SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2cun'

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.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A 203
GLY A 357
GLY A 358
GLY A 359
SER A 377
 None
None
None
3PG  A 503 ( 3.1A)
None
 0.90A 1dx6A-2cunA:
undetectable		 1dx6A-2cunA:
21.40
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.
1HSG_B_MK1B902_1
(HIV-1 PROTEASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 10 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.84A 1hsgA-2cunA:
undetectable		 1hsgA-2cunA:
14.32
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.
1MZ9_D_VDYD1001_2
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		3 / 3 LEU A 159
VAL A 394
LEU A 392
 None
 0.48A 1mz9B-2cunA:
undetectable		 1mz9B-2cunA:
8.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ILE A 304
VAL A 343
ALA A 363
SER A 364
GLY A 197
 None
None
MPD  A 508 ( 4.8A)
None
None
 0.83A 1nbiA-2cunA:
3.1		 1nbiA-2cunA:
25.00
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.
1NBI_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ILE A 304
VAL A 343
ALA A 363
SER A 364
GLY A 197
 None
None
MPD  A 508 ( 4.8A)
None
None
 0.82A 1nbiB-2cunA:
3.1		 1nbiB-2cunA:
25.00
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.
1NCW_H_BEZH601_0
(IMMUNOGLOBULIN IGG2A)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 9 ALA A 227
ASN A 228
LEU A 225
GLY A 198
GLY A 329
 None
 1.20A 1ncwH-2cunA:
undetectable
1ncwL-2cunA:
undetectable		 1ncwH-2cunA:
18.50
1ncwL-2cunA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OHR_A_1UNA201_2
(ASPARTYLPROTEASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 9 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.93A 1ohrB-2cunA:
undetectable		 1ohrB-2cunA:
14.32
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.
1RUK_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 8 ALA A 227
ASN A 228
LEU A 225
GLY A 198
GLY A 329
 None
 1.22A 1rukH-2cunA:
undetectable
1rukL-2cunA:
undetectable		 1rukH-2cunA:
18.50
1rukL-2cunA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RUM_H_BEZH1601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 9 ALA A 227
ASN A 228
LEU A 225
GLY A 198
GLY A 329
 None
 1.18A 1rumH-2cunA:
undetectable
1rumL-2cunA:
0.0		 1rumH-2cunA:
18.50
1rumL-2cunA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RUP_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 9 ALA A 227
ASN A 228
LEU A 225
GLY A 198
GLY A 329
 None
 1.21A 1rupH-2cunA:
undetectable
1rupL-2cunA:
0.0		 1rupH-2cunA:
18.50
1rupL-2cunA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDT_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 10 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.81A 1sdtA-2cunA:
undetectable		 1sdtA-2cunA:
15.50
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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A 203
GLY A 357
GLY A 358
GLY A 359
SER A 377
 None
None
None
3PG  A 503 ( 3.1A)
None
 0.92A 1w6rA-2cunA:
undetectable		 1w6rA-2cunA:
21.40
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.
2A7Q_A_CFBA328_2
(DEOXYCYTIDINE KINASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		4 / 4 ILE A 261
ASP A 203
LEU A 196
ARG A 213
 None
 1.22A 2a7qA-2cunA:
undetectable		 2a7qA-2cunA:
20.10
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.
2AVO_B_MK1B902_1
(POL POLYPROTEIN)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 9 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.81A 2avoA-2cunA:
undetectable		 2avoA-2cunA:
14.73
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.
2ECP_A_ACRA992_1
(MALTODEXTRIN
PHOSPHORYLASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 10 ASN A 146
LEU A  16
ARG A  17
HIS A  57
ALA A 152
 None
None
None
GOL  A 501 (-4.2A)
None
 1.33A 2ecpA-2cunA:
undetectable		 2ecpA-2cunA:
19.31
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.
2ECP_B_ACRB992_1
(MALTODEXTRIN
PHOSPHORYLASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 10 ASN A 146
LEU A  16
ARG A  17
HIS A  57
ALA A 152
 None
None
None
GOL  A 501 (-4.2A)
None
 1.38A 2ecpB-2cunA:
undetectable		 2ecpB-2cunA:
19.31
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.
2F8G_B_017B401_2
(POL POLYPROTEIN)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.90A 2f8gB-2cunA:
undetectable		 2f8gB-2cunA:
14.95
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.
2HC4_A_VDXA525_1
(VITAMIN D RECEPTOR)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 PHE A 344
LEU A 356
VAL A 355
SER A 361
LEU A 173
 None
 1.26A 2hc4A-2cunA:
undetectable		 2hc4A-2cunA:
22.20
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.
2O4L_A_TPVA403_2
(PROTEASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.79A 2o4lB-2cunA:
undetectable		 2o4lB-2cunA:
13.79
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.
2Q63_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.84A 2q63A-2cunA:
undetectable		 2q63A-2cunA:
14.57
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.
3A51_A_VDYA6178_1
(VITAMIN D
HYDROXYLASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 11 THR A  69
ILE A  87
THR A  13
VAL A 140
LEU A 137
 None
 1.00A 3a51A-2cunA:
undetectable		 3a51A-2cunA:
21.91
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.
3A51_C_VDYC6178_1
(VITAMIN D
HYDROXYLASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 THR A  69
ILE A  87
THR A  13
VAL A 140
LEU A 137
 None
 0.99A 3a51C-2cunA:
undetectable		 3a51C-2cunA:
21.91
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.
3A51_D_VDYD6178_1
(VITAMIN D
HYDROXYLASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 THR A  69
ILE A  87
THR A  13
VAL A 140
LEU A 137
 None
 1.00A 3a51D-2cunA:
undetectable		 3a51D-2cunA:
21.91
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.
3A51_E_VDYE6178_1
(VITAMIN D
HYDROXYLASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 THR A  69
ILE A  87
THR A  13
VAL A 140
LEU A 137
 None
 1.01A 3a51E-2cunA:
undetectable		 3a51E-2cunA:
21.91
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.
3AXZ_A_ADNA401_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 LEU A 196
GLY A 326
GLY A 358
GLY A 198
GLY A 197
 None
 1.06A 3axzA-2cunA:
2.1		 3axzA-2cunA:
21.45
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.
3D1Y_A_ROCA201_2
(HIV-1 PROTEASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 9 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.81A 3d1yB-2cunA:
undetectable		 3d1yB-2cunA:
15.76
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.
3EM3_B_478B200_2
(PROTEASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 10 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.91A 3em3B-2cunA:
undetectable		 3em3B-2cunA:
13.99
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.
3EM6_A_017A200_2
(PROTEASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.86A 3em6B-2cunA:
undetectable		 3em6B-2cunA:
13.33
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.
3G9E_A_RO7A1_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 GLY A 381
TYR A 194
LEU A 196
VAL A 226
LEU A 181
 3PG  A 503 (-3.5A)
None
None
None
None
 1.24A 3g9eA-2cunA:
undetectable		 3g9eA-2cunA:
23.22
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.
3K4V_B_ROCB201_3
(HIV-1 PROTEASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.83A 3k4vB-2cunA:
undetectable		 3k4vB-2cunA:
15.50
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.
3KP6_A_SALA3002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 8 VAL A  75
LEU A  76
ILE A  29
ARG A  34
LEU A  20
 None
None
None
3PG  A 503 (-2.9A)
None
 1.39A 3kp6A-2cunA:
undetectable
3kp6B-2cunA:
undetectable		 3kp6A-2cunA:
19.37
3kp6B-2cunA:
19.37
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.
3NDT_A_ROCA101_3
(PROTEASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.86A 3ndtB-2cunA:
undetectable		 3ndtB-2cunA:
15.50
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.
3OXX_A_DR7A100_2
(HIV-1 PROTEASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 11 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.93A 3oxxB-2cunA:
undetectable		 3oxxB-2cunA:
13.09
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.
3OXX_C_DR7C100_2
(HIV-1 PROTEASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 11 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.78A 3oxxD-2cunA:
undetectable		 3oxxD-2cunA:
13.09
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.
3SFU_A_RBVA601_1
(RNA POLYMERASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 9 THR A  56
ASN A  21
TYR A  66
GLY A  59
ASP A  65
 None
GOL  A 501 (-3.8A)
None
None
None
 1.36A 3sfuA-2cunA:
undetectable		 3sfuA-2cunA:
23.79
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.
3TKW_B_017B401_2
(PROTEASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.80A 3tkwB-2cunA:
undetectable		 3tkwB-2cunA:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TL9_A_ROCA401_1
(PROTEASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.86A 3tl9A-2cunA:
undetectable		 3tl9A-2cunA:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TL9_A_ROCA401_3
(PROTEASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.81A 3tl9B-2cunA:
undetectable		 3tl9B-2cunA:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFN_A_ROCA401_1
(HIV-1 PROTEASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		6 / 11 ASP A 274
GLY A 305
ASP A 303
GLY A 224
GLY A 223
THR A 231
 None
 1.27A 3ufnA-2cunA:
undetectable		 3ufnA-2cunA:
13.73
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.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 148
ASN A 146
ASP A  65
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.45A 3w37A-2cunA:
undetectable		 3w37A-2cunA:
17.43
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.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 148
ASN A 146
ILE A  29
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.33A 3w37A-2cunA:
undetectable		 3w37A-2cunA:
17.43
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.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 148
ASN A 146
ASP A  65
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.44A 3welA-2cunA:
undetectable		 3welA-2cunA:
17.43
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.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 148
ASN A 146
ILE A  29
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.33A 3welA-2cunA:
undetectable		 3welA-2cunA:
17.43
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.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 148
ASN A 146
ASP A  65
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.39A 3wemA-2cunA:
undetectable		 3wemA-2cunA:
17.43
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.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 148
ASN A 146
ILE A  29
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.11A 3wemA-2cunA:
undetectable		 3wemA-2cunA:
17.43
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.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 148
ASN A 146
ASP A  65
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.38A 3wenA-2cunA:
undetectable		 3wenA-2cunA:
17.43
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.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 148
ASN A 146
ILE A  29
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.11A 3wenA-2cunA:
undetectable		 3wenA-2cunA:
17.43
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.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 148
ASN A 146
ASP A  65
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.43A 3weoA-2cunA:
undetectable		 3weoA-2cunA:
17.43
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.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 148
ASN A 146
ILE A  29
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.14A 3weoA-2cunA:
undetectable		 3weoA-2cunA:
17.43
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.
4CCQ_A_ACTA1317_0
(THIOREDOXIN
REDUCTASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		3 / 3 LEU A 113
GLU A 111
SER A 116
 None
 0.76A 4ccqA-2cunA:
2.1		 4ccqA-2cunA:
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.
4DQB_B_017B101_1
(ASPARTYL PROTEASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.87A 4dqbA-2cunA:
undetectable		 4dqbA-2cunA:
15.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQF_B_017B101_1
(ASPARTYL PROTEASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.94A 4dqfA-2cunA:
undetectable		 4dqfA-2cunA:
13.95
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.
4F84_A_SAMA501_0
(GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 GLY A 339
GLY A 329
VAL A 341
THR A 340
TYR A 312
 None
 1.06A 4f84A-2cunA:
undetectable		 4f84A-2cunA:
21.85
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.
4JEC_B_478B401_1
(HIV-1 PROTEASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.79A 4jecA-2cunA:
undetectable		 4jecA-2cunA:
15.50
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.
4KLR_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		3 / 3 LEU A 392
PRO A 393
ARG A  34
 None
None
3PG  A 503 (-2.9A)
 0.62A 4klrB-2cunA:
2.9		 4klrB-2cunA:
22.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 GLY A 198
ALA A 199
GLY A 224
GLY A 329
VAL A 330
 None
 0.52A 4o33A-2cunA:
42.8		 4o33A-2cunA:
34.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 GLY A 198
ALA A 199
GLY A 224
GLY A 329
VAL A 330
 None
 0.41A 4o3fA-2cunA:
41.9		 4o3fA-2cunA:
33.86
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.
4PUO_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		4 / 8 VAL A 145
VAL A  52
TYR A 143
TYR A  44
 None
 1.00A 4puoC-2cunA:
undetectable		 4puoC-2cunA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q1X_A_017A101_2
(ASPARTYL PROTEASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.84A 4q1xB-2cunA:
undetectable		 4q1xB-2cunA:
14.07
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.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		4 / 5 ILE A 178
PHE A   7
HIS A 375
ASP A 147
 None
 1.40A 4rzvB-2cunA:
undetectable		 4rzvB-2cunA:
19.04
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.
4XQG_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		4 / 8 ARG A 283
ASP A 303
PHE A 275
ASP A 274
 None
 0.81A 4xqgA-2cunA:
3.1		 4xqgA-2cunA:
23.22
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.
4XQG_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		4 / 8 ARG A 283
ASP A 303
PHE A 275
ASP A 274
 None
 0.83A 4xqgB-2cunA:
3.2		 4xqgB-2cunA:
23.22
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.
5GWZ_D_010D6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
PEDV MAIN PROTEASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		3 / 3 MET A  24
HIS A  72
GLY A  59
 None
 0.84A 5gwzB-2cunA:
undetectable		 5gwzB-2cunA:
21.45
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.
5IH0_A_ERYA404_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 HIS A  72
ALA A 148
SER A 116
ILE A  90
PHE A 115
 None
None
None
MPD  A 509 (-3.9A)
None
 1.25A 5ih0A-2cunA:
undetectable		 5ih0A-2cunA:
22.09
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.
5IWU_A_ERYA404_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 HIS A  72
ALA A 148
SER A 116
ILE A  90
PHE A 115
 None
None
None
MPD  A 509 (-3.9A)
None
 1.16A 5iwuA-2cunA:
undetectable		 5iwuA-2cunA:
22.09
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.
5KR2_C_ROCC101_2
(PROTEASE PR5-SQV)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 9 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.80A 5kr2D-2cunA:
undetectable		 5kr2D-2cunA:
14.73
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.
5M10_A_NCAA603_0
(CYCLOHEXANONE
MONOOXYGENASE FROM
THERMOCRISPUM
MUNICIPALE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		4 / 5 LEU A 133
ARG A  17
PHE A  15
LEU A 110
 None
 1.29A 5m10A-2cunA:
3.2		 5m10A-2cunA:
22.08
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.
5UIH_A_8CVA201_1
(DIHYDROFOLATE
REDUCTASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		4 / 8 ILE A 193
ALA A 217
LEU A 196
ILE A 322
 None
 0.91A 5uihA-2cunA:
undetectable		 5uihA-2cunA:
9.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DIF_B_TPVB201_1
(HIV-1 PROTEASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.81A 6difB-2cunA:
undetectable		 6difB-2cunA:
14.25