SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3qde'

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.
1D8C_A_SORA4000_0
(MALATE SYNTHASE G)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 GLN A 388
HIS A 456
PRO A 442
 None
 0.90A 1d8cA-3qdeA:
undetectable		 1d8cA-3qdeA:
22.86
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.
1MJQ_B_SAMB200_0
(METHIONINE REPRESSOR)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 11 PHE A 627
GLY A 643
ARG A 564
LEU A 485
LEU A 622
 None
 1.48A 1mjqA-3qdeA:
0.0
1mjqB-3qdeA:
undetectable		 1mjqA-3qdeA:
9.46
1mjqB-3qdeA:
9.46
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.
1MJQ_H_SAMH200_0
(METHIONINE REPRESSOR)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 10 PHE A 627
GLY A 643
ARG A 564
LEU A 485
LEU A 622
 None
 1.49A 1mjqG-3qdeA:
undetectable
1mjqH-3qdeA:
undetectable		 1mjqG-3qdeA:
9.46
1mjqH-3qdeA:
9.46
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.
1NW3_A_SAMA500_0
(HISTONE
METHYLTRANSFERASE
DOT1L)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLU A 550
ASP A 600
GLY A 597
ALA A 594
LEU A 607
 None
 1.31A 1nw3A-3qdeA:
undetectable		 1nw3A-3qdeA:
18.94
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.
1NW3_A_SAMA500_0
(HISTONE
METHYLTRANSFERASE
DOT1L)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLU A 550
ASP A 600
GLY A 597
LEU A 607
PHE A 562
 None
 1.16A 1nw3A-3qdeA:
undetectable		 1nw3A-3qdeA:
18.94
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.
1NW5_A_SAMA401_1
(MODIFICATION
METHYLASE RSRI)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 ASP A 415
HIS A 396
ASP A 361
 None
 0.82A 1nw5A-3qdeA:
undetectable		 1nw5A-3qdeA:
17.62
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.
1PCG_B_ESTB2_1
(ESTROGEN RECEPTOR)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 10 MET A 453
ALA A 425
LEU A 422
LEU A 418
LEU A 381
 None
 1.46A 1pcgB-3qdeA:
undetectable		 1pcgB-3qdeA:
14.72
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.
1R15_C_NCAC339_0
(ADP-RIBOSYL CYCLASE)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 GLU A 646
ASN A 482
TRP A 481
 144  A 813 (-3.5A)
144  A 813 ( 4.9A)
144  A 813 (-3.9A)
 1.07A 1r15C-3qdeA:
undetectable		 1r15C-3qdeA:
15.89
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.
1R15_D_NCAD349_0
(ADP-RIBOSYL CYCLASE)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 GLU A 646
ASN A 482
TRP A 481
 144  A 813 (-3.5A)
144  A 813 ( 4.9A)
144  A 813 (-3.9A)
 1.10A 1r15D-3qdeA:
undetectable		 1r15D-3qdeA:
15.89
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.
1R15_E_NCAE359_0
(ADP-RIBOSYL CYCLASE)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 GLU A 646
ASN A 482
TRP A 481
 144  A 813 (-3.5A)
144  A 813 ( 4.9A)
144  A 813 (-3.9A)
 1.09A 1r15E-3qdeA:
undetectable		 1r15E-3qdeA:
15.89
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.
1R15_F_NCAF369_0
(ADP-RIBOSYL CYCLASE)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 GLU A 646
ASN A 482
TRP A 481
 144  A 813 (-3.5A)
144  A 813 ( 4.9A)
144  A 813 (-3.9A)
 1.07A 1r15F-3qdeA:
undetectable		 1r15F-3qdeA:
15.89
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.
1RJD_B_SAMB802_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 6 ARG A 355
TYR A 697
ASN A 332
GLU A 350
 None
 1.32A 1rjdB-3qdeA:
undetectable		 1rjdB-3qdeA:
16.22
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.
1V55_P_CHDP4271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 LEU A 134
GLN A 255
LEU A 146
PHE A  72
 None
 1.05A 1v55P-3qdeA:
undetectable
1v55W-3qdeA:
undetectable		 1v55P-3qdeA:
15.31
1v55W-3qdeA:
4.98
Potential target for repurposing, i.e. matched protein structure has less than 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_C_CHDC310_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 LEU A 134
GLN A 255
LEU A 146
PHE A  72
 None
 1.00A 2dysC-3qdeA:
undetectable
2dysJ-3qdeA:
undetectable		 2dysC-3qdeA:
15.31
2dysJ-3qdeA:
4.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 6 LEU A 134
GLN A 255
LEU A 146
PHE A  72
 None
 1.11A 2einP-3qdeA:
undetectable
2einW-3qdeA:
undetectable		 2einP-3qdeA:
15.31
2einW-3qdeA:
4.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_F_TACF3888_1
(ELONGATION FACTOR
EF-TU)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 THR A 663
PRO A 746
VAL A 735
LEU A 324
 None
 1.04A 2hdnE-3qdeA:
undetectable
2hdnF-3qdeA:
undetectable
2hdnH-3qdeA:
undetectable		 2hdnE-3qdeA:
4.57
2hdnF-3qdeA:
17.14
2hdnH-3qdeA:
17.14
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.
2HDN_H_TACH4888_1
(ELONGATION FACTOR
EF-TU)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 VAL A 735
LEU A 324
THR A 663
PRO A 746
 None
 1.03A 2hdnF-3qdeA:
undetectable
2hdnG-3qdeA:
undetectable
2hdnH-3qdeA:
undetectable		 2hdnF-3qdeA:
17.14
2hdnG-3qdeA:
4.57
2hdnH-3qdeA:
17.14
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.
2PNJ_B_CHDB502_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 ILE A 744
PRO A 749
GLY A 754
TRP A 752
 None
 1.25A 2pnjB-3qdeA:
undetectable		 2pnjB-3qdeA:
18.00
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.
2QEI_A_CXXA802_1
(TRANSPORTER)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 6 ARG A 629
PHE A 627
ILE A 637
PHE A 584
 None
 1.26A 2qeiA-3qdeA:
0.7		 2qeiA-3qdeA:
21.21
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.
2RHM_B_BEZB194_0
(PUTATIVE KINASE)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 5 PRO A 240
ILE A 241
ARG A 209
ASP A 208
 None
 1.47A 2rhmB-3qdeA:
undetectable		 2rhmB-3qdeA:
13.13
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.
2V57_A_PRLA1188_0
(TETR FAMILY
TRANSCRIPTIONAL
REPRESSOR LFRR)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 8 SER A 511
ILE A 514
ASP A 415
ARG A 360
 None
None
None
144  A 813 ( 4.8A)
 0.80A 2v57A-3qdeA:
undetectable		 2v57A-3qdeA:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V57_C_PRLC1187_0
(TETR FAMILY
TRANSCRIPTIONAL
REPRESSOR LFRR)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 8 SER A 511
ILE A 514
ASP A 415
ARG A 360
 None
None
None
144  A 813 ( 4.8A)
 0.79A 2v57C-3qdeA:
undetectable		 2v57C-3qdeA:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y05_A_RALA802_1
(PROSTAGLANDIN
REDUCTASE 1)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 VAL A 225
ASN A 217
GLY A 218
VAL A  88
 None
 0.95A 2y05A-3qdeA:
undetectable
2y05B-3qdeA:
undetectable		 2y05A-3qdeA:
17.30
2y05B-3qdeA:
17.30
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.
3AG1_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 6 LEU A 134
GLN A 255
LEU A 146
PHE A  72
 None
 1.01A 3ag1C-3qdeA:
undetectable
3ag1J-3qdeA:
undetectable		 3ag1C-3qdeA:
15.31
3ag1J-3qdeA:
4.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BXO_A_SAMA238_0
(N,N-DIMETHYLTRANSFER
ASE)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A 559
SER A 575
SER A 609
TYR A 613
LEU A 614
 None
 0.85A 3bxoA-3qdeA:
2.0		 3bxoA-3qdeA:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FI0_E_TRPE1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 GLY A 779
ASP A 745
ILE A 744
VAL A 808
 None
 0.79A 3fi0E-3qdeA:
undetectable		 3fi0E-3qdeA:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FI0_G_TRPG1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 8 GLY A 779
ASP A 745
ILE A 744
VAL A 808
 None
 0.74A 3fi0G-3qdeA:
undetectable		 3fi0G-3qdeA:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HLW_B_CE3B304_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 5 ASN A 363
THR A 458
SER A 460
ARG A 459
 None
 1.30A 3hlwB-3qdeA:
undetectable		 3hlwB-3qdeA:
12.59
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.
3K4V_D_ROCD201_2
(HIV-1 PROTEASE)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 4 GLY A 779
ASP A 745
GLY A 792
THR A 784
 None
 0.99A 3k4vC-3qdeA:
undetectable		 3k4vC-3qdeA:
9.34
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.
3LSL_A_PZIA800_0
(GLUTAMATE RECEPTOR 2)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 TYR A 675
MET A 327
ASN A 325
LEU A 324
 None
 1.44A 3lslA-3qdeA:
undetectable
3lslD-3qdeA:
undetectable		 3lslA-3qdeA:
15.61
3lslD-3qdeA:
15.61
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.
3N3I_A_ROCA201_2
(PROTEASE)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 6 ILE A 783
ILE A 732
GLY A 734
VAL A 776
 None
 0.99A 3n3iA-3qdeA:
undetectable		 3n3iA-3qdeA:
14.31
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.
3TX2_A_BEZA251_0
(PROBABLE
6-PHOSPHOGLUCONOLACT
ONASE)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 ARG A  54
ALA A  50
MET A 342
ALA A 346
 None
 0.88A 3tx2A-3qdeA:
undetectable		 3tx2A-3qdeA:
16.49
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.
3VN2_A_TLSA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ILE A 428
TYR A 434
LEU A 437
LEU A 534
MET A 532
 None
 1.49A 3vn2A-3qdeA:
undetectable		 3vn2A-3qdeA:
17.22
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.
4DTA_B_ADNB401_1
(APH(2'')-ID)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 8 ILE A 794
LYS A 743
ILE A 744
ILE A 783
 None
 0.93A 4dtaB-3qdeA:
undetectable		 4dtaB-3qdeA:
17.14
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.
4G0V_D_MIXD101_1
(DNA TOPOISOMERASE
2-BETA)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 6 ARG A 360
GLY A 358
ASN A 406
GLN A 699
 144  A 813 ( 4.8A)
None
None
PO4  A 812 ( 3.7A)
 1.03A 4g0vB-3qdeA:
undetectable		 4g0vB-3qdeA:
22.46
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.
4G10_A_ACTA301_0
(GLUTATHIONE
S-TRANSFERASE
HOMOLOG)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 6 ILE A  25
TYR A  60
TYR A  44
TYR A  58
 None
 1.09A 4g10A-3qdeA:
1.6		 4g10A-3qdeA:
17.00
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.
4JEC_B_478B401_3
(HIV-1 PROTEASE)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 ASP A 524
LEU A 457
VAL A 464
 None
 0.71A 4jecB-3qdeA:
undetectable		 4jecB-3qdeA:
9.34
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.
4L9Q_A_9TPA601_2
(SERUM ALBUMIN)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 4 VAL A 117
GLU A 128
ASP A 298
LYS A 305
 None
 1.37A 4l9qA-3qdeA:
1.5		 4l9qA-3qdeA:
22.88
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.
4TZC_D_EF2D505_1
(PROTEIN CEREBLON)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 8 TYR A 755
THR A 769
HIS A 320
TRP A 752
 None
 1.34A 4tzcB-3qdeA:
undetectable
4tzcD-3qdeA:
undetectable		 4tzcB-3qdeA:
10.87
4tzcD-3qdeA:
10.87
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.
4WNW_B_RTZB602_2
(CYTOCHROME P450 2D6)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 GLU A 684
ILE A 330
ALA A 679
 None
 0.53A 4wnwB-3qdeA:
undetectable		 4wnwB-3qdeA:
21.10
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.
4XDQ_A_BEZA306_0
(GLYCOSIDE HYDROLASE
FAMILY PROTEIN)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 ARG A 110
ASP A  79
TRP A  81
 None
 1.10A 4xdqA-3qdeA:
undetectable		 4xdqA-3qdeA:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XV2_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 4 GLY A 171
VAL A 173
PHE A 212
ILE A 241
 None
 1.11A 4xv2B-3qdeA:
undetectable		 4xv2B-3qdeA:
16.46
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.
4XV2_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 4 GLY A 237
VAL A 173
PHE A 212
ILE A 241
 None
 1.14A 4xv2B-3qdeA:
undetectable		 4xv2B-3qdeA:
16.46
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.
4ZZC_A_ACTA401_0
(PROTON-GATED ION
CHANNEL)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 6 ILE A 213
PHE A 219
ILE A 241
GLU A 151
 None
 1.05A 4zzcA-3qdeA:
2.5
4zzcB-3qdeA:
2.5		 4zzcA-3qdeA:
16.06
4zzcB-3qdeA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZZC_B_ACTB401_0
(PROTON-GATED ION
CHANNEL)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 6 ILE A 213
PHE A 219
ILE A 241
GLU A 151
 None
 1.10A 4zzcB-3qdeA:
2.5
4zzcC-3qdeA:
2.5		 4zzcB-3qdeA:
16.06
4zzcC-3qdeA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5C0O_G_SAMG301_1
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 GLU A 510
HIS A 471
ASP A 567
 None
 0.82A 5c0oG-3qdeA:
undetectable		 5c0oG-3qdeA:
16.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NM5_B_LOCB502_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 4 ASN A 488
SER A 511
ALA A 509
VAL A 508
 None
 1.22A 5nm5A-3qdeA:
undetectable		 5nm5A-3qdeA:
18.28
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.
5U4S_A_BEZA301_0
(PUTATIVE SHORT CHAIN
DEHYDROGENASE)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 SER A 460
ILE A 421
LEU A 457
MET A 453
 None
 0.93A 5u4sA-3qdeA:
undetectable		 5u4sA-3qdeA:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YF9_B_NIOB401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 VAL A 259
VAL A 129
LYS A 131
ASP A 298
 None
 0.79A 5yf9B-3qdeA:
undetectable		 5yf9B-3qdeA:
8.46
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.
5YN6_A_SAMA401_0
(NSP16 PROTEIN)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A 112
PRO A  83
GLY A 108
ASN A 136
ASP A 140
 None
 1.36A 5yn6A-3qdeA:
undetectable		 5yn6A-3qdeA:
15.43
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.
5YNI_A_SAMA401_0
(NSP16 PROTEIN)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A 112
PRO A  83
GLY A 108
ASN A 136
ASP A 140
 None
 1.35A 5yniA-3qdeA:
undetectable		 5yniA-3qdeA:
15.43
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.
5Z84_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 LEU A 134
GLN A 255
LEU A 146
PHE A  72
 None
 0.90A 5z84C-3qdeA:
undetectable
5z84J-3qdeA:
undetectable		 5z84C-3qdeA:
15.31
5z84J-3qdeA:
4.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z85_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 LEU A 134
GLN A 255
LEU A 146
PHE A  72
 None
 0.89A 5z85C-3qdeA:
undetectable
5z85J-3qdeA:
undetectable		 5z85C-3qdeA:
15.31
5z85J-3qdeA:
4.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 LEU A 134
GLN A 255
LEU A 146
PHE A  72
 None
 0.85A 5zcoC-3qdeA:
undetectable
5zcoJ-3qdeA:
undetectable		 5zcoC-3qdeA:
15.31
5zcoJ-3qdeA:
4.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 LEU A 134
GLN A 255
LEU A 146
PHE A  72
 None
 0.86A 5zcqC-3qdeA:
undetectable
5zcqJ-3qdeA:
undetectable		 5zcqC-3qdeA:
15.31
5zcqJ-3qdeA:
4.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 LEU A 134
GLN A 255
LEU A 146
PHE A  72
 None
 0.88A 5zcqP-3qdeA:
undetectable
5zcqW-3qdeA:
undetectable		 5zcqP-3qdeA:
15.31
5zcqW-3qdeA:
4.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F6J_D_ACTD404_0
(L-LYSINE
3-HYDROXYLASE)		 3qde CELLOBIOSE
PHOSPHORYLASE
(Ruminiclostridiu
m
thermocellum) 		4 / 6 GLN A 335
GLU A 693
HIS A 690
ALA A 698
 None
 1.14A 6f6jC-3qdeA:
undetectable
6f6jD-3qdeA:
undetectable		 6f6jC-3qdeA:
17.12
6f6jD-3qdeA:
17.12