SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4pfw'

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.
1DMA_B_NCAB700_0
(EXOTOXIN A)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 6 HIS A  98
GLY A 186
TYR A 190
ALA A 192
None
0.94A 1dmaB-4pfwA:
undetectable
1dmaB-4pfwA:
16.36
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.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 11 ALA A 304
LEU A 511
LEU A 280
ILE A 298
ALA A 299
None
0.81A 1ha2A-4pfwA:
undetectable
1ha2A-4pfwA:
19.87
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.
1HPK_A_ACAA80_1
(PLASMINOGEN)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 6 PRO A 220
ASN A 523
ASP A 522
TRP A 528
None
1.45A 1hpkA-4pfwA:
undetectable
1hpkA-4pfwA:
10.08
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.
1I7Z_A_COCA301_2
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION
CHIMERA OF IG
GAMMA-1 CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 5 GLU A 531
TYR A 266
PRO A 269
ASP A 267
None
1.31A 1i7zB-4pfwA:
undetectable
1i7zB-4pfwA:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I7Z_C_COCC302_2
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION
CHIMERA OF IG
GAMMA-1 CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 4 GLU A 531
TYR A 266
PRO A 269
ASP A 267
None
1.27A 1i7zD-4pfwA:
0.0
1i7zD-4pfwA:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXQ_A_P1ZA2002_1
(SERUM ALBUMIN)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
6 / 12 LEU A 282
LEU A 401
ILE A 397
SER A 301
ILE A 302
ALA A 299
None
1.38A 2bxqA-4pfwA:
undetectable
2bxqA-4pfwA:
19.87
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.
2C2B_F_SAMF501_0
(THREONINE SYNTHASE
1, CHLOROPLASTIC)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 6 ASN A 527
TRP A 265
ASN A 530
TRP A 537
None
1.41A 2c2bC-4pfwA:
1.2
2c2bE-4pfwA:
0.0
2c2bF-4pfwA:
1.2
2c2bC-4pfwA:
21.49
2c2bE-4pfwA:
21.49
2c2bF-4pfwA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QHF_A_NCAA493_0
(CHORISMATE SYNTHASE)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 11 ALA A 304
ILE A 397
MET A 431
ALA A 393
VAL A 396
None
1.06A 2qhfA-4pfwA:
undetectable
2qhfA-4pfwA:
22.24
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.
2WEY_B_EV1B1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 8 LEU A 503
VAL A 277
ILE A 449
PHE A 450
None
0.95A 2weyB-4pfwA:
undetectable
2weyB-4pfwA:
19.75
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.
3ABK_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 6 ARG A 296
LEU A 506
PHE A 508
LEU A 503
None
0.91A 3abkP-4pfwA:
undetectable
3abkW-4pfwA:
undetectable
3abkP-4pfwA:
19.14
3abkW-4pfwA:
6.76
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.
3AG1_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 6 ARG A 296
LEU A 506
PHE A 508
LEU A 503
None
0.89A 3ag1C-4pfwA:
undetectable
3ag1J-4pfwA:
undetectable
3ag1C-4pfwA:
19.14
3ag1J-4pfwA:
6.76
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.
3AIC_A_ACRA5044_2
(GLUCOSYLTRANSFERASE-
SI)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
3 / 3 LEU A  56
TRP A 544
TYR A  30
None
BMA  A 604 ( 4.0A)
None
0.89A 3aicA-4pfwA:
undetectable
3aicA-4pfwA:
19.10
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.
3AIC_B_ACRB5044_2
(GLUCOSYLTRANSFERASE-
SI)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
3 / 3 LEU A  56
TRP A 544
TYR A  30
None
BMA  A 604 ( 4.0A)
None
0.89A 3aicB-4pfwA:
undetectable
3aicB-4pfwA:
19.10
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.
3AIC_E_ACRE5044_2
(GLUCOSYLTRANSFERASE-
SI)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
3 / 3 LEU A  56
TRP A 544
TYR A  30
None
BMA  A 604 ( 4.0A)
None
0.86A 3aicE-4pfwA:
undetectable
3aicE-4pfwA:
19.10
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.
3AIC_F_ACRF5044_2
(GLUCOSYLTRANSFERASE-
SI)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
3 / 3 LEU A  56
TRP A 544
TYR A  30
None
BMA  A 604 ( 4.0A)
None
0.81A 3aicF-4pfwA:
undetectable
3aicF-4pfwA:
19.10
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.
3AIC_G_ACRG5044_2
(GLUCOSYLTRANSFERASE-
SI)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
3 / 3 LEU A  56
TRP A 544
TYR A  30
None
BMA  A 604 ( 4.0A)
None
0.87A 3aicG-4pfwA:
undetectable
3aicG-4pfwA:
19.10
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.
3AIC_H_ACRH5044_2
(GLUCOSYLTRANSFERASE-
SI)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
3 / 3 LEU A  56
TRP A 544
TYR A  30
None
BMA  A 604 ( 4.0A)
None
0.87A 3aicH-4pfwA:
undetectable
3aicH-4pfwA:
19.10
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.
3BCR_A_AZZA940_1
(GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 5 ASN A 432
PHE A 281
ALA A 433
GLY A 435
None
None
BMA  A 606 ( 4.2A)
BMA  A 605 ( 3.6A)
1.21A 3bcrA-4pfwA:
undetectable
3bcrA-4pfwA:
20.07
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.
3BMC_A_FOLA270_0
(PTERIDINE REDUCTASE)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 11 PHE A 324
PRO A 442
TYR A 445
PRO A 335
GLU A 493
None
1.34A 3bmcA-4pfwA:
undetectable
3bmcA-4pfwA:
19.75
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.
3BMC_B_FOLB270_0
(PTERIDINE REDUCTASE)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 11 PHE A 324
PRO A 442
TYR A 445
PRO A 335
GLU A 493
None
1.39A 3bmcB-4pfwA:
0.0
3bmcB-4pfwA:
19.75
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.
3BMC_D_FOLD270_0
(PTERIDINE REDUCTASE)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 12 PHE A 324
PRO A 442
TYR A 445
PRO A 335
GLU A 493
None
1.31A 3bmcD-4pfwA:
undetectable
3bmcD-4pfwA:
19.75
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.
3EBZ_B_017B201_1
(PROTEASE)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 11 ALA A 393
ASP A 389
GLY A 279
ILE A 509
ILE A 307
None
BMA  A 607 ( 2.9A)
None
None
None
0.88A 3ebzA-4pfwA:
undetectable
3ebzA-4pfwA:
10.80
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.
3IB0_A_DIFA701_1
(LACTOTRANSFERRIN)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 4 PRO A 189
TYR A 190
GLY A  55
THR A  54
None
1.48A 3ib0A-4pfwA:
4.4
3ib0A-4pfwA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MNO_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 12 GLY A  31
MET A  28
VAL A 223
LEU A 553
PHE A 518
None
1.17A 3mnoA-4pfwA:
undetectable
3mnoA-4pfwA:
21.09
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.
3MNP_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 12 GLY A  31
MET A  28
VAL A 223
LEU A 553
PHE A 518
None
1.18A 3mnpA-4pfwA:
undetectable
3mnpA-4pfwA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8X_A_NIMA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 12 PHE A 245
ILE A 552
GLY A 548
ALA A 536
LEU A  67
None
1.25A 3n8xA-4pfwA:
undetectable
3n8xA-4pfwA:
22.80
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.
3N8X_B_NIMB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 12 PHE A 245
ILE A 552
GLY A 548
ALA A 536
LEU A  67
None
1.10A 3n8xB-4pfwA:
undetectable
3n8xB-4pfwA:
22.80
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.
3OY4_B_017B200_1
(HIV-1 PROTEASE)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 11 ALA A 393
ASP A 389
GLY A 279
ILE A 509
ILE A 307
None
BMA  A 607 ( 2.9A)
None
None
None
0.92A 3oy4A-4pfwA:
undetectable
3oy4A-4pfwA:
11.13
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.
3S45_B_478B201_1
(PROTEASE)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 9 ALA A 393
ASP A 389
GLY A 279
ILE A 509
ILE A 307
None
BMA  A 607 ( 2.9A)
None
None
None
0.92A 3s45A-4pfwA:
undetectable
3s45A-4pfwA:
10.80
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.
3TGV_B_BEZB1_0
(HEME-BINDING PROTEIN
HUTZ)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 6 TYR A 287
PHE A 360
PRO A 372
LEU A 358
None
1.13A 3tgvB-4pfwA:
undetectable
3tgvB-4pfwA:
13.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TGV_C_BEZC1_0
(HEME-BINDING PROTEIN
HUTZ)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 5 TYR A 287
PHE A 360
PRO A 372
LEU A 358
None
1.11A 3tgvC-4pfwA:
undetectable
3tgvC-4pfwA:
13.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TGV_D_BEZD1_0
(HEME-BINDING PROTEIN
HUTZ)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 6 TYR A 287
PHE A 360
PRO A 372
LEU A 358
None
1.13A 3tgvD-4pfwA:
undetectable
3tgvD-4pfwA:
13.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9H_A_NCAA1163_0
(TANKYRASE-2)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 8 HIS A  98
GLY A 186
TYR A 190
ALA A 192
None
0.86A 3u9hA-4pfwA:
undetectable
3u9hA-4pfwA:
16.83
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.
3U9H_B_NCAB1164_0
(TANKYRASE-2)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 8 HIS A  98
GLY A 186
TYR A 190
ALA A 192
None
0.89A 3u9hB-4pfwA:
undetectable
3u9hB-4pfwA:
16.83
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.
3V3N_B_MIYB2001_1
(TETX2 PROTEIN)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 8 GLN A 521
GLY A 241
GLY A  32
ASN A 231
None
None
None
BMA  A 607 ( 2.7A)
0.93A 3v3nB-4pfwA:
undetectable
3v3nB-4pfwA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V3N_C_MIYC2001_1
(TETX2 PROTEIN)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 8 GLN A 521
GLY A 241
GLY A  32
ASN A 231
None
None
None
BMA  A 607 ( 2.7A)
0.94A 3v3nC-4pfwA:
undetectable
3v3nC-4pfwA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 6 ARG A 296
LEU A 506
PHE A 508
LEU A 503
None
0.91A 3wg7P-4pfwA:
undetectable
3wg7W-4pfwA:
undetectable
3wg7P-4pfwA:
19.14
3wg7W-4pfwA:
6.76
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 8 HIS A  98
GLY A 186
TYR A 190
ALA A 192
None
0.86A 4bjcA-4pfwA:
undetectable
4bjcA-4pfwA:
16.83
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.
4C49_C_HCYC1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 12 VAL A 213
ARG A  92
ILE A  95
HIS A  98
TRP A 208
None
1.47A 4c49C-4pfwA:
undetectable
4c49C-4pfwA:
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.
4DQB_B_017B101_1
(ASPARTYL PROTEASE)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 12 ALA A 393
ASP A 389
GLY A 279
ILE A 509
ILE A 307
None
BMA  A 607 ( 2.9A)
None
None
None
0.93A 4dqbA-4pfwA:
undetectable
4dqbA-4pfwA:
11.36
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.
4DQC_A_017A101_1
(ASPARTYL PROTEASE)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 10 ALA A 393
ASP A 389
GLY A 279
ILE A 509
ILE A 307
None
BMA  A 607 ( 2.9A)
None
None
None
0.93A 4dqcA-4pfwA:
undetectable
4dqcA-4pfwA:
10.99
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.
4DQE_B_017B101_1
(ASPARTYL PROTEASE)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 11 ALA A 393
ASP A 389
GLY A 279
ILE A 509
ILE A 307
None
BMA  A 607 ( 2.9A)
None
None
None
0.94A 4dqeA-4pfwA:
undetectable
4dqeA-4pfwA:
10.99
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.
4DQF_B_017B101_1
(ASPARTYL PROTEASE)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 12 ALA A 393
ASP A 389
GLY A 279
ILE A 509
ILE A 307
None
BMA  A 607 ( 2.9A)
None
None
None
0.94A 4dqfA-4pfwA:
undetectable
4dqfA-4pfwA:
10.99
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.
4DQH_B_017B101_1
(WILD-TYPE HIV-1
PROTEASE DIMER)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 11 ALA A 393
ASP A 389
GLY A 279
ILE A 509
ILE A 307
None
BMA  A 607 ( 2.9A)
None
None
None
0.94A 4dqhA-4pfwA:
undetectable
4dqhA-4pfwA:
11.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K39_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 12 GLU A  77
LEU A 103
VAL A 108
ILE A 162
LEU A 160
None
1.39A 4k39A-4pfwA:
undetectable
4k39A-4pfwA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJT_D_017D101_1
(PROTEASE)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 11 ALA A 393
ASP A 389
GLY A 279
ILE A 509
ILE A 307
None
BMA  A 607 ( 2.9A)
None
None
None
0.94A 4njtC-4pfwA:
undetectable
4njtC-4pfwA:
10.69
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.
4RP8_C_ASCC501_0
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 12 LEU A 401
ILE A 509
ILE A 406
ALA A 297
PHE A 294
None
1.19A 4rp8C-4pfwA:
undetectable
4rp8C-4pfwA:
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.
4UCI_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 12 GLY A 279
ASN A 432
LEU A 317
ALA A 315
ALA A 515
None
1.00A 4uciA-4pfwA:
undetectable
4uciA-4pfwA:
21.59
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.
4UCI_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 12 GLY A 279
ASN A 432
LEU A 317
ALA A 315
ALA A 515
None
1.01A 4uciB-4pfwA:
undetectable
4uciB-4pfwA:
21.59
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.
4UCK_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 12 GLY A 279
ASN A 432
LEU A 317
ALA A 315
ALA A 515
None
1.00A 4uckB-4pfwA:
undetectable
4uckB-4pfwA:
21.59
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.
4UCK_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 12 THR A 547
GLY A 540
SER A  33
LEU A  34
ALA A 542
None
None
None
None
BMA  A 605 ( 4.4A)
1.11A 4uckB-4pfwA:
undetectable
4uckB-4pfwA:
21.59
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.
4UHX_A_LZUA3008_1
(ALDEHYDE OXIDASE)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 8 ASP A  65
PRO A  73
TRP A  74
TRP A 208
None
1.20A 4uhxA-4pfwA:
undetectable
4uhxA-4pfwA:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YMG_A_SAMA1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 12 GLY A 463
TYR A 461
TYR A 419
SER A 457
GLU A 474
None
None
None
SO4  A 610 (-4.6A)
None
1.45A 4ymgA-4pfwA:
undetectable
4ymgA-4pfwA:
18.48
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.
4YV5_A_SVRA205_1
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 7 ASN A  25
TYR A 222
LEU A 553
PHE A 554
None
1.22A 4yv5A-4pfwA:
undetectable
4yv5A-4pfwA:
10.67
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.
5IY5_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 5 ARG A 296
LEU A 506
PHE A 508
LEU A 503
None
0.94A 5iy5P-4pfwA:
undetectable
5iy5W-4pfwA:
undetectable
5iy5P-4pfwA:
18.96
5iy5W-4pfwA:
7.09
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.
5M35_A_BEZA302_0
(14-3-3 PROTEIN
ZETA/DELTA)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 5 PHE A 412
THR A 388
MET A 391
GLN A 392
None
1.27A 5m35A-4pfwA:
undetectable
5m35A-4pfwA:
18.83
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.
5M54_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 12 HIS A 272
ALA A 515
SER A 275
THR A 388
GLY A  32
None
1.26A 5m54E-4pfwA:
undetectable
5m54E-4pfwA:
22.47
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.
5X1B_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
3 / 3 ARG A 296
PHE A 508
LEU A 503
None
0.84A 5x1bC-4pfwA:
undetectable
5x1bC-4pfwA:
19.14
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.
5X1B_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 5 ARG A 296
LEU A 506
PHE A 508
LEU A 503
None
0.96A 5x1bP-4pfwA:
undetectable
5x1bP-4pfwA:
19.14
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.
5X1F_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 5 ARG A 296
LEU A 506
PHE A 508
LEU A 503
None
0.87A 5x1fC-4pfwA:
undetectable
5x1fJ-4pfwA:
undetectable
5x1fC-4pfwA:
19.14
5x1fJ-4pfwA:
6.76
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.
5XDX_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 5 ARG A 296
LEU A 506
PHE A 508
LEU A 503
None
0.88A 5xdxC-4pfwA:
undetectable
5xdxJ-4pfwA:
undetectable
5xdxC-4pfwA:
18.96
5xdxJ-4pfwA:
6.76
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.
5XDX_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
4 / 5 ARG A 296
LEU A 506
PHE A 508
LEU A 503
None
0.92A 5xdxP-4pfwA:
undetectable
5xdxW-4pfwA:
undetectable
5xdxP-4pfwA:
18.96
5xdxW-4pfwA:
6.76
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.
5XIP_D_HFGD1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 12 LEU A 485
VAL A 491
PRO A 442
GLU A 155
THR A 462
None
None
None
None
MAN  A 602 ( 3.3A)
1.36A 5xipD-4pfwA:
undetectable
5xipD-4pfwA:
22.80
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.
5ZW4_A_SAMA302_0
(PUTATIVE
O-METHYLTRANSFERASE
YRRM)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
5 / 12 PRO A 161
ILE A 162
ASN A  42
ALA A 192
PHE A 202
None
1.08A 5zw4A-4pfwA:
undetectable
5zw4A-4pfwA:
16.79
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.
6NKN_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima)
3 / 3 ARG A 296
LEU A 506
PHE A 508
None
0.59A 6nknP-4pfwA:
undetectable
6nknP-4pfwA:
19.14