SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ics'

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.
1SG9_A_SAMA301_0
(HEMK PROTEIN)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		5 / 12 ILE A 382
THR A 395
VAL A 340
ASN A 346
PRO A 191
 None
 1.21A 1sg9A-3icsA:
3.6		 1sg9A-3icsA:
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.
1UWH_A_BAXA1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		4 / 6 VAL A 209
VAL A 217
ILE A 244
ILE A 123
 None
 0.69A 1uwhA-3icsA:
undetectable		 1uwhA-3icsA:
19.23
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.
1UWH_B_BAXB1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		4 / 6 VAL A 209
VAL A 217
ILE A 244
ILE A 123
 None
 0.69A 1uwhB-3icsA:
undetectable		 1uwhB-3icsA:
19.23
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.
2A3A_A_TEPA1434_1
(CHITINASE)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		3 / 3 TRP A 303
THR A 327
TYR A 324
 None
 1.18A 2a3aA-3icsA:
undetectable		 2a3aA-3icsA:
22.98
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.
2A3A_B_TEPB2434_1
(CHITINASE)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		3 / 3 TRP A 303
THR A 327
TYR A 324
 None
 1.19A 2a3aB-3icsA:
undetectable		 2a3aB-3icsA:
22.98
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.
2A3B_A_CFFA1434_1
(CHITINASE)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		3 / 3 TRP A 303
THR A 327
TYR A 324
 None
 1.16A 2a3bA-3icsA:
undetectable		 2a3bA-3icsA:
22.98
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_J_TACJ5888_1
(ELONGATION FACTOR
EF-TU)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		4 / 6 THR A 513
SER A 489
ASP A 474
VAL A 553
 None
 1.30A 2hdnI-3icsA:
undetectable
2hdnJ-3icsA:
undetectable
2hdnL-3icsA:
undetectable		 2hdnI-3icsA:
5.70
2hdnJ-3icsA:
21.15
2hdnL-3icsA:
21.15
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.
2M9Q_B_BEZB251_0
(SERINE PROTEASE
INHIBITOR
SERINE PROTEASE
SUBUNIT NS2B, SERINE
PROTEASE NS3)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		5 / 9 LEU A 112
ILE A 282
ILE A 286
VAL A 268
THR A 274
 None
 1.11A 2m9qA-3icsA:
undetectable		 2m9qA-3icsA:
18.63
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.
2OK6_D_BEZD2002_0
(AROMATIC AMINE
DEHYDROGENASE, LARGE
SUBUNIT
AROMATIC AMINE
DEHYDROGENASE, SMALL
SUBUNIT)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		5 / 9 LEU A 350
GLN A 394
GLY A 392
ASP A 290
ASN A 346
 None
 1.48A 2ok6B-3icsA:
0.7
2ok6D-3icsA:
0.0		 2ok6B-3icsA:
20.90
2ok6D-3icsA:
10.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OK6_H_BEZH2001_0
(AROMATIC AMINE
DEHYDROGENASE, LARGE
SUBUNIT
AROMATIC AMINE
DEHYDROGENASE, SMALL
SUBUNIT)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		5 / 10 LEU A 350
GLN A 394
GLY A 392
ASP A 290
ASN A 346
 None
 1.47A 2ok6A-3icsA:
undetectable
2ok6H-3icsA:
undetectable		 2ok6A-3icsA:
20.90
2ok6H-3icsA:
10.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		3 / 3 MET A 168
VAL A 200
GLU A 183
 None
 0.71A 2x9gA-3icsA:
6.4		 2x9gA-3icsA:
20.58
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.
3A50_A_VD3A2001_1
(VITAMIN D
HYDROXYLASE)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		5 / 12 TRP A 459
ILE A 382
ASN A 186
LEU A 350
ILE A 349
 None
 1.14A 3a50A-3icsA:
undetectable		 3a50A-3icsA:
22.04
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.
3ELZ_A_CHDA151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		4 / 7 ILE A 148
GLY A  51
VAL A 179
LEU A 135
 None
None
None
FAD  A 555 (-4.3A)
 0.93A 3elzA-3icsA:
undetectable		 3elzA-3icsA:
13.33
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.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		5 / 12 GLY A  10
ASN A 306
GLY A   9
SER A 113
ASP A 284
 None
COA  A 556 (-3.3A)
FAD  A 555 (-3.1A)
FAD  A 555 (-2.9A)
FAD  A 555 (-2.9A)
 1.06A 3huoB-3icsA:
undetectable		 3huoB-3icsA:
19.29
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.
3KPB_D_SAMD1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		5 / 10 ILE A 235
THR A 180
THR A 237
VAL A 227
ILE A 159
 None
 1.39A 3kpbD-3icsA:
undetectable		 3kpbD-3icsA:
13.38
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.
3NU4_B_478B401_1
(PROTEASE)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		5 / 9 ILE A 490
GLY A 470
PRO A 505
VAL A 504
ILE A 473
 None
 1.02A 3nu4A-3icsA:
undetectable		 3nu4A-3icsA:
10.09
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.
3UJ7_A_SAMA301_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		3 / 3 SER A  25
ASP A 314
ASP A 321
 None
 0.80A 3uj7A-3icsA:
3.6		 3uj7A-3icsA:
18.53
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		4 / 6 GLY A  14
GLY A  13
ASN A 306
ILE A 111
 None
FAD  A 555 (-3.5A)
COA  A 556 (-3.3A)
None
 0.94A 4fglD-3icsA:
undetectable		 4fglD-3icsA:
18.13
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		5 / 12 ALA A 285
TYR A 280
ILE A 316
HIS A 317
GLY A 318
 None
 1.37A 4l9qA-3icsA:
undetectable		 4l9qA-3icsA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MK4_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		4 / 8 PRO A 438
SER A 434
VAL A 401
GLY A 400
 None
 1.01A 4mk4A-3icsA:
3.4		 4mk4A-3icsA:
20.63
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.
4MWZ_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		5 / 12 GLY A 245
ILE A 159
ILE A 241
ARG A 136
LEU A 132
 None
None
None
FAD  A 555 (-4.2A)
None
 0.95A 4mwzA-3icsA:
2.5		 4mwzA-3icsA:
18.66
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.
4QZU_C_ACTC202_0
(RETINOL-BINDING
PROTEIN 2)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		4 / 6 GLU A 347
GLN A 458
TRP A 459
LEU A 543
 None
 0.85A 4qzuC-3icsA:
undetectable		 4qzuC-3icsA:
13.14
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.
5DZK_4_BEZ4801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		4 / 5 LEU A 110
ARG A   3
ILE A   5
ILE A 316
 None
 1.09A 5dzk4-3icsA:
undetectable
5dzkg-3icsA:
undetectable
5dzkm-3icsA:
undetectable
5dzkn-3icsA:
undetectable		 5dzk4-3icsA:
2.11
5dzkg-3icsA:
18.49
5dzkm-3icsA:
18.96
5dzkn-3icsA:
18.96
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.
5DZK_V_BEZV801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		4 / 4 ILE A   5
ILE A 316
ARG A   3
LEU A 110
 None
 1.25A 5dzkh-3icsA:
undetectable
5dzkn-3icsA:
undetectable
5dzkv-3icsA:
undetectable		 5dzkh-3icsA:
18.96
5dzkn-3icsA:
18.96
5dzkv-3icsA:
2.11
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.
5ERG_B_SAMB401_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		5 / 12 ILE A  54
VAL A  53
GLY A  45
VAL A 158
LEU A 172
 None
 1.11A 5ergB-3icsA:
2.9		 5ergB-3icsA:
20.00
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.
5JGL_B_SAMB301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		5 / 12 ALA A  12
GLY A  14
ALA A 302
LEU A 301
PRO A 300
 FAD  A 555 ( 3.2A)
None
FAD  A 555 ( 3.4A)
FAD  A 555 (-3.8A)
None
 1.36A 5jglB-3icsA:
3.1		 5jglB-3icsA:
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.
5O96_B_SAMB501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		5 / 9 LEU A 242
ILE A 159
GLY A 160
GLY A 165
LEU A 132
 None
 0.99A 5o96A-3icsA:
3.8
5o96B-3icsA:
3.3		 5o96A-3icsA:
19.10
5o96B-3icsA:
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.
5TWJ_B_SAMB201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		5 / 10 LEU A 242
ILE A 159
GLY A 160
GLY A 165
LEU A 132
 None
 1.07A 5twjB-3icsA:
undetectable		 5twjB-3icsA:
15.33
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.
5V0V_A_8QSA615_1
(SERUM ALBUMIN)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		4 / 8 LEU A 543
VAL A 537
LEU A 548
ILE A 486
 None
 0.92A 5v0vA-3icsA:
undetectable		 5v0vA-3icsA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_F_FFOF403_0
(THYMIDYLATE SYNTHASE)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		5 / 11 PHE A 541
LEU A 516
GLY A 517
ASN A 536
ALA A 364
 None
 1.22A 6r2eF-3icsA:
undetectable		 6r2eF-3icsA:
21.58
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.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		5 / 12 PHE A 541
LEU A 516
GLY A 517
ASN A 536
ALA A 364
 None
 1.22A 6r2eH-3icsA:
undetectable		 6r2eH-3icsA:
21.58