SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4jjj'

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.
1DY4_A_SNPA437_2
(EXOGLUCANASE 1)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 5 HIS A  32
TRP A 414
ALA A 504
TRP A 420
 CBI  A 701 ( 4.4A)
CBI  A 701 ( 3.9A)
None
None
 1.31A 1dy4A-4jjjA:
undetectable		 1dy4A-4jjjA:
20.80
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.
1JO4_A_DVAA6_0
(GRAMICIDIN C)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		3 / 3 ALA A 622
VAL A 501
TRP A 420
 None
 0.95A 1jo4A-4jjjA:
undetectable		 1jo4A-4jjjA:
2.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JO4_B_DVAB6_0
(GRAMICIDIN C)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		3 / 3 ALA A 622
VAL A 501
TRP A 420
 None
 0.95A 1jo4B-4jjjA:
undetectable		 1jo4B-4jjjA:
2.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KXH_A_ACRA598_2
(ALPHA-AMYLASE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		3 / 3 TRP A 365
TYR A 396
LEU A 296
 None
 0.91A 1kxhA-4jjjA:
undetectable		 1kxhA-4jjjA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NRM_A_DVAA6_0
(GRAMICIDIN A)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		3 / 3 ALA A 622
VAL A 501
TRP A 420
 None
 0.96A 1nrmA-4jjjA:
undetectable		 1nrmA-4jjjA:
2.74
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.
1NRM_B_DVAB6_0
(GRAMICIDIN A)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		3 / 3 ALA A 622
VAL A 501
TRP A 420
 None
 0.96A 1nrmB-4jjjA:
undetectable		 1nrmB-4jjjA:
2.74
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.
1QW6_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		3 / 3 ARG A 424
VAL A 232
TRP A  58
 None
 1.19A 1qw6A-4jjjA:
undetectable		 1qw6A-4jjjA:
21.79
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.
1R55_A_097A518_1
(ADAM 33)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		5 / 10 ALA A 503
THR A 502
VAL A 499
THR A 543
HIS A 535
 None
None
None
None
ZN  A 722 ( 3.2A)
 1.17A 1r55A-4jjjA:
undetectable		 1r55A-4jjjA:
14.87
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.
2AVS_B_MK1B902_3
(POL POLYPROTEIN)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		5 / 12 GLY A 460
ALA A 531
VAL A 499
ILE A 541
PRO A 544
 None
None
None
None
ZN  A 724 ( 4.3A)
 1.06A 2avsB-4jjjA:
undetectable		 2avsB-4jjjA:
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.
2HA4_B_ACHB603_0
(ACETYLCHOLINESTERASE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 7 TYR A 300
GLU A 108
TYR A 385
GLY A 383
 CE6  A 703 (-3.8A)
CE6  A 703 ( 4.5A)
None
None
 1.21A 2ha4B-4jjjA:
undetectable		 2ha4B-4jjjA:
23.26
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.
2HDN_F_TACF3888_1
(ELONGATION FACTOR
EF-TU)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 7 SER A 182
ASP A 408
VAL A  39
LEU A 604
 CA  A 704 ( 4.8A)
CA  A 704 (-3.3A)
None
None
 0.91A 2hdnE-4jjjA:
undetectable
2hdnF-4jjjA:
undetectable
2hdnH-4jjjA:
undetectable		 2hdnE-4jjjA:
4.61
2hdnF-4jjjA:
19.44
2hdnH-4jjjA:
19.44
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.
2HDN_H_TACH4888_1
(ELONGATION FACTOR
EF-TU)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 7 VAL A  39
LEU A 604
SER A 182
ASP A 408
 None
None
CA  A 704 ( 4.8A)
CA  A 704 (-3.3A)
 0.92A 2hdnF-4jjjA:
undetectable
2hdnG-4jjjA:
undetectable
2hdnH-4jjjA:
undetectable		 2hdnF-4jjjA:
19.44
2hdnG-4jjjA:
4.61
2hdnH-4jjjA:
19.44
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.
2JJ8_D_AZZD1211_1
(DEOXYNUCLEOSIDE
KINASE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		5 / 10 ILE A  38
GLU A 545
GLN A 623
VAL A 499
ALA A 542
 None
 1.45A 2jj8D-4jjjA:
undetectable		 2jj8D-4jjjA:
14.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PH9_A_GNTA301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 7 TYR A 105
GLN A 109
TYR A 115
ILE A 317
 None
None
None
CE6  A 703 (-4.8A)
 1.30A 2ph9A-4jjjA:
undetectable
2ph9B-4jjjA:
undetectable		 2ph9A-4jjjA:
16.64
2ph9B-4jjjA:
16.64
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.
3N62_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		3 / 3 GLY A 500
TRP A 420
VAL A 419
 None
 0.60A 3n62B-4jjjA:
undetectable		 3n62B-4jjjA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N65_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		3 / 3 GLY A 500
TRP A 420
VAL A 419
 None
 0.58A 3n65B-4jjjA:
undetectable		 3n65B-4jjjA:
22.31
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.
3N66_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		3 / 3 GLY A 500
TRP A 420
VAL A 419
 None
 0.61A 3n66B-4jjjA:
undetectable		 3n66B-4jjjA:
22.31
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.
3TWP_D_SALD404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 5 ASN A 221
ALA A 222
PRO A 223
ALA A 227
 None
CE6  A 703 ( 4.1A)
None
None
 1.30A 3twpD-4jjjA:
undetectable		 3twpD-4jjjA:
21.12
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.
4B3Q_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 7 LEU A 330
TYR A 511
TYR A 430
TYR A 333
 None
None
EDO  A 738 (-4.2A)
None
 1.12A 4b3qA-4jjjA:
undetectable		 4b3qA-4jjjA:
22.07
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.
4E7C_A_ACTA504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		3 / 3 ARG A 316
TRP A 315
GLY A 304
 None
CE6  A 703 (-3.6A)
None
 1.00A 4e7cA-4jjjA:
undetectable		 4e7cA-4jjjA:
20.98
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.
4JX1_E_CAME502_0
(CAMPHOR
5-MONOOXYGENASE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 5 TYR A 203
THR A 186
PHE A 207
ILE A 587
 None
 1.26A 4jx1E-4jjjA:
undetectable		 4jx1E-4jjjA:
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.
4K39_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		5 / 12 TYR A 265
GLN A  91
ASN A 141
ARG A 316
LEU A 263
 None
 1.41A 4k39A-4jjjA:
undetectable		 4k39A-4jjjA:
17.80
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 8 ASP A 308
SER A 306
ALA A  96
SER A  95
 None
 1.10A 4lv9A-4jjjA:
undetectable
4lv9B-4jjjA:
undetectable		 4lv9A-4jjjA:
21.89
4lv9B-4jjjA:
21.89
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 7 ASP A 308
SER A 306
ALA A  96
SER A  95
 None
 1.12A 4lv9A-4jjjA:
undetectable
4lv9B-4jjjA:
undetectable		 4lv9A-4jjjA:
21.89
4lv9B-4jjjA:
21.89
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.
4NJU_A_TPVA500_2
(PROTEASE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		5 / 10 LEU A 149
ALA A 170
PRO A 188
THR A 174
ILE A 172
 None
 1.04A 4njuB-4jjjA:
undetectable		 4njuB-4jjjA:
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.
4NJU_C_TPVC500_2
(PROTEASE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		5 / 10 LEU A 149
ALA A 170
PRO A 188
THR A 174
ILE A 172
 None
 1.03A 4njuD-4jjjA:
undetectable		 4njuD-4jjjA:
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.
4NKV_D_AERD601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 5 GLY A 517
ASP A 518
GLU A 526
VAL A 454
 None
None
ZN  A 718 ( 2.0A)
None
 1.16A 4nkvD-4jjjA:
undetectable		 4nkvD-4jjjA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PGF_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 6 THR A 174
THR A 186
HIS A  32
LEU A 149
 None
None
CBI  A 701 ( 4.4A)
None
 1.04A 4pgfA-4jjjA:
undetectable		 4pgfA-4jjjA:
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.
4PGF_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 6 THR A 452
THR A 543
HIS A 535
LEU A 528
 None
None
ZN  A 722 ( 3.2A)
None
 0.97A 4pgfA-4jjjA:
undetectable		 4pgfA-4jjjA:
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.
4RKU_A_PQNA5001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 8 PHE A 268
ARG A 316
ALA A 131
LEU A 130
 None
 0.99A 4rkuA-4jjjA:
undetectable
4rkuJ-4jjjA:
undetectable		 4rkuA-4jjjA:
23.14
4rkuJ-4jjjA:
5.01
Potential target for repurposing, i.e. matched protein structure has less than 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_1
(RNA-DIRECTED RNA
POLYMERASE L)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 6 GLY A 561
ASP A 408
ASP A 113
ASP A 554
 None
CA  A 704 (-3.3A)
None
CA  A 705 (-2.8A)
 0.82A 4uckB-4jjjA:
undetectable		 4uckB-4jjjA:
17.67
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.
4XI3_B_29SB601_2
(ESTROGEN RECEPTOR)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 5 GLU A  40
MET A  37
LEU A 596
HIS A 603
 CBK  A 702 ( 3.4A)
None
None
ZN  A 716 (-3.2A)
 1.30A 4xi3B-4jjjA:
undetectable		 4xi3B-4jjjA:
17.72
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.
4XK8_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 7 PHE A 268
ARG A 316
ALA A 131
LEU A 130
 None
 1.04A 4xk8A-4jjjA:
2.2		 4xk8A-4jjjA:
22.78
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.
4YPM_A_BO2A801_1
(LON PROTEASE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		6 / 12 ALA A 503
THR A 502
LEU A 532
THR A 543
ALA A 627
LYS A 507
 None
 1.37A 4ypmA-4jjjA:
undetectable		 4ypmA-4jjjA:
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.
5B8I_C_FK5C201_1
(SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 6 LEU A 604
SER A 548
PRO A 547
GLU A  40
 None
ZN  A 735 (-3.9A)
None
CBK  A 702 ( 3.4A)
 1.17A 5b8iA-4jjjA:
undetectable		 5b8iA-4jjjA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V5Z_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		3 / 3 GLY A 114
THR A 282
PRO A 107
 None
 0.66A 5v5zA-4jjjA:
undetectable		 5v5zA-4jjjA:
21.55
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.
5VUO_B_ACTB804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		3 / 3 GLY A 500
TRP A 420
VAL A 419
 None
 0.59A 5vuoB-4jjjA:
undetectable		 5vuoB-4jjjA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		5 / 12 GLY A 260
ALA A 256
LEU A 335
ALA A 332
LEU A 341
 None
 0.99A 6bq4A-4jjjA:
undetectable		 6bq4A-4jjjA:
7.98
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Thermobifida
fusca) 		4 / 6 ASP A 498
GLN A 623
VAL A 499
ALA A  41
 CBI  A 701 ( 3.1A)
None
None
CBI  A 701 ( 3.9A)
 1.15A 6djzB-4jjjA:
undetectable		 6djzB-4jjjA:
15.42