002 (-2.3A)
None
 0.71A 6bp4B-5f6lA:
12.7		 6bp4B-5f6lA:
26.33
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.
5f6l HISTONE-LYSINE
N-METHYLTRANSFERASE
2A

(Homo sapiens) 		PF00856
(SET) 		5 GLY A3842
TYR A3883
HIS A3907
TYR A3944
CYH A3959
 None
None
SAH  A4001 (-4.9A)
SAH  A4001 (-4.9A)
ZN  A4002 (-2.3A)
 1.49A 6bp4B-5f6lA:
12.7		 6bp4B-5f6lA:
26.33
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.
5f6l HISTONE-LYSINE
N-METHYLTRANSFERASE
2A

(Homo sapiens) 		PF00856
(SET) 		6 TYR A3883
HIS A3907
TYR A3944
CYH A3957
CYH A3959
LEU A3968
 None
SAH  A4001 (-4.9A)
SAH  A4001 (-4.9A)
ZN  A4002 ( 2.3A)
ZN  A4002 (-2.3A)
None
 0.62A 6bp4B-5f6lA:
12.7		 6bp4B-5f6lA:
26.33
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.
5hl4 RING-HYDROXYLATING
DIOXYGENASE

(Sinorhizobium
meliloti) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 GLY A  90
TYR A 113
CYH A  94
LEU A 136
GLY A 135
 None
 1.15A 6bp4B-5hl4A:
undetectable		 6bp4B-5hl4A:
20.79
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.
5i4d SUPERANTIGEN-LIKE
PROTEIN

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		5 GLY A 314
TYR A 168
HIS A 305
ARG A 298
LEU A 301
 None
 1.41A 6bp4B-5i4dA:
undetectable		 6bp4B-5i4dA:
20.64
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.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		5 GLY A  58
TRP A  87
HIS A  53
ARG A  84
LEU A  45
 SAM  A 311 (-3.3A)
SAM  A 311 (-3.5A)
None
SO4  A 303 (-3.2A)
None
 1.44A 6bp4B-5ikmA:
undetectable		 6bp4B-5ikmA:
21.04
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.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  16
HIS A 207
TYR A 240
CYH A 262
CYH A 264
 None
None
6TM  A 502 ( 3.6A)
ZN  A 505 (-2.3A)
ZN  A 505 (-2.4A)
 1.04A 6bp4B-5kjmA:
5.6		 6bp4B-5kjmA:
19.91
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.
5lsu HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2

(Homo sapiens) 		PF00856
(SET) 		8 GLY A1074
TRP A1075
TYR A1118
HIS A1142
TYR A1179
CYH A1191
CYH A1193
LEU A1202
 SAM  A1304 ( 3.2A)
None
SAM  A1304 (-3.8A)
SAM  A1304 (-4.6A)
SAM  A1304 (-4.1A)
ZN  A1301 ( 2.3A)
ZN  A1301 (-2.3A)
SAM  A1304 ( 4.7A)
 0.61A 6bp4B-5lsuA:
20.2		 6bp4B-5lsuA:
29.04
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.
5lsu HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2

(Homo sapiens) 		PF00856
(SET) 		6 GLY A1074
TRP A1075
TYR A1118
HIS A1142
TYR A1179
CYH A1193
 SAM  A1304 ( 3.2A)
None
SAM  A1304 (-3.8A)
SAM  A1304 (-4.6A)
SAM  A1304 (-4.1A)
ZN  A1301 (-2.3A)
 1.35A 6bp4B-5lsuA:
20.2		 6bp4B-5lsuA:
29.04
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.
5lsu HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2

(Homo sapiens) 		PF00856
(SET) 		5 GLY A1076
TYR A1118
HIS A1142
TYR A1179
CYH A1193
 SAM  A1304 ( 4.6A)
SAM  A1304 (-3.8A)
SAM  A1304 (-4.6A)
SAM  A1304 (-4.1A)
ZN  A1301 (-2.3A)
 0.90A 6bp4B-5lsuA:
20.2		 6bp4B-5lsuA:
29.04
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.
5lsu HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2

(Homo sapiens) 		PF00856
(SET) 		5 GLY A1076
TYR A1118
HIS A1142
TYR A1179
CYH A1193
 SAM  A1304 ( 4.6A)
SAM  A1304 (-3.8A)
SAM  A1304 (-4.6A)
SAM  A1304 (-4.1A)
ZN  A1301 (-2.3A)
 1.44A 6bp4B-5lsuA:
20.2		 6bp4B-5lsuA:
29.04
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.
5n2g DNA POLYMERASE

(Vaccinia virus) 		no annotation 5 ILE A 695
TYR A 550
TYR A 554
ARG A 692
GLY A 691
 None
 1.43A 6bp4B-5n2gA:
undetectable		 6bp4B-5n2gA:
undetectable
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 GLY A 600
TRP A 363
HIS A 679
CYH A 674
GLY A 682
 None
 1.31A 6bp4B-5n4lA:
undetectable		 6bp4B-5n4lA:
undetectable
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 GLY A 600
TRP A 363
HIS A 679
CYH A 674
GLY A 683
 None
 1.43A 6bp4B-5n4lA:
undetectable		 6bp4B-5n4lA:
undetectable
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.
5oik TRANSCRIPTION
ELONGATION FACTOR
SPT4

(Homo sapiens) 		PF06093
(Spt4) 		5 TYR Y  85
CYH Y  33
CYH Y  36
LEU Y  21
GLY Y  83
 None
ZN  Y 201 (-2.3A)
ZN  Y 201 (-2.3A)
None
None
 1.30A 6bp4B-5oikY:
undetectable		 6bp4B-5oikY:
16.09
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.
5teg N-LYSINE
METHYLTRANSFERASE
KMT5A

(Homo sapiens) 		PF00856
(SET) 		5 LYS A 226
GLY A 227
TYR A 271
HIS A 299
TYR A 336
 SAM  A 401 (-4.6A)
SAM  A 401 ( 4.0A)
SAM  A 401 (-4.1A)
None
SAM  A 401 (-4.8A)
 0.47A 6bp4B-5tegA:
12.0		 6bp4B-5tegA:
20.72
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.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 GLY A  58
TRP A  87
HIS A  53
ARG A  84
LEU A  44
 SAH  A1001 (-3.2A)
SAH  A1001 (-3.5A)
None
None
None
 1.43A 6bp4B-5tmhA:
undetectable		 6bp4B-5tmhA:
16.98
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.
5tr3 DIHYDROLIPOYL
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 193
ILE A 274
CYH A  54
LEU A 175
GLY A 173
 None
None
FAD  A 501 (-3.2A)
None
None
 1.49A 6bp4B-5tr3A:
undetectable		 6bp4B-5tr3A:
22.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A1035
TYR A 996
CYH A1027
CYH A1017
GLY A1000
 None
None
ZN  A1501 (-1.9A)
ZN  A1501 ( 2.1A)
None
 1.18A 6bp4B-5tuyA:
27.5		 6bp4B-5tuyA:
35.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		7 GLY A1049
TRP A1050
TYR A1085
HIS A1113
TYR A1154
CYH A1168
CYH A1170
 SAM  A1505 ( 3.9A)
None
SAM  A1505 (-4.0A)
SAM  A1505 (-4.7A)
SAM  A1505 (-4.9A)
ZN  A1504 (-2.2A)
ZN  A1504 (-2.2A)
 0.41A 6bp4B-5tuyA:
27.5		 6bp4B-5tuyA:
35.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		6 GLY A1049
TRP A1050
TYR A1085
HIS A1113
TYR A1154
CYH A1170
 SAM  A1505 ( 3.9A)
None
SAM  A1505 (-4.0A)
SAM  A1505 (-4.7A)
SAM  A1505 (-4.9A)
ZN  A1504 (-2.2A)
 1.37A 6bp4B-5tuyA:
27.5		 6bp4B-5tuyA:
35.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A1051
TYR A1085
HIS A1113
TYR A1154
CYH A1170
 None
SAM  A1505 (-4.0A)
SAM  A1505 (-4.7A)
SAM  A1505 (-4.9A)
ZN  A1504 (-2.2A)
 1.45A 6bp4B-5tuyA:
27.5		 6bp4B-5tuyA:
35.65
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.
5uos METHYLMALONIC
ACIDURIA AND
HOMOCYSTINURIA TYPE
C PROTEIN

(Homo sapiens) 		PF16690
(MMACHC) 		5 GLY A 162
ILE A 101
HIS A  86
CYH A  82
GLY A  88
 None
171  A 304 (-4.4A)
None
None
171  A 304 ( 4.0A)
 0.85A 6bp4B-5uosA:
undetectable		 6bp4B-5uosA:
21.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		7 GLY A1137
TRP A1138
TYR A1173
HIS A1201
TYR A1242
CYH A1256
CYH A1258
 SAM  A3001 (-3.6A)
None
SAM  A3001 (-4.0A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
ZN  A3005 ( 2.4A)
ZN  A3005 (-2.3A)
 0.50A 6bp4B-5vsdA:
26.8		 6bp4B-5vsdA:
35.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		6 GLY A1137
TRP A1138
TYR A1173
HIS A1201
TYR A1242
CYH A1258
 SAM  A3001 (-3.6A)
None
SAM  A3001 (-4.0A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
ZN  A3005 (-2.3A)
 1.31A 6bp4B-5vsdA:
26.8		 6bp4B-5vsdA:
35.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A1139
TYR A1173
HIS A1201
TYR A1242
CYH A1258
 None
SAM  A3001 (-4.0A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
ZN  A3005 (-2.3A)
 0.97A 6bp4B-5vsdA:
26.8		 6bp4B-5vsdA:
35.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A1139
TYR A1173
HIS A1201
TYR A1242
CYH A1258
 None
SAM  A3001 (-4.0A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
ZN  A3005 (-2.3A)
 1.45A 6bp4B-5vsdA:
26.8		 6bp4B-5vsdA:
35.92
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.
5vvr DNA REPAIR AND
RECOMBINATION
PROTEIN RAD26

(Saccharomyces
cerevisiae) 		no annotation 5 GLY M 736
ILE M 708
ARG M 711
LEU M 714
GLY M 710
 None
 1.39A 6bp4B-5vvrM:
undetectable		 6bp4B-5vvrM:
13.92
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.
5wuj FLAGELLAR M-RING
PROTEIN
FLAGELLAR MOTOR
SWITCH PROTEIN FLIG

(Helicobacter
pylori;
Helicobacter
pylori) 		no annotation
no annotation 		5 GLY B  30
ILE B  27
TYR A 530
LEU B  68
GLY B  64
 None
GOL  B 201 (-4.5A)
None
None
None
 1.24A 6bp4B-5wujB:
undetectable		 6bp4B-5wujB:
undetectable
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.
5zcs TARGET OF RAPAMYCIN
COMPLEX SUBUNIT LST8

(Homo sapiens) 		no annotation 5 ILE C 304
CYH C 244
CYH C 238
LEU C 258
GLY C 302
 None
 1.45A 6bp4B-5zcsC:
undetectable		 6bp4B-5zcsC:
undetectable
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.
6cen HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD3

(Homo sapiens) 		no annotation 8 GLY A1156
TRP A1157
TYR A1200
HIS A1224
TYR A1261
CYH A1273
CYH A1275
LEU A1284
 SAM  A1301 (-3.6A)
None
SAM  A1301 (-3.9A)
None
SAM  A1301 (-4.9A)
ZN  A1304 ( 2.3A)
ZN  A1304 (-2.3A)
SAM  A1301 (-4.6A)
 0.37A 6bp4B-6cenA:
19.6		 6bp4B-6cenA:
27.42
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.
6cen HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD3

(Homo sapiens) 		no annotation 6 GLY A1156
TRP A1157
TYR A1200
HIS A1224
TYR A1261
CYH A1275
 SAM  A1301 (-3.6A)
None
SAM  A1301 (-3.9A)
None
SAM  A1301 (-4.9A)
ZN  A1304 (-2.3A)
 1.46A 6bp4B-6cenA:
19.6		 6bp4B-6cenA:
27.42
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.
6cen HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD3

(Homo sapiens) 		no annotation 6 GLY A1158
TYR A1200
HIS A1224
TYR A1261
CYH A1273
CYH A1275
 None
SAM  A1301 (-3.9A)
None
SAM  A1301 (-4.9A)
ZN  A1304 ( 2.3A)
ZN  A1304 (-2.3A)
 1.39A 6bp4B-6cenA:
19.6		 6bp4B-6cenA:
27.42
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.
6cen HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD3

(Homo sapiens) 		no annotation 5 GLY A1158
TYR A1200
HIS A1224
TYR A1261
CYH A1275
 None
SAM  A1301 (-3.9A)
None
SAM  A1301 (-4.9A)
ZN  A1304 (-2.3A)
 0.94A 6bp4B-6cenA:
19.6		 6bp4B-6cenA:
27.42