SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3jd8'

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.
1ETB_2_T442129_1
(TRANSTHYRETIN)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		4 / 6 LEU A 728
GLU A 688
THR A 759
ALA A 756
 None
 1.22A 1etb2-3jd8A:
undetectable		 1etb2-3jd8A:
6.90
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.
1ONI_D_BEZD507_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		4 / 7 PHE A 590
ALA A 449
ILE A 601
ILE A 563
 None
 0.94A 1oniD-3jd8A:
undetectable
1oniF-3jd8A:
undetectable		 1oniD-3jd8A:
8.18
1oniF-3jd8A:
8.18
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.
1SKX_A_RFPA1_2
(ORPHAN NUCLEAR
RECEPTOR PXR)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		4 / 5 PHE A 101
LEU A 173
MET A 156
LEU A 111
 None
 1.17A 1skxA-3jd8A:
1.0		 1skxA-3jd8A:
13.41
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.
1TMX_A_BEZA881_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		5 / 11 LEU A 547
GLY A 432
PRO A 434
HIS A 510
HIS A 418
 None
 1.33A 1tmxA-3jd8A:
undetectable		 1tmxA-3jd8A:
12.49
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.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		5 / 12 LEU A 547
GLY A 432
PRO A 434
HIS A 510
HIS A 418
 None
 1.22A 1tmxB-3jd8A:
undetectable		 1tmxB-3jd8A:
12.49
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.
2NNH_B_9CRB502_1
(CYTOCHROME P450 2C8)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		5 / 10 SER A 483
ILE A 563
ILE A 410
LEU A 446
ILE A 448
 None
 1.17A 2nnhB-3jd8A:
undetectable		 2nnhB-3jd8A:
17.17
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.
2X91_A_LPRA1615_2
(ANGIOTENSIN
CONVERTING ENZYME)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		3 / 3 SER A 491
THR A 536
PHE A 565
 None
NAG  A1312 ( 4.3A)
None
 0.76A 2x91A-3jd8A:
2.7		 2x91A-3jd8A:
18.33
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.
3AG2_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		4 / 7 LEU A  87
GLN A  88
PHE A 101
LEU A 105
 None
NAG  A1305 (-2.9A)
None
None
 0.96A 3ag2C-3jd8A:
3.5		 3ag2C-3jd8A:
10.18
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.
3AG2_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		4 / 7 LEU A  87
GLN A  88
PHE A 101
LEU A 105
 None
NAG  A1305 (-2.9A)
None
None
 0.97A 3ag2P-3jd8A:
3.5
3ag2W-3jd8A:
undetectable		 3ag2P-3jd8A:
10.18
3ag2W-3jd8A:
4.75
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.
3AG4_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		4 / 8 LEU A  87
GLN A  88
PHE A 101
LEU A 105
 None
NAG  A1305 (-2.9A)
None
None
 0.94A 3ag4C-3jd8A:
3.6
3ag4J-3jd8A:
undetectable		 3ag4C-3jd8A:
10.18
3ag4J-3jd8A:
4.75
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.
3AG4_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		4 / 7 LEU A  87
GLN A  88
PHE A 101
LEU A 105
 None
NAG  A1305 (-2.9A)
None
None
 0.94A 3ag4P-3jd8A:
3.4
3ag4W-3jd8A:
undetectable		 3ag4P-3jd8A:
10.18
3ag4W-3jd8A:
4.75
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.
3ASN_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		4 / 7 LEU A  87
GLN A  88
PHE A 101
LEU A 105
 None
NAG  A1305 (-2.9A)
None
None
 0.96A 3asnC-3jd8A:
3.6
3asnJ-3jd8A:
undetectable		 3asnC-3jd8A:
10.18
3asnJ-3jd8A:
4.75
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.
3BJW_F_SVRF509_2
(PHOSPHOLIPASE A2)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		4 / 8 ASN A 198
LYS A 196
PRO A 207
PHE A 209
 CLR  A1325 ( 3.9A)
None
None
None
 1.42A 3bjwD-3jd8A:
undetectable		 3bjwD-3jd8A:
7.25
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.
3BWC_B_SAMB501_1
(SPERMIDINE SYNTHASE)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		4 / 5 GLN A 438
GLN A 442
ASP A 496
ASP A 508
 None
NAG  A1310 ( 3.9A)
None
None
 1.40A 3bwcB-3jd8A:
undetectable		 3bwcB-3jd8A:
12.74
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.
3VN2_A_TLSA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		5 / 12 ILE A 437
TYR A 509
LEU A 440
LEU A 547
HIS A 510
 None
 1.29A 3vn2A-3jd8A:
undetectable		 3vn2A-3jd8A:
11.29
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.
3X2Q_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		4 / 7 LEU A  87
GLN A  88
PHE A 101
LEU A 105
 None
NAG  A1305 (-2.9A)
None
None
 0.95A 3x2qC-3jd8A:
3.6
3x2qJ-3jd8A:
undetectable		 3x2qC-3jd8A:
10.18
3x2qJ-3jd8A:
4.75
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.
4EQ4_A_SALA601_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		4 / 7 LEU A1191
THR A1172
ILE A1126
GLY A1240
 None
 0.89A 4eq4A-3jd8A:
1.3		 4eq4A-3jd8A:
18.10
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.
4EQL_B_SALB602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		4 / 7 LEU A1191
THR A1172
ILE A1126
GLY A1240
 None
 0.93A 4eqlB-3jd8A:
undetectable		 4eqlB-3jd8A:
18.10
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.
4QZT_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 2)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		5 / 12 ILE A 481
TYR A 487
VAL A 517
LEU A 435
LEU A 561
 None
 1.20A 4qztA-3jd8A:
undetectable		 4qztA-3jd8A:
7.94
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.
4X61_A_SAMA701_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		5 / 12 LEU A 469
GLY A 539
GLY A 535
PRO A 532
LEU A 472
 None
 1.24A 4x61A-3jd8A:
undetectable		 4x61A-3jd8A:
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.
5B3S_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		4 / 7 LEU A  87
GLN A  88
PHE A 101
LEU A 105
 None
NAG  A1305 (-2.9A)
None
None
 0.99A 5b3sC-3jd8A:
3.5
5b3sJ-3jd8A:
undetectable		 5b3sC-3jd8A:
10.18
5b3sJ-3jd8A:
4.75
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.
5V1T_A_SAMA605_0
(RADICAL SAM)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		5 / 12 PHE A 513
LEU A 547
ASN A 557
VAL A 429
THR A 511
 None
None
NAG  A1306 (-2.8A)
None
None
 1.45A 5v1tA-3jd8A:
undetectable		 5v1tA-3jd8A:
15.32
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.
6HU9_C_PCFC607_0
(CYTOCHROME B)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		5 / 10 PHE A1038
ALA A 885
TYR A1081
PHE A 395
PHE A 402
 None
 1.43A 6hu9C-3jd8A:
3.7		 6hu9C-3jd8A:
15.07
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.
6JI6_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		4 / 5 GLY A 725
LEU A 728
SER A1169
GLN A 723
 None
 0.99A 6ji6A-3jd8A:
undetectable		 6ji6A-3jd8A:
9.36
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.
6NKN_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3jd8 NIEMANN-PICK C1
PROTEIN
(Homo
sapiens) 		3 / 3 ARG A1059
LEU A1055
PHE A1051
 None
 0.69A 6nknP-3jd8A:
3.6		 6nknP-3jd8A:
10.18