SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3pk1'

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.
2DU8_B_BEZB1352_0
(D-AMINO-ACID OXIDASE)		 3pk1 INDUCED MYELOID
LEUKEMIA CELL
DIFFERENTIATION
PROTEIN MCL-1
(Homo
sapiens) 		4 / 6 LEU A 186
TYR A 185
ILE A 294
GLY A 217
 None
 0.89A 2du8B-3pk1A:
undetectable		 2du8B-3pk1A:
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.
2XKW_B_P1BB1475_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3pk1 INDUCED MYELOID
LEUKEMIA CELL
DIFFERENTIATION
PROTEIN MCL-1
(Homo
sapiens) 		5 / 12 PHE A 254
SER A 269
ALA A 272
LEU A 213
ILE A 264
 None
 1.33A 2xkwB-3pk1A:
undetectable		 2xkwB-3pk1A:
22.55
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.
2YDO_A_ADNA400_1
(ADENOSINE RECEPTOR
A2A)		 3pk1 INDUCED MYELOID
LEUKEMIA CELL
DIFFERENTIATION
PROTEIN MCL-1
(Homo
sapiens) 		5 / 12 LEU A 235
PHE A 270
LEU A 290
ILE A 294
SER A 293
 None
 1.30A 2ydoA-3pk1A:
undetectable		 2ydoA-3pk1A:
17.79
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.
4CX7_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 3pk1 INDUCED MYELOID
LEUKEMIA CELL
DIFFERENTIATION
PROTEIN MCL-1
(Homo
sapiens) 		4 / 8 SER A 178
ILE A 181
TRP A 312
PHE A 315
 None
 1.27A 4cx7A-3pk1A:
undetectable
4cx7B-3pk1A:
undetectable		 4cx7A-3pk1A:
19.16
4cx7B-3pk1A:
19.16
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.
4DO3_A_0LAA602_1
(FATTY-ACID AMIDE
HYDROLASE 1)		 3pk1 INDUCED MYELOID
LEUKEMIA CELL
DIFFERENTIATION
PROTEIN MCL-1
(Homo
sapiens) 		4 / 5 LEU A 267
LEU A 298
THR A 259
TRP A 305
 None
 1.42A 4do3A-3pk1A:
undetectable		 4do3A-3pk1A:
16.12
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.
5EWU_A_BEZA1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)		 3pk1 INDUCED MYELOID
LEUKEMIA CELL
DIFFERENTIATION
PROTEIN MCL-1
(Homo
sapiens) 		4 / 6 GLY A 217
SER A 269
VAL A 265
HIS A 224
 None
None
None
CD  A   5 (-3.5A)
 1.03A 5ewuA-3pk1A:
undetectable		 5ewuA-3pk1A:
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.
5EWU_B_BEZB1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)		 3pk1 INDUCED MYELOID
LEUKEMIA CELL
DIFFERENTIATION
PROTEIN MCL-1
(Homo
sapiens) 		4 / 6 GLY A 217
SER A 269
VAL A 265
HIS A 224
 None
None
None
CD  A   5 (-3.5A)
 1.09A 5ewuB-3pk1A:
undetectable		 5ewuB-3pk1A:
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.
6B52_A_OAQA302_0
(SULFOTRANSFERASE)		 3pk1 INDUCED MYELOID
LEUKEMIA CELL
DIFFERENTIATION
PROTEIN MCL-1
(Homo
sapiens) 		5 / 12 ILE A 268
LEU A 179
VAL A 297
SER A 178
MET A 250
 None
 1.11A 6b52A-3pk1A:
undetectable		 6b52A-3pk1A:
23.53