SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3r1j'

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.
1BU5_A_RBFA301_1
(PROTEIN (FLAVODOXIN))		 3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycobacterium
avium) 		4 / 7 THR A 228
THR A 100
GLY A 202
ASP A 203
 None
 0.91A 1bu5A-3r1jA:
undetectable		 1bu5A-3r1jA:
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.
1BU5_B_RBFB302_1
(PROTEIN (FLAVODOXIN))		 3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycobacterium
avium) 		4 / 8 THR A 228
THR A 100
GLY A 202
ASP A 203
 None
 0.89A 1bu5B-3r1jA:
undetectable		 1bu5B-3r1jA:
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.
1R15_C_NCAC339_0
(ADP-RIBOSYL CYCLASE)		 3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycobacterium
avium) 		3 / 3 GLU A 282
ASN A 278
TRP A 150
 None
 1.25A 1r15C-3r1jA:
undetectable		 1r15C-3r1jA:
21.91
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.
1R15_D_NCAD349_0
(ADP-RIBOSYL CYCLASE)		 3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycobacterium
avium) 		3 / 3 GLU A 282
ASN A 278
TRP A 150
 None
 1.21A 1r15D-3r1jA:
undetectable		 1r15D-3r1jA:
21.91
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.
1R15_E_NCAE359_0
(ADP-RIBOSYL CYCLASE)		 3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycobacterium
avium) 		3 / 3 GLU A 282
ASN A 278
TRP A 150
 None
 1.23A 1r15E-3r1jA:
undetectable		 1r15E-3r1jA:
21.91
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.
1R15_F_NCAF369_0
(ADP-RIBOSYL CYCLASE)		 3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycobacterium
avium) 		3 / 3 GLU A 282
ASN A 278
TRP A 150
 None
 1.18A 1r15F-3r1jA:
undetectable		 1r15F-3r1jA:
21.91
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.
3EIG_A_MTXA200_2
(DIHYDROFOLATE
REDUCTASE)		 3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycobacterium
avium) 		4 / 5 ARG A 268
ILE A 269
VAL A 243
THR A 126
 None
 1.20A 3eigA-3r1jA:
undetectable		 3eigA-3r1jA:
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.
3GWU_A_SREA801_1
(TRANSPORTER)		 3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycobacterium
avium) 		5 / 12 LEU A 145
LEU A 149
ALA A 151
PHE A 208
THR A 131
 None
 1.07A 3gwuA-3r1jA:
undetectable		 3gwuA-3r1jA:
19.39
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.
3MBG_B_ACTB600_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycobacterium
avium) 		4 / 5 ARG A 268
HIS A 253
ALA A  95
HIS A  99
 None
FE  A 299 (-3.3A)
None
FE  A 299 (-3.3A)
 1.28A 3mbgB-3r1jA:
undetectable
3mbgC-3r1jA:
undetectable		 3mbgB-3r1jA:
17.59
3mbgC-3r1jA:
17.59
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.
3MBG_C_ACTC600_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycobacterium
avium) 		4 / 5 HIS A  99
ARG A 268
HIS A 253
ALA A  95
 FE  A 299 (-3.3A)
None
FE  A 299 (-3.3A)
None
 1.27A 3mbgB-3r1jA:
undetectable
3mbgC-3r1jA:
undetectable		 3mbgB-3r1jA:
17.59
3mbgC-3r1jA:
17.59
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.
3QX3_A_EVPA1_1
(DNA TOPOISOMERASE
2-BETA)		 3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycobacterium
avium) 		4 / 5 GLY A  25
ASP A  26
ARG A  22
GLN A  34
 None
 1.44A 3qx3A-3r1jA:
undetectable		 3qx3A-3r1jA:
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.
3RUK_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycobacterium
avium) 		5 / 12 ALA A 244
PHE A  46
LEU A  10
THR A 251
VAL A 234
 None
 1.05A 3rukA-3r1jA:
undetectable		 3rukA-3r1jA:
19.07
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.
3SPK_B_TPVB100_1
(HIV-1 PROTEASE)		 3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycobacterium
avium) 		5 / 9 LEU A  40
ALA A 111
GLY A 273
PRO A 192
THR A 194
 None
EDO  A 298 ( 3.9A)
None
None
None
 1.30A 3spkA-3r1jA:
undetectable		 3spkA-3r1jA:
15.82
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.
4LAJ_B_ACAB512_1
(HIV-1 YU2 GP120
ENVELOPE
GLYCOPROTEIN)		 3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycobacterium
avium) 		4 / 6 ARG A 283
GLY A 281
PRO A 186
HIS A 185
 None
 1.23A 4lajA-3r1jA:
undetectable
4lajB-3r1jA:
undetectable		 4lajA-3r1jA:
21.25
4lajB-3r1jA:
21.25
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.
4QYQ_A_3CJA607_1
(LACTOPEROXIDASE)		 3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycobacterium
avium) 		3 / 3 GLN A  50
HIS A  52
ARG A  22
 None
 0.97A 4qyqA-3r1jA:
undetectable		 4qyqA-3r1jA:
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.
4QYQ_B_3CJB607_1
(LACTOPEROXIDASE)		 3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycobacterium
avium) 		3 / 3 GLN A  50
HIS A  52
ARG A  22
 None
 0.94A 4qyqB-3r1jA:
undetectable		 4qyqB-3r1jA:
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.
5UUN_A_ACTA310_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycobacterium
avium) 		3 / 3 GLU A 196
HIS A 191
ARG A 189
 None
 0.86A 5uunA-3r1jA:
undetectable		 5uunA-3r1jA:
21.91
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.
6DCH_A_ACTA401_0
(SCOE PROTEIN)		 3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycobacterium
avium) 		4 / 5 HIS A  99
ASP A 101
HIS A 253
ARG A 268
 FE  A 299 (-3.3A)
FE  A 299 (-2.5A)
FE  A 299 (-3.3A)
None
 0.95A 6dchA-3r1jA:
24.4		 6dchA-3r1jA:
28.31
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.
6HU9_S_PCFS603_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		 3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycobacterium
avium) 		4 / 7 GLN A 224
GLY A 202
HIS A  99
VAL A 102
 None
None
FE  A 299 (-3.3A)
None
 0.89A 6hu9S-3r1jA:
undetectable
6hu9q-3r1jA:
undetectable		 6hu9S-3r1jA:
12.72
6hu9q-3r1jA:
18.37