SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4kf7'

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.
1DRA_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 12 ALA A 493
LEU A 533
ILE A 417
LEU A 360
ILE A 396
 None
 1.07A 1draB-4kf7A:
undetectable		 1draB-4kf7A:
8.52
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.
1EKJ_C_ACTC3004_0
(BETA-CARBONIC
ANHYDRASE)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 6 TYR A 736
ASP A 731
VAL A 723
GLY A 728
 None
 1.13A 1ekjC-4kf7A:
undetectable
1ekjD-4kf7A:
undetectable		 1ekjC-4kf7A:
10.95
1ekjD-4kf7A:
10.95
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.
1EKJ_C_ACTC3007_0
(BETA-CARBONIC
ANHYDRASE)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 6 ASP A 731
VAL A 723
GLY A 728
TYR A 736
 None
 1.13A 1ekjC-4kf7A:
undetectable
1ekjD-4kf7A:
undetectable		 1ekjC-4kf7A:
10.95
1ekjD-4kf7A:
10.95
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.
1FO4_B_SALB4005_1
(XANTHINE
DEHYDROGENASE)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 7 SER A 615
THR A 751
VAL A 752
ALA A 608
 None
 1.08A 1fo4B-4kf7A:
2.6		 1fo4B-4kf7A:
23.11
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.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 11 PHE A 530
ALA A 526
LEU A 522
ILE A1014
ALA A 517
 None
 1.03A 1ha2A-4kf7A:
undetectable		 1ha2A-4kf7A:
19.92
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.
1HK1_A_T44A3003_1
(SERUM ALBUMIN)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 6 HIS A 338
ILE A 341
ALA A 290
VAL A 334
 None
 0.98A 1hk1A-4kf7A:
1.0		 1hk1A-4kf7A:
19.92
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.
1IIU_A_RTLA176_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 11 LEU A 206
LEU A 211
ALA A 309
LEU A 251
ARG A 519
 None
 1.33A 1iiuA-4kf7A:
undetectable		 1iiuA-4kf7A:
8.91
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.
1MJ2_C_SAMC1200_0
(PROTEIN (METHIONINE
REPRESSOR))		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 9 GLU A1124
ARG A1121
ARG A1072
LEU A1115
ALA A1113
 None
 1.50A 1mj2C-4kf7A:
undetectable		 1mj2C-4kf7A:
5.97
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.
1WRL_C_TFPC208_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 5 PHE A 604
LEU A 721
PHE A 600
SER A 712
 None
 0.81A 1wrlC-4kf7A:
undetectable		 1wrlC-4kf7A:
5.78
Potential target for repurposing, i.e. matched protein structure has less than 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_E_TFPE212_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 7 PHE A 604
LEU A 721
PHE A 600
SER A 712
 None
 1.03A 1wrlE-4kf7A:
undetectable		 1wrlE-4kf7A:
5.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Y0X_X_T44X500_2
(THYROID HORMONE
RECEPTOR BETA-1)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 5 ILE A1061
SER A1023
ARG A1025
LEU A1030
 None
 1.14A 1y0xX-4kf7A:
undetectable		 1y0xX-4kf7A:
13.51
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.
1YA3_B_STRB2001_2
(MINERALOCORTICOID
RECEPTOR)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		3 / 3 LEU A 552
LEU A 534
MET A 582
 None
 0.72A 1ya3B-4kf7A:
undetectable		 1ya3B-4kf7A:
12.79
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.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 4 LEU A 588
PRO A 409
ILE A 554
LEU A 551
 None
 1.03A 1ya4B-4kf7A:
undetectable		 1ya4B-4kf7A:
19.50
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.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 4 LEU A 588
PRO A 409
ILE A 554
LEU A 551
 None
 1.05A 1ya4C-4kf7A:
1.5		 1ya4C-4kf7A:
19.50
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.
2CDQ_B_SAMB1500_0
(ASPARTOKINASE)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 7 SER A 624
ASP A 621
ARG A 767
GLU A 756
 None
 0.96A 2cdqB-4kf7A:
undetectable		 2cdqB-4kf7A:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2J2P_E_SC2E1289_1
(FICOLIN-2)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 6 ASP A 857
ARG A 862
THR A 809
ASP A 803
 None
 1.27A 2j2pE-4kf7A:
undetectable
2j2pF-4kf7A:
undetectable		 2j2pE-4kf7A:
11.65
2j2pF-4kf7A:
11.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OAX_F_SNLF6001_2
(MINERALOCORTICOID
RECEPTOR)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 5 LEU A 555
LEU A 551
LEU A 533
MET A 582
 None
 1.01A 2oaxF-4kf7A:
undetectable		 2oaxF-4kf7A:
12.75
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.
2QMM_B_SAMB301_0
(UPF0217 PROTEIN
AF_1056)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 11 SER A 609
LEU A 742
ILE A 746
SER A 738
LEU A 737
 None
 0.95A 2qmmA-4kf7A:
undetectable
2qmmB-4kf7A:
undetectable		 2qmmA-4kf7A:
10.64
2qmmB-4kf7A:
10.64
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.
2XZ5_D_ACHD1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 8 GLN A1016
ASP A 204
TYR A1015
SER A 299
 None
 1.13A 2xz5C-4kf7A:
undetectable
2xz5D-4kf7A:
undetectable		 2xz5C-4kf7A:
11.14
2xz5D-4kf7A:
11.14
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.
2ZBZ_A_VDXA501_1
(CYTOCHROME P450-SU1)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 11 THR A 365
VAL A 318
LEU A 305
ILE A 355
ALA A 413
 None
 1.24A 2zbzA-4kf7A:
undetectable		 2zbzA-4kf7A:
17.20
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.
3DRC_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 12 ALA A 493
LEU A 533
ILE A 417
LEU A 360
ILE A 396
 None
 1.07A 3drcB-4kf7A:
undetectable		 3drcB-4kf7A:
9.04
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.
3E00_A_9CRA7223_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 12 ALA A 822
ALA A 821
VAL A 915
ILE A 840
CYH A 837
 None
 0.96A 3e00A-4kf7A:
undetectable		 3e00A-4kf7A:
18.40
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.
3FAL_A_REAA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 10 ALA A 822
ALA A 821
VAL A 915
ILE A 840
CYH A 837
 None
 1.04A 3falA-4kf7A:
undetectable		 3falA-4kf7A:
12.71
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.
3I5U_A_SAMA401_1
(O-METHYLTRANSFERASE)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 4 ASP A  39
SER A  43
PHE A1119
SER A1070
 None
 1.23A 3i5uA-4kf7A:
1.1		 3i5uA-4kf7A:
16.21
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.
3KP6_A_SALA3005_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 8 ALA A 129
SER A 131
HIS A 132
ARG A 187
 None
 0.98A 3kp6A-4kf7A:
1.6		 3kp6A-4kf7A:
9.33
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.
3OGP_B_017B200_1
(FIV PROTEASE)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 10 ALA A1066
ILE A1076
SER A1105
VAL A1104
LEU A 133
 None
 0.94A 3ogpA-4kf7A:
undetectable		 3ogpA-4kf7A:
6.96
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.
3OZV_B_ECNB411_1
(FLAVOHEMOGLOBIN)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 9 ILE A 256
GLN A 320
ALA A 323
LEU A 324
ALA A 297
 None
 1.04A 3ozvB-4kf7A:
undetectable		 3ozvB-4kf7A:
16.12
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.
3QEL_D_QELD2_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
EPSILON-2)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 5 TYR A 602
THR A 639
PHE A 600
ARG A 720
 None
 1.35A 3qelC-4kf7A:
undetectable		 3qelC-4kf7A:
16.88
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.
3QXV_E_MTXE2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 12 ALA A1075
ARG A1072
SER A1070
VAL A1029
ALA A1006
 None
 1.24A 3qxvE-4kf7A:
undetectable		 3qxvE-4kf7A:
8.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROZ_A_NCAA266_0
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 6 LEU A 721
ALA A 811
LEU A 796
THR A 792
 None
 0.96A 3rozA-4kf7A:
undetectable		 3rozA-4kf7A:
13.34
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.
3V81_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 8 LEU A 707
VAL A 698
TRP A 646
LEU A 664
 None
 0.91A 3v81A-4kf7A:
undetectable		 3v81A-4kf7A:
17.97
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.
4A7T_A_5FWA1001_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		 4kf7 NUP188
(Thermothelomyces
thermophila) 		3 / 3 ASP A 101
LYS A 100
ASP A 102
 None
 0.74A 4a7tA-4kf7A:
undetectable		 4a7tA-4kf7A:
8.88
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.
4DFR_B_MTXB162_1
(DIHYDROFOLATE
REDUCTASE)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 12 ALA A 493
LEU A 533
ILE A 417
LEU A 360
ILE A 396
 None
 1.06A 4dfrB-4kf7A:
undetectable		 4dfrB-4kf7A:
8.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1G_B_LNLB701_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 7 TYR A   9
VAL A  55
LEU A  58
VAL A 203
 None
 1.03A 4e1gB-4kf7A:
2.1		 4e1gB-4kf7A:
19.83
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 8 SER A 512
SER A 559
TYR A 579
ILE A 613
 None
 1.19A 4ms4A-4kf7A:
undetectable		 4ms4A-4kf7A:
16.55
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.
4NX6_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 12 ALA A 493
LEU A 533
ILE A 417
LEU A 360
ILE A 396
 None
 1.10A 4nx6A-4kf7A:
undetectable		 4nx6A-4kf7A:
9.04
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.
4NX7_A_FOLA202_0
(DIHYDROFOLATE
REDUCTASE)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 12 ALA A 493
LEU A 533
ILE A 417
LEU A 360
ILE A 396
 None
 1.07A 4nx7A-4kf7A:
undetectable		 4nx7A-4kf7A:
9.04
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.
4QZT_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 2)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		3 / 3 PHE A 234
THR A  63
LEU A 300
 None
 0.73A 4qztA-4kf7A:
undetectable		 4qztA-4kf7A:
8.69
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.
4QZU_C_ACTC202_0
(RETINOL-BINDING
PROTEIN 2)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 6 TYR A 863
GLN A 560
TRP A 562
LEU A 867
 None
 1.26A 4qzuC-4kf7A:
undetectable		 4qzuC-4kf7A:
8.69
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.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 5 LEU A 819
ALA A 869
VAL A 915
ILE A 919
 None
 0.88A 4xe3B-4kf7A:
undetectable		 4xe3B-4kf7A:
17.87
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.
4XQE_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 6 ARG A 185
ARG A 108
ARG A 104
ASP A 101
 None
 1.33A 4xqeB-4kf7A:
undetectable		 4xqeB-4kf7A:
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.
5BS8_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 7 ASP A 764
ARG A 767
GLY A 768
THR A 629
GLU A 756
 None
 1.11A 5bs8A-4kf7A:
undetectable
5bs8C-4kf7A:
undetectable
5bs8D-4kf7A:
undetectable		 5bs8A-4kf7A:
18.93
5bs8C-4kf7A:
18.93
5bs8D-4kf7A:
13.57
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.
5BTA_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 7 ASP A 764
ARG A 767
GLY A 768
THR A 629
GLU A 756
 None
 1.13A 5btaA-4kf7A:
undetectable
5btaC-4kf7A:
undetectable
5btaD-4kf7A:
undetectable		 5btaA-4kf7A:
18.89
5btaC-4kf7A:
18.89
5btaD-4kf7A:
13.57
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 7 ASP A 764
ARG A 767
GLY A 768
GLU A 756
 None
 1.02A 5btdA-4kf7A:
undetectable
5btdC-4kf7A:
undetectable
5btdD-4kf7A:
undetectable		 5btdA-4kf7A:
18.93
5btdC-4kf7A:
18.93
5btdD-4kf7A:
13.57
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 7 ASP A 764
GLY A 768
THR A 629
GLU A 756
 None
 0.90A 5btfA-4kf7A:
undetectable
5btfB-4kf7A:
undetectable
5btfC-4kf7A:
undetectable		 5btfA-4kf7A:
18.89
5btfB-4kf7A:
13.57
5btfC-4kf7A:
18.89
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 7 ASP A 764
ARG A 767
GLY A 768
GLU A 756
 None
 1.04A 5btfA-4kf7A:
undetectable
5btfC-4kf7A:
undetectable
5btfD-4kf7A:
undetectable		 5btfA-4kf7A:
18.89
5btfC-4kf7A:
18.89
5btfD-4kf7A:
13.57
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.
5BTG_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 7 ASP A 764
ARG A 767
GLY A 768
THR A 629
GLU A 756
 None
 1.27A 5btgA-4kf7A:
undetectable
5btgC-4kf7A:
undetectable
5btgD-4kf7A:
undetectable		 5btgA-4kf7A:
18.93
5btgC-4kf7A:
18.93
5btgD-4kf7A:
13.57
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.
5BTI_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 5 ARG A 767
GLY A 768
THR A 629
GLU A 756
 None
 1.18A 5btiC-4kf7A:
undetectable
5btiD-4kf7A:
undetectable		 5btiC-4kf7A:
18.89
5btiD-4kf7A:
13.57
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.
5ECL_A_ILEA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 6 ALA A 493
THR A 494
VAL A 499
TYR A 500
 None
 0.75A 5eclA-4kf7A:
undetectable		 5eclA-4kf7A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ECM_D_LEUD602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 7 ALA A 493
THR A 494
VAL A 499
TYR A 500
 None
 0.68A 5ecmD-4kf7A:
undetectable		 5ecmD-4kf7A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ECO_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 6 ALA A 493
THR A 494
VAL A 499
TYR A 500
 None
 0.65A 5ecoA-4kf7A:
undetectable		 5ecoA-4kf7A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ECO_D_LEUD602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 7 ALA A 493
THR A 494
VAL A 499
TYR A 500
 None
 0.68A 5ecoD-4kf7A:
undetectable		 5ecoD-4kf7A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GSN_A_MMZA503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		3 / 3 ASN A 622
SER A 625
SER A 624
 None
 0.78A 5gsnA-4kf7A:
undetectable		 5gsnA-4kf7A:
17.93
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.
5GTR_A_ESTA601_2
(ESTROGEN RECEPTOR)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		4 / 5 LEU A1000
LEU A1030
PHE A 996
LEU A1054
 None
 1.05A 5gtrA-4kf7A:
undetectable		 5gtrA-4kf7A:
12.50
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.
5NWW_A_ACAA18_1
(SCRFP-TAG,GP41)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 12 GLY A 150
LYS A1056
ASN A 144
LEU A 137
LEU A 162
 None
 1.22A 5nwwA-4kf7A:
undetectable		 5nwwA-4kf7A:
2.67
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.
5X23_A_LSNA502_1
(CYTOCHROME P450 2C9)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 12 ALA A 240
GLY A 232
ALA A 233
LEU A 207
LEU A 248
 None
 1.11A 5x23A-4kf7A:
undetectable		 5x23A-4kf7A:
18.07
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.
5XXI_A_LSNA501_1
(CYTOCHROME P450 2C9)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 12 ALA A 240
GLY A 232
ALA A 233
LEU A 207
LEU A 248
 None
 1.09A 5xxiA-4kf7A:
undetectable		 5xxiA-4kf7A:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYC_A_1YNA502_1
(PROTEIN CYP51)		 4kf7 NUP188
(Thermothelomyces
thermophila) 		5 / 12 PHE A 302
ALA A 526
ALA A 486
ALA A 490
THR A 494
 None
 1.33A 6aycA-4kf7A:
undetectable		 6aycA-4kf7A:
4.74