SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4ckb'

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.
1A27_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 GLY A 283
LEU A 282
TYR A 278
VAL A 468
MET A 221
None
1.49A 1a27A-4ckbA:
7.6
1a27A-4ckbA:
15.17
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.
1A4G_A_ZMRA466_1
(NEURAMINIDASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 ARG A 655
ASP A 598
GLU A 652
ALA A 625
ARG A 548
SAH  A1845 (-3.3A)
SAH  A1845 (-3.5A)
None
SAH  A1845 ( 4.7A)
SAH  A1845 (-3.4A)
1.40A 1a4gA-4ckbA:
undetectable
1a4gA-4ckbA:
19.01
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.
1DFO_A_FFOA1002_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
4 / 5 TYR A 457
TYR A 164
PHE A 407
PRO A 414
None
1.23A 1dfoB-4ckbA:
undetectable
1dfoB-4ckbA:
19.32
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.
1DFO_B_FFOB2002_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
4 / 5 TYR A 457
TYR A 164
PHE A 407
PRO A 414
None
1.24A 1dfoA-4ckbA:
undetectable
1dfoA-4ckbA:
19.32
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.
1DFO_C_FFOC3002_2
(SERINE
HYDROXYMETHYLTRANSFE
RASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
4 / 5 TYR A 457
TYR A 164
PHE A 407
PRO A 414
None
1.23A 1dfoD-4ckbA:
undetectable
1dfoD-4ckbA:
19.32
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.
1DFO_D_FFOD4002_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
4 / 5 TYR A 457
TYR A 164
PHE A 407
PRO A 414
None
1.23A 1dfoC-4ckbA:
2.0
1dfoC-4ckbA:
19.32
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
4 / 8 VAL A 203
ALA A  19
PHE A 156
GLU A 207
None
1.07A 1dmiA-4ckbA:
undetectable
1dmiB-4ckbA:
undetectable
1dmiA-4ckbA:
19.91
1dmiB-4ckbA:
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.
1FM4_A_DXCA1002_0
(MAJOR POLLEN
ALLERGEN BET V 1-L)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 ILE A 219
TYR A 284
VAL A 227
ILE A 286
TYR A 288
None
1.24A 1fm4A-4ckbA:
undetectable
1fm4A-4ckbA:
10.97
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.
1FM6_D_BRLD503_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
4 / 4 ILE A 341
LEU A 314
VAL A 300
ILE A 268
None
0.83A 1fm6D-4ckbA:
undetectable
1fm6D-4ckbA:
15.19
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.
1HXB_A_ROCA100_2
(HIV-1 PROTEASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
3 / 3 ARG A 548
THR A 759
VAL A 553
SAH  A1845 (-3.4A)
None
None
0.95A 1hxbA-4ckbA:
undetectable
1hxbA-4ckbA:
8.60
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.
1HZE_A_RBFA98_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 9 LEU A 115
LEU A 121
ILE A 193
THR A  10
ILE A  11
None
1.36A 1hzeA-4ckbA:
undetectable
1hzeB-4ckbA:
undetectable
1hzeA-4ckbA:
8.32
1hzeB-4ckbA:
8.32
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.
1HZE_B_RBFB99_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 9 THR A  10
ILE A  11
LEU A 115
LEU A 121
ILE A 193
None
1.35A 1hzeA-4ckbA:
undetectable
1hzeB-4ckbA:
undetectable
1hzeA-4ckbA:
8.32
1hzeB-4ckbA:
8.32
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.
1I18_B_RBFB99_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 10 THR A  10
ILE A  11
LEU A 115
LEU A 121
ILE A 193
None
1.39A 1i18A-4ckbA:
undetectable
1i18B-4ckbA:
undetectable
1i18A-4ckbA:
8.32
1i18B-4ckbA:
8.32
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.
1N2X_A_SAMA401_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 THR A 280
GLU A 467
VAL A 468
TYR A 278
ARG A 493
None
1.20A 1n2xA-4ckbA:
14.8
1n2xA-4ckbA:
15.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
4 / 7 THR A  13
TYR A  14
ASN A 113
LEU A  40
None
0.75A 1qzrA-4ckbA:
undetectable
1qzrA-4ckbA:
20.99
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.
1QZR_B_CDXB901_2
(DNA TOPOISOMERASE II)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
4 / 7 THR A  13
TYR A  14
ASN A 113
LEU A  40
None
0.61A 1qzrB-4ckbA:
undetectable
1qzrB-4ckbA:
20.99
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.
1RI4_A_SAMA299_0
(MRNA CAPPING ENZYME)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 LYS A 573
GLY A 600
GLN A 678
PHE A 679
TYR A 683
SAH  A1845 (-2.8A)
SAH  A1845 (-3.4A)
None
None
SAH  A1845 (-3.5A)
0.38A 1ri4A-4ckbA:
27.5
1ri4A-4ckbA:
16.86
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.
2CML_A_ZMRA1477_1
(NEURAMINIDASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 ARG A 655
ASP A 598
GLU A 652
ALA A 625
ARG A 548
SAH  A1845 (-3.3A)
SAH  A1845 (-3.5A)
None
SAH  A1845 ( 4.7A)
SAH  A1845 (-3.4A)
1.47A 2cmlA-4ckbA:
undetectable
2cmlA-4ckbA:
19.32
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.
2CML_B_ZMRB2477_1
(NEURAMINIDASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 ARG A 655
ASP A 598
GLU A 652
ALA A 625
ARG A 548
SAH  A1845 (-3.3A)
SAH  A1845 (-3.5A)
None
SAH  A1845 ( 4.7A)
SAH  A1845 (-3.4A)
1.46A 2cmlB-4ckbA:
undetectable
2cmlB-4ckbA:
19.32
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.
2CML_C_ZMRC3477_1
(NEURAMINIDASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 ARG A 655
ASP A 598
GLU A 652
ALA A 625
ARG A 548
SAH  A1845 (-3.3A)
SAH  A1845 (-3.5A)
None
SAH  A1845 ( 4.7A)
SAH  A1845 (-3.4A)
1.48A 2cmlC-4ckbA:
undetectable
2cmlC-4ckbA:
19.32
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.
2CML_D_ZMRD4477_1
(NEURAMINIDASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 ARG A 655
ASP A 598
GLU A 652
ALA A 625
ARG A 548
SAH  A1845 (-3.3A)
SAH  A1845 (-3.5A)
None
SAH  A1845 ( 4.7A)
SAH  A1845 (-3.4A)
1.48A 2cmlD-4ckbA:
undetectable
2cmlD-4ckbA:
19.32
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.
2GLU_B_SAMB302_0
(YCGJ)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 GLY A 600
GLY A 602
ALA A 618
THR A 619
ALA A 625
SAH  A1845 (-3.4A)
None
None
None
SAH  A1845 ( 4.7A)
1.03A 2gluB-4ckbA:
15.6
2gluB-4ckbA:
12.95
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.
2HTU_A_BCZA801_1
(NEURAMINIDASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
4 / 4 ARG A 655
ASP A 598
GLU A 652
ARG A 548
SAH  A1845 (-3.3A)
SAH  A1845 (-3.5A)
None
SAH  A1845 (-3.4A)
1.42A 2htuA-4ckbA:
undetectable
2htuA-4ckbA:
17.08
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.
2HYY_B_STIB600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
4 / 6 LEU A  88
VAL A 445
VAL A 405
ILE A 415
None
1.09A 2hyyB-4ckbA:
undetectable
2hyyB-4ckbA:
15.81
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.
2J0D_A_ERYA1498_0
(CYTOCHROME P450 3A4)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 PHE A  42
SER A 216
ILE A  11
ILE A  15
ALA A 151
None
1.12A 2j0dA-4ckbA:
undetectable
2j0dA-4ckbA:
21.13
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.
2V0M_B_KLNB1499_1
(CYTOCHROME P450 3A4)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
4 / 7 PHE A 240
PHE A 685
ILE A 681
ILE A 597
None
0.95A 2v0mB-4ckbA:
undetectable
2v0mB-4ckbA:
21.13
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.
2VMY_A_FFOA505_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
4 / 6 TYR A 457
TYR A 164
PHE A 407
PRO A 414
None
1.25A 2vmyA-4ckbA:
undetectable
2vmyA-4ckbA:
19.76
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
3 / 3 THR A  13
SER A   9
PHE A 220
None
0.60A 3d4sA-4ckbA:
undetectable
3d4sA-4ckbA:
20.35
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.
3K37_B_BCZB468_0
(NEURAMINIDASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 ARG A 655
ASP A 598
GLU A 652
ALA A 625
ARG A 548
SAH  A1845 (-3.3A)
SAH  A1845 (-3.5A)
None
SAH  A1845 ( 4.7A)
SAH  A1845 (-3.4A)
1.43A 3k37B-4ckbA:
undetectable
3k37B-4ckbA:
17.94
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.
3K5V_A_STIA2_2
(TYROSINE-PROTEIN
KINASE ABL1)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
4 / 6 LEU A  88
VAL A 445
VAL A 405
ILE A 415
None
1.15A 3k5vA-4ckbA:
undetectable
3k5vA-4ckbA:
16.47
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.
3K5V_B_STIB2_2
(TYROSINE-PROTEIN
KINASE ABL1)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
4 / 6 LEU A  88
VAL A 445
VAL A 405
ILE A 415
None
1.15A 3k5vB-4ckbA:
undetectable
3k5vB-4ckbA:
16.47
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.
3LXI_B_CAMB423_0
(CYTOCHROME P450)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 11 LEU A 250
GLY A 249
THR A 359
VAL A 363
VAL A 362
None
1.18A 3lxiB-4ckbA:
undetectable
3lxiB-4ckbA:
18.96
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.
3Q5R_A_KANA2002_1
(MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 11 PRO A 476
VAL A 474
ASN A  55
ILE A 477
ILE A 149
None
1.48A 3q5rA-4ckbA:
undetectable
3q5rA-4ckbA:
16.11
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.
3TIC_A_ZMRA1002_1
(NEURAMINIDASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 ARG A 655
ASP A 598
GLU A 652
ALA A 625
ARG A 548
SAH  A1845 (-3.3A)
SAH  A1845 (-3.5A)
None
SAH  A1845 ( 4.7A)
SAH  A1845 (-3.4A)
1.44A 3ticA-4ckbA:
undetectable
3ticA-4ckbA:
20.33
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.
3TIC_B_ZMRB1002_1
(NEURAMINIDASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 ARG A 655
ASP A 598
GLU A 652
ALA A 625
ARG A 548
SAH  A1845 (-3.3A)
SAH  A1845 (-3.5A)
None
SAH  A1845 ( 4.7A)
SAH  A1845 (-3.4A)
1.45A 3ticB-4ckbA:
undetectable
3ticB-4ckbA:
20.33
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.
3TIC_C_ZMRC1002_1
(NEURAMINIDASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 ARG A 655
ASP A 598
GLU A 652
ALA A 625
ARG A 548
SAH  A1845 (-3.3A)
SAH  A1845 (-3.5A)
None
SAH  A1845 ( 4.7A)
SAH  A1845 (-3.4A)
1.45A 3ticC-4ckbA:
undetectable
3ticC-4ckbA:
20.33
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.
3TIC_D_ZMRD1002_1
(NEURAMINIDASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 ARG A 655
ASP A 598
GLU A 652
ALA A 625
ARG A 548
SAH  A1845 (-3.3A)
SAH  A1845 (-3.5A)
None
SAH  A1845 ( 4.7A)
SAH  A1845 (-3.4A)
1.45A 3ticD-4ckbA:
undetectable
3ticD-4ckbA:
20.33
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.
3TJ7_C_ACTC608_0
(GBAA_1210 PROTEIN)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
4 / 5 GLU A  39
ARG A  77
LYS A 161
GLU A 194
None
1.36A 3tj7C-4ckbA:
7.7
3tj7C-4ckbA:
12.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPN_A_ZMRA700_1
(NEURAMINIDASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 ARG A 655
ASP A 598
GLU A 652
ALA A 625
ARG A 548
SAH  A1845 (-3.3A)
SAH  A1845 (-3.5A)
None
SAH  A1845 ( 4.7A)
SAH  A1845 (-3.4A)
1.35A 4cpnA-4ckbA:
undetectable
4cpnA-4ckbA:
20.40
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.
4CPN_B_ZMRB700_1
(NEURAMINIDASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 ARG A 655
ASP A 598
GLU A 652
ALA A 625
ARG A 548
SAH  A1845 (-3.3A)
SAH  A1845 (-3.5A)
None
SAH  A1845 ( 4.7A)
SAH  A1845 (-3.4A)
1.43A 4cpnB-4ckbA:
undetectable
4cpnB-4ckbA:
20.40
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.
4CPZ_C_ZMRC1470_1
(NEURAMINIDASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 ARG A 655
ASP A 598
GLU A 652
ALA A 625
ARG A 548
SAH  A1845 (-3.3A)
SAH  A1845 (-3.5A)
None
SAH  A1845 ( 4.7A)
SAH  A1845 (-3.4A)
1.38A 4cpzC-4ckbA:
undetectable
4cpzC-4ckbA:
20.19
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.
4CPZ_E_ZMRE1471_1
(NEURAMINIDASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 ARG A 655
ASP A 598
GLU A 652
ALA A 625
ARG A 548
SAH  A1845 (-3.3A)
SAH  A1845 (-3.5A)
None
SAH  A1845 ( 4.7A)
SAH  A1845 (-3.4A)
1.41A 4cpzE-4ckbA:
undetectable
4cpzE-4ckbA:
20.19
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.
4CPZ_F_ZMRF1470_1
(NEURAMINIDASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 ARG A 655
ASP A 598
GLU A 652
ALA A 625
ARG A 548
SAH  A1845 (-3.3A)
SAH  A1845 (-3.5A)
None
SAH  A1845 ( 4.7A)
SAH  A1845 (-3.4A)
1.42A 4cpzF-4ckbA:
undetectable
4cpzF-4ckbA:
20.19
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.
4CPZ_G_ZMRG1471_1
(NEURAMINIDASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 ARG A 655
ASP A 598
GLU A 652
ALA A 625
ARG A 548
SAH  A1845 (-3.3A)
SAH  A1845 (-3.5A)
None
SAH  A1845 ( 4.7A)
SAH  A1845 (-3.4A)
1.40A 4cpzG-4ckbA:
undetectable
4cpzG-4ckbA:
20.19
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.
4CPZ_H_ZMRH1470_1
(NEURAMINIDASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 ARG A 655
ASP A 598
GLU A 652
ALA A 625
ARG A 548
SAH  A1845 (-3.3A)
SAH  A1845 (-3.5A)
None
SAH  A1845 ( 4.7A)
SAH  A1845 (-3.4A)
1.41A 4cpzH-4ckbA:
undetectable
4cpzH-4ckbA:
20.19
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.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
3 / 3 ASP A 545
ARG A 748
THR A 653
None
0.86A 4i13A-4ckbA:
2.8
4i13A-4ckbA:
9.95
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.
4JQ4_B_IMNB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 10 TYR A 452
VAL A  54
ILE A 149
LEU A 145
LEU A 162
None
1.49A 4jq4B-4ckbA:
undetectable
4jq4B-4ckbA:
16.80
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.
4M6T_A_SAMA201_0
(RNA POLYMERASE
II-ASSOCIATED FACTOR
1 HOMOLOG, LINKER,
RNA
POLYMERASE-ASSOCIATE
D PROTEIN LEO1)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
4 / 4 ILE A 613
VAL A 617
VAL A 594
ARG A 592
None
1.26A 4m6tA-4ckbA:
undetectable
4m6tA-4ckbA:
12.06
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.
4P3R_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
3 / 3 ASP A 545
ARG A 748
THR A 653
None
0.87A 4p3rA-4ckbA:
undetectable
4p3rA-4ckbA:
9.95
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.
4PFJ_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
4 / 7 THR A 756
HIS A 682
ASN A 550
SER A 740
None
None
SAH  A1845 (-4.1A)
None
0.97A 4pfjA-4ckbA:
5.2
4pfjA-4ckbA:
18.34
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.
4POO_B_SAMB301_0
(PUTATIVE RNA
METHYLASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 GLY A 600
ASN A 601
ASP A 604
ASP A 620
SER A 684
SAH  A1845 (-3.4A)
None
SAH  A1845 ( 4.2A)
SAH  A1845 (-2.7A)
SAH  A1845 ( 4.8A)
0.93A 4pooB-4ckbA:
13.2
4pooB-4ckbA:
13.44
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.
4ZZB_C_ACTC401_0
(PROTON-GATED ION
CHANNEL)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
4 / 7 ILE A 266
PHE A 279
VAL A 312
ILE A 345
None
0.96A 4zzbC-4ckbA:
undetectable
4zzbD-4ckbA:
undetectable
4zzbC-4ckbA:
17.79
4zzbD-4ckbA:
17.79
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.
5LG3_J_Z80J401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 12 ILE A 444
VAL A 424
GLU A 413
ASN A 455
ILE A 477
None
0.95A 5lg3J-4ckbA:
undetectable
5lg3J-4ckbA:
15.84
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.
5ODH_G_ACTG710_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
4 / 4 ARG A 592
ILE A 613
TYR A 608
ILE A 577
None
1.17A 5odhG-4ckbA:
undetectable
5odhG-4ckbA:
23.08
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.
5V5Z_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
3 / 3 GLY A 434
THR A 756
PRO A 760
None
0.53A 5v5zA-4ckbA:
undetectable
5v5zA-4ckbA:
21.43
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.
6CDU_G_EY4G501_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
4 / 7 ILE A 149
GLN A  60
ILE A 158
THR A 153
None
0.84A 6cduF-4ckbA:
undetectable
6cduG-4ckbA:
undetectable
6cduF-4ckbA:
18.95
6cduG-4ckbA:
18.95
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.
6EBP_A_DAHA123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 9 LEU A 700
THR A 701
PHE A 780
PHE A 659
ILE A 597
None
1.17A 6ebpA-4ckbA:
undetectable
6ebpA-4ckbA:
6.83
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.
6EBP_B_DAHB123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 10 LEU A 700
THR A 701
PHE A 780
PHE A 659
ILE A 597
None
1.18A 6ebpB-4ckbA:
undetectable
6ebpB-4ckbA:
6.83
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.
6EBZ_A_DAHA123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
6 / 11 LEU A 700
THR A 701
PHE A 780
PHE A 659
ILE A 654
ILE A 597
None
1.14A 6ebzA-4ckbA:
undetectable
6ebzA-4ckbA:
6.83
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.
6EBZ_B_DAHB123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
6 / 11 LEU A 700
THR A 701
PHE A 780
PHE A 659
ILE A 654
ILE A 597
None
1.18A 6ebzB-4ckbA:
undetectable
6ebzB-4ckbA:
6.83
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.
6EBZ_C_DAHC123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
6 / 11 LEU A 700
THR A 701
PHE A 780
PHE A 659
ILE A 654
ILE A 597
None
1.18A 6ebzC-4ckbA:
undetectable
6ebzC-4ckbA:
6.83
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.
6EBZ_D_DAHD123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
6 / 11 LEU A 700
THR A 701
PHE A 780
PHE A 659
ILE A 654
ILE A 597
None
1.14A 6ebzD-4ckbA:
undetectable
6ebzD-4ckbA:
6.83
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.
6F88_B_STRB502_1
(CYTOCHROME P450
CYP260A1)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
4 / 6 LEU A  18
ALA A  22
LEU A 215
THR A 153
None
0.97A 6f88B-4ckbA:
undetectable
6f88B-4ckbA:
6.51
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.
6FDY_U_DB8U302_1
(-)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
5 / 9 LEU A 252
VAL A 362
PHE A 391
LEU A 242
ILE A 247
None
1.37A 6fdyU-4ckbA:
undetectable
6fdyU-4ckbA:
15.08
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.
6GP2_A_DAHA126_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA CHAIN)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
6 / 11 LEU A 700
THR A 701
PHE A 780
PHE A 659
ILE A 654
ILE A 597
None
1.13A 6gp2A-4ckbA:
undetectable
6gp2A-4ckbA:
7.10
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.
6GP2_B_DAHB126_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA CHAIN)
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia
virus)
6 / 11 LEU A 700
THR A 701
PHE A 780
PHE A 659
ILE A 654
ILE A 597
None
1.14A 6gp2B-4ckbA:
undetectable
6gp2B-4ckbA:
7.10