SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '539'


List of Similar Pattern of Amino Acids


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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
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.
1E3V_A_DXCA801_0
(STEROID
DELTA-ISOMERASE)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
5 / 12 TYR B 307
PHE B 281
VAL B 291
LEU B 227
ALA B 269
539  B 403 ( 3.9A)
539  B 403 (-3.5A)
None
None
539  B 403 ( 4.0A)
1.48A 1e3vA-5cprB:
undetectable
1e3vA-5cprB:
17.09
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.
1FO4_B_SALB4005_1
(XANTHINE
DEHYDROGENASE)
5t77 PUTATIVE LIPID II
FLIPPASE MURJ

(Thermosipho
africanus)
4 / 7 PHE A 364
THR A 224
VAL A 227
ALA A 367
OLC  A 529 (-3.1A)
OLC  A 539 ( 2.5A)
OLC  A 530 ( 4.5A)
OLC  A 530 (-2.9A)
1.09A 1fo4B-5t77A:
undetectable
1fo4B-5t77A:
16.39
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.
1NSI_B_H4BB601_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))
3c2u XYLOSIDASE/ARABINOSI
DASE

(Selenomonas
ruminantium)
4 / 6 GLU A  32
ARG A 290
ILE A  72
TRP A  73
None
B3P  A 539 (-2.7A)
None
B3P  A 539 (-4.6A)
1.48A 1nsiA-3c2uA:
undetectable
1nsiB-3c2uA:
undetectable
1nsiA-3c2uA:
22.59
1nsiB-3c2uA:
22.59
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.
1ONI_I_BEZI518_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
5gpr CHITINASE
(Ostrinia
furnacalis)
4 / 7 ILE A 541
GLY A 539
ASN A 176
ASN A 142
ILE  A 541 ( 0.7A)
GLY  A 539 ( 0.0A)
ASN  A 176 ( 0.6A)
ASN  A 142 ( 0.6A)
1.01A 1oniG-5gprA:
undetectable
1oniI-5gprA:
0.8
1oniG-5gprA:
14.23
1oniI-5gprA:
14.23
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.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)
3fnr ARGINYL-TRNA
SYNTHETASE

(Campylobacter
jejuni)
4 / 8 TYR A 149
ARG A 307
GLU A 109
ASP A 297
None
None
None
GOL  A 539 (-3.4A)
1.18A 1s3zA-3fnrA:
undetectable
1s3zB-3fnrA:
undetectable
1s3zA-3fnrA:
14.81
1s3zB-3fnrA:
14.81
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.
2H21_A_SAMA801_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
5 / 10 SER B 251
ASN B 272
HIS B 273
TYR B 307
PHE B 312
SAM  B 402 (-3.9A)
SAM  B 402 (-3.1A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
1.33A 2h21A-5cprB:
6.4
2h21A-5cprB:
21.35
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.
2H21_B_SAMB802_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
5 / 11 SER B 251
ASN B 272
HIS B 273
TYR B 307
PHE B 312
SAM  B 402 (-3.9A)
SAM  B 402 (-3.1A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
1.33A 2h21B-5cprB:
5.7
2h21B-5cprB:
21.35
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.
2H21_C_SAMC803_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
5 / 11 SER B 251
ASN B 272
HIS B 273
TYR B 307
PHE B 312
SAM  B 402 (-3.9A)
SAM  B 402 (-3.1A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
1.32A 2h21C-5cprB:
5.9
2h21C-5cprB:
21.35
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.
2IEO_A_017A402_2
(PROTEASE)
3igo CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Cryptosporidium
parvum)
5 / 12 LEU A  91
ASP A  95
VAL A 151
VAL A 106
VAL A 104
None
GOL  A 539 (-3.7A)
None
None
None
0.89A 2ieoB-3igoA:
undetectable
2ieoB-3igoA:
9.75
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.
3HBB_B_TMQB612_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
5 / 9 ALA B 268
ILE B 184
THR B  85
PHE B 144
ILE B 197
539  B 403 (-3.6A)
None
None
None
None
1.43A 3hbbB-5cprB:
undetectable
3hbbB-5cprB:
20.61
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.
3MB5_A_SAMA301_1
(SAM-DEPENDENT
METHYLTRANSFERASE)
5gpr CHITINASE
(Ostrinia
furnacalis)
4 / 4 GLY A 539
GLU A 140
ASP A 535
ASP A 540
GLY  A 539 ( 0.0A)
GLU  A 140 ( 0.6A)
ASP  A 535 ( 0.6A)
ASP  A 540 ( 0.5A)
1.26A 3mb5A-5gprA:
undetectable
3mb5A-5gprA:
19.86
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_A_SAMA237_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
5 / 12 ASN B 272
HIS B 273
TYR B 307
CYH B 319
CYH B 321
SAM  B 402 (-3.1A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
ZN  B 401 ( 2.3A)
ZN  B 401 ( 2.2A)
0.39A 3ooiA-5cprB:
7.7
3ooiA-5cprB:
24.91
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.
3R24_A_SAMA302_0
(2'-O-METHYL
TRANSFERASE)
4aie GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Lactobacillus
acidophilus)
5 / 12 GLY A 325
SER A 497
PRO A 529
LEU A 285
ASP A 272
None
None
MES  A1539 (-4.1A)
None
None
1.36A 3r24A-4aieA:
undetectable
3r24A-4aieA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RQ4_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
5 / 12 GLY B 246
SER B 251
HIS B 273
TYR B 307
CYH B 319
None
SAM  B 402 (-3.9A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
ZN  B 401 ( 2.3A)
1.43A 3rq4A-5cprB:
33.6
3rq4A-5cprB:
58.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RQ4_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
11 / 12 TYR B 203
GLU B 206
GLY B 209
SER B 251
ASN B 272
HIS B 273
TYR B 307
PHE B 312
CYH B 319
GLU B 320
CYH B 321
SAM  B 402 (-3.7A)
SAM  B 402 (-2.9A)
SAM  B 402 (-3.4A)
SAM  B 402 (-3.9A)
SAM  B 402 (-3.1A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
ZN  B 401 ( 2.3A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.2A)
0.19A 3rq4A-5cprB:
33.6
3rq4A-5cprB:
58.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RQ4_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
8 / 12 TYR B 203
GLU B 206
GLY B 209
SER B 251
HIS B 273
TYR B 307
CYH B 321
GLU B 320
SAM  B 402 (-3.7A)
SAM  B 402 (-2.9A)
SAM  B 402 (-3.4A)
SAM  B 402 (-3.9A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
ZN  B 401 ( 2.2A)
SAM  B 402 (-4.6A)
1.42A 3rq4A-5cprB:
33.6
3rq4A-5cprB:
58.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S8P_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
11 / 12 TYR B 203
GLY B 209
ALA B 210
PHE B 250
ASN B 272
HIS B 273
TYR B 307
PHE B 312
CYH B 319
GLU B 320
CYH B 321
SAM  B 402 (-3.7A)
SAM  B 402 (-3.4A)
SAM  B 402 (-3.9A)
None
SAM  B 402 (-3.1A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
ZN  B 401 ( 2.3A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.2A)
0.25A 3s8pA-5cprB:
38.0
3s8pA-5cprB:
97.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S8P_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
11 / 12 TYR B 203
GLY B 209
ALA B 210
SER B 251
ASN B 272
HIS B 273
TYR B 307
PHE B 312
CYH B 319
GLU B 320
CYH B 321
SAM  B 402 (-3.7A)
SAM  B 402 (-3.4A)
SAM  B 402 (-3.9A)
SAM  B 402 (-3.9A)
SAM  B 402 (-3.1A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
ZN  B 401 ( 2.3A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.2A)
0.46A 3s8pA-5cprB:
38.0
3s8pA-5cprB:
97.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S8P_B_SAMB500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
11 / 12 TYR B 203
GLU B 206
GLY B 209
ALA B 210
PHE B 250
HIS B 273
TYR B 307
PHE B 312
CYH B 319
GLU B 320
CYH B 321
SAM  B 402 (-3.7A)
SAM  B 402 (-2.9A)
SAM  B 402 (-3.4A)
SAM  B 402 (-3.9A)
None
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
ZN  B 401 ( 2.3A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.2A)
0.26A 3s8pB-5cprB:
35.7
3s8pB-5cprB:
97.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S8P_B_SAMB500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
11 / 12 TYR B 203
GLU B 206
GLY B 209
ALA B 210
SER B 251
HIS B 273
TYR B 307
PHE B 312
CYH B 319
GLU B 320
CYH B 321
SAM  B 402 (-3.7A)
SAM  B 402 (-2.9A)
SAM  B 402 (-3.4A)
SAM  B 402 (-3.9A)
SAM  B 402 (-3.9A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
ZN  B 401 ( 2.3A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.2A)
0.46A 3s8pB-5cprB:
35.7
3s8pB-5cprB:
97.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S8P_B_SAMB500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
8 / 12 TYR B 203
GLU B 206
GLY B 209
PHE B 250
HIS B 273
TYR B 307
GLU B 320
CYH B 319
SAM  B 402 (-3.7A)
SAM  B 402 (-2.9A)
SAM  B 402 (-3.4A)
None
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.3A)
1.41A 3s8pB-5cprB:
35.7
3s8pB-5cprB:
97.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BUP_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
12 / 12 TYR B 203
GLU B 206
GLY B 209
ALA B 210
SER B 251
ASN B 272
HIS B 273
TYR B 307
PHE B 312
CYH B 319
GLU B 320
CYH B 321
SAM  B 402 (-3.7A)
SAM  B 402 (-2.9A)
SAM  B 402 (-3.4A)
SAM  B 402 (-3.9A)
SAM  B 402 (-3.9A)
SAM  B 402 (-3.1A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
ZN  B 401 ( 2.3A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.2A)
0.49A 4bupA-5cprB:
36.0
4bupA-5cprB:
98.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BUP_B_SAMB500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
7 / 12 TYR B 203
GLY B 209
PHE B 250
HIS B 273
TYR B 307
GLU B 320
CYH B 319
SAM  B 402 (-3.7A)
SAM  B 402 (-3.4A)
None
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.3A)
1.48A 4bupB-5cprB:
37.4
4bupB-5cprB:
98.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BUP_B_SAMB500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
11 / 12 TYR B 203
SER B 205
GLY B 209
ALA B 210
PHE B 250
HIS B 273
TYR B 307
PHE B 312
CYH B 319
GLU B 320
CYH B 321
SAM  B 402 (-3.7A)
SAM  B 402 (-2.7A)
SAM  B 402 (-3.4A)
SAM  B 402 (-3.9A)
None
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
ZN  B 401 ( 2.3A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.2A)
0.31A 4bupB-5cprB:
37.4
4bupB-5cprB:
98.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BUP_B_SAMB500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
11 / 12 TYR B 203
SER B 205
GLY B 209
ALA B 210
SER B 251
HIS B 273
TYR B 307
PHE B 312
CYH B 319
GLU B 320
CYH B 321
SAM  B 402 (-3.7A)
SAM  B 402 (-2.7A)
SAM  B 402 (-3.4A)
SAM  B 402 (-3.9A)
SAM  B 402 (-3.9A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
ZN  B 401 ( 2.3A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.2A)
0.51A 4bupB-5cprB:
37.4
4bupB-5cprB:
98.15
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.
4CX7_D_H4BD600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)
3c2u XYLOSIDASE/ARABINOSI
DASE

(Selenomonas
ruminantium)
4 / 7 GLU A  32
ARG A 290
ILE A  72
TRP A  73
None
B3P  A 539 (-2.7A)
None
B3P  A 539 (-4.6A)
1.48A 4cx7C-3c2uA:
undetectable
4cx7D-3c2uA:
undetectable
4cx7C-3c2uA:
22.59
4cx7D-3c2uA:
22.59
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.
4NOS_B_H4BB1011_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)
3c2u XYLOSIDASE/ARABINOSI
DASE

(Selenomonas
ruminantium)
4 / 7 GLU A  32
ARG A 290
ILE A  72
TRP A  73
None
B3P  A 539 (-2.7A)
None
B3P  A 539 (-4.6A)
1.48A 4nosA-3c2uA:
undetectable
4nosB-3c2uA:
undetectable
4nosA-3c2uA:
20.97
4nosB-3c2uA:
20.97
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.
4NOS_C_H4BC2011_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)
3c2u XYLOSIDASE/ARABINOSI
DASE

(Selenomonas
ruminantium)
4 / 7 ARG A 290
ILE A  72
TRP A  73
GLU A  32
B3P  A 539 (-2.7A)
None
B3P  A 539 (-4.6A)
None
1.46A 4nosC-3c2uA:
undetectable
4nosD-3c2uA:
undetectable
4nosC-3c2uA:
20.97
4nosD-3c2uA:
20.97
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.
4UXQ_A_0LIA1752_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)
4bqh UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Trypanosoma
brucei)
4 / 7 VAL A  45
ILE A 219
ARG A 380
ILE A 220
9VU  A1539 (-3.9A)
None
None
None
0.66A 4uxqA-4bqhA:
undetectable
4uxqA-4bqhA:
20.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CPR_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
12 / 12 TYR B 203
GLU B 206
GLY B 209
ALA B 210
PHE B 250
SER B 251
HIS B 273
TYR B 307
PHE B 312
CYH B 319
GLU B 320
CYH B 321
SAM  B 402 (-3.7A)
SAM  B 402 (-2.9A)
SAM  B 402 (-3.4A)
SAM  B 402 (-3.9A)
None
SAM  B 402 (-3.9A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
ZN  B 401 ( 2.3A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.2A)
0.01A 5cprB-5cprB:
41.8
5cprB-5cprB:
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.
5DPD_A_SAMA601_0
(PROTEIN LYSINE
METHYLTRANSFERASE 1)
4bqh UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Trypanosoma
brucei)
5 / 12 GLU A 396
GLY A 232
SER A 177
VAL A 209
VAL A  45
None
9VU  A1539 (-3.2A)
None
9VU  A1539 (-4.9A)
9VU  A1539 (-3.9A)
1.14A 5dpdA-4bqhA:
2.2
5dpdA-4bqhA:
22.58
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.
5HFJ_C_SAMC301_1
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))
3c2u XYLOSIDASE/ARABINOSI
DASE

(Selenomonas
ruminantium)
4 / 4 ASP A  14
HIS A 189
SER A 250
GLU A 212
B3P  A 539 (-2.7A)
None
None
None
1.23A 5hfjC-3c2uA:
0.0
5hfjC-3c2uA:
17.47
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.
5LSU_B_SAMB1304_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
3 / 3 ASN B 272
TYR B 307
CYH B 319
SAM  B 402 (-3.1A)
539  B 403 ( 3.9A)
ZN  B 401 ( 2.3A)
0.43A 5lsuB-5cprB:
7.3
5lsuB-5cprB:
24.48
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.
5UPD_A_SAMA1301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD3)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
5 / 11 ASN B 272
HIS B 273
TYR B 307
CYH B 319
CYH B 321
SAM  B 402 (-3.1A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
ZN  B 401 ( 2.3A)
ZN  B 401 ( 2.2A)
0.53A 5updA-5cprB:
7.4
5updA-5cprB:
24.47
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.
5VCV_A_1N1A404_2
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)
3rx8 CELLULASE
(Alicyclobacillus
acidocaldarius)
4 / 5 VAL A 518
LEU A 103
CYH A 104
ASP A 146
None
None
ZN  A 539 (-2.3A)
9MR  A 601 ( 2.9A)
1.23A 5vcvA-3rx8A:
undetectable
5vcvA-3rx8A:
22.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5WBV_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
11 / 12 TYR B 203
SER B 205
GLY B 209
ALA B 210
PHE B 250
HIS B 273
TYR B 307
PHE B 312
CYH B 319
GLU B 320
CYH B 321
SAM  B 402 (-3.7A)
SAM  B 402 (-2.7A)
SAM  B 402 (-3.4A)
SAM  B 402 (-3.9A)
None
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
ZN  B 401 ( 2.3A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.2A)
0.49A 5wbvA-5cprB:
37.6
5wbvA-5cprB:
97.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5WBV_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
11 / 12 TYR B 203
SER B 205
GLY B 209
ALA B 210
SER B 251
HIS B 273
TYR B 307
PHE B 312
CYH B 319
GLU B 320
CYH B 321
SAM  B 402 (-3.7A)
SAM  B 402 (-2.7A)
SAM  B 402 (-3.4A)
SAM  B 402 (-3.9A)
SAM  B 402 (-3.9A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
ZN  B 401 ( 2.3A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.2A)
0.60A 5wbvA-5cprB:
37.6
5wbvA-5cprB:
97.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5WBV_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
11 / 12 TYR B 203
SER B 205
GLY B 209
ALA B 210
PHE B 250
HIS B 273
TYR B 307
PHE B 312
CYH B 319
GLU B 320
CYH B 321
SAM  B 402 (-3.7A)
SAM  B 402 (-2.7A)
SAM  B 402 (-3.4A)
SAM  B 402 (-3.9A)
None
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
ZN  B 401 ( 2.3A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.2A)
0.48A 5wbvB-5cprB:
35.5
5wbvB-5cprB:
97.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5WBV_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
11 / 12 TYR B 203
SER B 205
GLY B 209
ALA B 210
SER B 251
HIS B 273
TYR B 307
PHE B 312
CYH B 319
GLU B 320
CYH B 321
SAM  B 402 (-3.7A)
SAM  B 402 (-2.7A)
SAM  B 402 (-3.4A)
SAM  B 402 (-3.9A)
SAM  B 402 (-3.9A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
ZN  B 401 ( 2.3A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.2A)
0.59A 5wbvB-5cprB:
35.5
5wbvB-5cprB:
97.80
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.
6A5K_A_SAMA805_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH6)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
5 / 12 ASN B 272
HIS B 273
TYR B 307
CYH B 319
CYH B 321
SAM  B 402 (-3.1A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
ZN  B 401 ( 2.3A)
ZN  B 401 ( 2.2A)
0.42A 6a5kA-5cprB:
8.3
6a5kA-5cprB:
21.76
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.
6A5M_A_SAMA805_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH6)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
5 / 12 ASN B 272
HIS B 273
TYR B 307
CYH B 319
CYH B 321
SAM  B 402 (-3.1A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
ZN  B 401 ( 2.3A)
ZN  B 401 ( 2.2A)
0.38A 6a5mA-5cprB:
undetectable
6a5mA-5cprB:
21.76
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.
6AGO_A_SAMA2301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
5 / 11 ASN B 272
HIS B 273
TYR B 307
CYH B 319
CYH B 321
SAM  B 402 (-3.1A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
ZN  B 401 ( 2.3A)
ZN  B 401 ( 2.2A)
0.87A 6agoA-5cprB:
7.8
6agoA-5cprB:
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.
6CEN_A_SAMA1301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD3)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
5 / 11 ASN B 272
HIS B 273
TYR B 307
CYH B 319
CYH B 321
SAM  B 402 (-3.1A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
ZN  B 401 ( 2.3A)
ZN  B 401 ( 2.2A)
0.53A 6cenA-5cprB:
7.4
6cenA-5cprB:
23.76
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.
6GNG_B_QPSB601_3
(-)
3fnr ARGINYL-TRNA
SYNTHETASE

(Campylobacter
jejuni)
3 / 3 ASP A 278
ASP A 297
ASN A 114
None
GOL  A 539 (-3.4A)
None
0.75A 6gngB-3fnrA:
3.0
6gngB-3fnrA:
21.60
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.
6INE_A_SAMA2304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo
sapiens)
5 / 12 ASN B 272
HIS B 273
TYR B 307
CYH B 319
CYH B 321
SAM  B 402 (-3.1A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
ZN  B 401 ( 2.3A)
ZN  B 401 ( 2.2A)
0.49A 6ineA-5cprB:
7.5
6ineA-5cprB:
25.33