SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4aef'

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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 TYR A 270
ASP A 411
HIS A 501
ASP A 502
ARG A 552
 None
 0.47A 1dedA-4aefA:
37.2		 1dedA-4aefA:
21.22
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		7 / 12 TYR A 270
ARG A 409
ASP A 411
GLU A 437
HIS A 501
ASP A 502
ARG A 552
 None
 0.68A 1dedB-4aefA:
33.2		 1dedB-4aefA:
21.22
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.
1HXW_B_RITB301_1
(HIV-1 PROTEASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 9 GLY A 528
GLY A 452
ILE A 435
PRO A 201
ILE A 205
 None
 1.10A 1hxwA-4aefA:
undetectable		 1hxwA-4aefA:
9.39
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		8 / 12 TYR A 270
HIS A 310
PHE A 373
ARG A 409
ASP A 411
GLU A 437
HIS A 501
ASP A 502
 None
 0.81A 1mxdA-4aefA:
30.1		 1mxdA-4aefA:
20.75
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.
1N49_B_RITB301_1
(PROTEASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		4 / 7 GLY A 452
ILE A 435
PRO A 201
ILE A 205
 None
 0.78A 1n49A-4aefA:
undetectable		 1n49A-4aefA:
10.17
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.
1N49_D_RITD401_2
(PROTEASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		4 / 6 GLY A 452
ILE A 435
PRO A 201
ILE A 205
 None
 0.82A 1n49D-4aefA:
undetectable		 1n49D-4aefA:
10.17
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.
1T88_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		4 / 7 LEU A 642
VAL A 633
GLY A 632
VAL A 620
 None
 0.98A 1t88A-4aefA:
undetectable		 1t88A-4aefA:
19.24
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.
1WRL_A_TFPA204_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		4 / 7 PHE A 476
LEU A 458
PHE A 593
VAL A 589
 None
 0.94A 1wrlA-4aefA:
undetectable
1wrlB-4aefA:
undetectable		 1wrlA-4aefA:
9.67
1wrlB-4aefA:
9.67
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.
2AOX_A_THAA400_1
(HISTAMINE
N-METHYLTRANSFERASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		4 / 8 GLU A 479
TYR A 486
TYR A 487
TRP A  64
 None
 1.49A 2aoxA-4aefA:
undetectable		 2aoxA-4aefA:
16.87
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		4 / 7 GLY A 123
HIS A 126
TYR A 119
PRO A 489
 None
 1.19A 2armA-4aefA:
undetectable		 2armA-4aefA:
10.42
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.
2DR2_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 11 TYR A 210
GLY A 535
GLY A 539
ILE A 212
PHE A 217
 None
 1.47A 2dr2A-4aefA:
undetectable		 2dr2A-4aefA:
21.14
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.
2DYS_P_CHDP310_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		4 / 7 GLN A 132
PHE A 158
LEU A 129
PHE A 176
 None
 1.04A 2dysP-4aefA:
undetectable
2dysW-4aefA:
undetectable		 2dysP-4aefA:
19.49
2dysW-4aefA:
6.73
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.
2F80_B_017B301_1
(POL POLYPROTEIN)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 GLY A 528
GLY A 452
ILE A 435
PRO A 201
ILE A 205
 None
 0.99A 2f80A-4aefA:
undetectable		 2f80A-4aefA:
9.73
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.
2HS2_A_017A201_1
(PROTEASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 GLY A 528
GLY A 452
ILE A 435
PRO A 201
ILE A 205
 None
 1.00A 2hs2A-4aefA:
undetectable		 2hs2A-4aefA:
9.26
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.
2QQD_B_AG2B671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		4 / 8 ILE A 239
LEU A 258
LEU A 282
GLY A 283
 None
 0.92A 2qqdB-4aefA:
undetectable
2qqdC-4aefA:
undetectable		 2qqdB-4aefA:
12.03
2qqdC-4aefA:
14.64
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.
3ABL_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		4 / 6 GLN A 132
PHE A 158
LEU A 129
PHE A 176
 None
 1.05A 3ablP-4aefA:
undetectable
3ablW-4aefA:
undetectable		 3ablP-4aefA:
19.49
3ablW-4aefA:
6.73
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 ARG A 409
ASP A 411
GLU A 437
HIS A 501
ASP A 502
 None
 0.68A 3aicA-4aefA:
6.1		 3aicA-4aefA:
22.12
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 ARG A 409
ASP A 411
GLU A 437
HIS A 501
ASP A 502
 None
 0.66A 3aicB-4aefA:
6.0		 3aicB-4aefA:
22.12
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		6 / 12 ARG A 409
ASP A 411
GLU A 437
HIS A 501
ASP A 502
TYR A 270
 None
 0.79A 3aicC-4aefA:
7.1		 3aicC-4aefA:
22.12
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 ARG A 409
ASP A 411
GLU A 437
HIS A 501
ASP A 502
 None
 0.74A 3aicD-4aefA:
6.2		 3aicD-4aefA:
22.12
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 ARG A 409
ASP A 411
GLU A 437
HIS A 501
ASP A 502
 None
 0.70A 3aicE-4aefA:
6.8		 3aicE-4aefA:
22.12
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 ARG A 409
ASP A 411
GLU A 437
HIS A 501
ASP A 502
 None
 0.67A 3aicF-4aefA:
6.2		 3aicF-4aefA:
22.12
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 ARG A 409
ASP A 411
GLU A 437
HIS A 501
ASP A 502
 None
 0.66A 3aicG-4aefA:
6.3		 3aicG-4aefA:
22.12
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 ARG A 409
ASP A 411
GLU A 437
HIS A 501
ASP A 502
 None
 0.73A 3aicH-4aefA:
6.3		 3aicH-4aefA:
22.12
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 PHE A  21
PHE A 158
LEU A 157
GLU A 156
ARG A 101
 None
 1.30A 3apvB-4aefA:
undetectable		 3apvB-4aefA:
12.77
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.
3D20_A_017A201_1
(HIV-1 PROTEASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 GLY A 528
GLY A 452
ILE A 435
PRO A 201
ILE A 205
 None
 1.01A 3d20A-4aefA:
undetectable		 3d20A-4aefA:
9.73
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 ASP A 106
ASP A   9
GLY A  14
SER A 114
TYR A 117
 None
 1.10A 3hiiA-4aefA:
undetectable		 3hiiA-4aefA:
20.28
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 TYR A 188
ASP A   9
GLY A  14
SER A 114
TYR A 117
 None
 1.15A 3hiiA-4aefA:
undetectable		 3hiiA-4aefA:
20.28
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.
3I45_A_NIOA500_1
(TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		4 / 8 GLU A 479
LEU A 482
TYR A 487
TYR A 486
 None
 0.99A 3i45A-4aefA:
undetectable		 3i45A-4aefA:
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 10 ASP A 502
PHE A 533
PHE A 217
LEU A 258
ASP A 305
 None
 1.23A 3m0wC-4aefA:
undetectable
3m0wD-4aefA:
undetectable
3m0wE-4aefA:
undetectable
3m0wF-4aefA:
undetectable		 3m0wC-4aefA:
10.32
3m0wD-4aefA:
10.32
3m0wE-4aefA:
10.32
3m0wF-4aefA:
10.32
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.
3MWS_B_017B201_1
(HIV-1 PROTEASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 GLY A 528
GLY A 452
ILE A 435
PRO A 201
ILE A 205
 None
 1.02A 3mwsA-4aefA:
undetectable		 3mwsA-4aefA:
9.86
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.
3NU3_B_478B401_1
(PROTEASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 GLY A 528
GLY A 452
ILE A 435
PRO A 201
ILE A 205
 None
 0.95A 3nu3A-4aefA:
undetectable		 3nu3A-4aefA:
9.73
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.
3OU7_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 LEU A 507
TYR A 630
ALA A 519
ASP A 536
LEU A 498
 None
 1.13A 3ou7A-4aefA:
undetectable		 3ou7A-4aefA:
15.94
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.
3PRS_A_RITA1001_2
(ENDOTHIAPEPSIN)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 ASP A 215
ASP A 305
GLY A 306
PHE A 308
ILE A 272
 None
 1.13A 3prsA-4aefA:
undetectable		 3prsA-4aefA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PWM_B_017B402_1
(PROTEASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 GLY A 528
GLY A 452
ILE A 435
PRO A 201
ILE A 205
 None
 1.05A 3pwmA-4aefA:
undetectable		 3pwmA-4aefA:
10.37
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.
3U5K_A_08JA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		4 / 8 TRP A 400
VAL A 302
LEU A 292
ILE A 261
 None
 0.87A 3u5kA-4aefA:
undetectable		 3u5kA-4aefA:
13.87
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.
3U5K_C_08JC3_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		4 / 8 TRP A 400
VAL A 302
LEU A 292
ILE A 261
 None
 0.87A 3u5kC-4aefA:
undetectable		 3u5kC-4aefA:
13.87
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.
3U5K_D_08JD4_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		4 / 8 TRP A 400
VAL A 302
LEU A 292
ILE A 261
 None
 0.82A 3u5kD-4aefA:
undetectable		 3u5kD-4aefA:
13.87
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.
3UGR_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		4 / 7 TYR A 433
ASN A 496
GLU A 491
TYR A 526
 None
 1.20A 3ugrA-4aefA:
5.4		 3ugrA-4aefA:
19.46
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.
3V3O_B_T1CB405_1
(TETX2 PROTEIN)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 PHE A 122
ASN A 587
GLY A 123
ALA A 490
GLY A 488
 None
 1.21A 3v3oB-4aefA:
undetectable		 3v3oB-4aefA:
20.69
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.
4A6N_A_T1CA392_1
(TETX2 PROTEIN)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 11 PHE A 122
ASN A 587
GLY A 123
ALA A 490
GLY A 488
 None
 1.25A 4a6nA-4aefA:
undetectable		 4a6nA-4aefA:
20.30
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.
4DJF_B_C2FB300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 GLU A 243
ILE A 212
LEU A 258
SER A 220
GLN A 224
 None
 1.46A 4djfB-4aefA:
9.1		 4djfB-4aefA:
16.77
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_2
(HIV-1 PROTEASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 GLY A 528
GLY A 452
ILE A 435
PRO A 201
ILE A 205
 None
 1.05A 4jecB-4aefA:
undetectable		 4jecB-4aefA:
9.73
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.
4MWV_A_BCZA513_1
(NEURAMINIDASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		3 / 3 ARG A 602
GLU A 491
ARG A 577
 None
 0.91A 4mwvA-4aefA:
undetectable		 4mwvA-4aefA:
18.54
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.
4QB9_A_PARA500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 10 PHE A 476
GLU A 504
ASP A 499
TYR A  91
GLY A  90
 None
 1.21A 4qb9A-4aefA:
undetectable		 4qb9A-4aefA:
21.90
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.
4QB9_D_PARD500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		4 / 8 PHE A 476
GLU A 504
ASP A 499
TYR A  91
 None
 1.34A 4qb9D-4aefA:
undetectable		 4qb9D-4aefA:
21.90
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.
4QB9_E_PARE500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 PHE A 476
GLU A 504
ASP A 499
TYR A  91
GLY A  90
 None
 1.19A 4qb9E-4aefA:
undetectable		 4qb9E-4aefA:
21.90
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.
5A7M_A_ACTA1923_0
(BETA-XYLOSIDASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		3 / 3 ASP A 460
ARG A 457
TYR A  91
 None
 0.98A 5a7mA-4aefA:
4.6		 5a7mA-4aefA:
21.99
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.
5A7M_B_ACTB1924_0
(BETA-XYLOSIDASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		3 / 3 ASP A 460
ARG A 457
TYR A  91
 None
 0.96A 5a7mB-4aefA:
5.8		 5a7mB-4aefA:
21.99
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 ARG A 409
ASP A 411
GLU A 437
HIS A 501
ASP A 502
 None
 0.48A 5csyB-4aefA:
3.9		 5csyB-4aefA:
22.62
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.
5G08_A_Z80A1187_1
(FREQUENIN 2)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		4 / 6 ILE A 300
PHE A 298
PHE A 217
TRP A 557
 None
 1.30A 5g08A-4aefA:
undetectable		 5g08A-4aefA:
16.30
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.
5IGY_A_ERYA403_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 ILE A 538
PHE A 217
ALA A 218
SER A 550
ILE A 543
 None
 1.16A 5igyA-4aefA:
undetectable		 5igyA-4aefA:
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.
5IGY_A_ERYA403_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		4 / 6 TYR A 456
ILE A 435
TYR A 257
TYR A 270
 None
 1.47A 5igyA-4aefA:
undetectable		 5igyA-4aefA:
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.
5VLM_C_CVIC301_1
(REGULATORY PROTEIN
TETR)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		4 / 7 GLY A 407
ILE A 435
TRP A 203
TYR A 257
 None
 1.14A 5vlmC-4aefA:
undetectable		 5vlmC-4aefA:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 TYR A 270
HIS A 310
ASP A 411
HIS A 501
ASP A 502
 None
 0.66A 6ag0A-4aefA:
24.4		 6ag0A-4aefA:
7.92
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.
6DH3_A_017A101_1
(PROTEASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		5 / 12 GLY A 528
GLY A 452
ILE A 435
PRO A 201
ILE A 205
 None
 1.00A 6dh3B-4aefA:
undetectable		 6dh3B-4aefA:
8.44
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.
6EP4_A_DMEA601_1
(CHOLINESTERASE)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		4 / 5 TRP A  64
TYR A 486
TYR A   2
HIS A  65
 None
 1.34A 6ep4A-4aefA:
undetectable		 6ep4A-4aefA:
7.50
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.
6NMP_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4aef NEOPULLULANASE
(ALPHA-AMYLASE II)
(Pyrococcus
furiosus) 		4 / 6 GLN A 132
PHE A 158
LEU A 129
PHE A 176
 None
 1.09A 6nmpC-4aefA:
undetectable
6nmpJ-4aefA:
undetectable		 6nmpC-4aefA:
19.49
6nmpJ-4aefA:
6.73