SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3d4o'

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.
1SKX_A_RFPA1_2
(ORPHAN NUCLEAR
RECEPTOR PXR)		 3d4o DIPICOLINATE
SYNTHASE SUBUNIT A
(Bacillus
halodurans) 		4 / 5 LYS A 172
PHE A 150
LEU A 176
LEU A 262
 None
 1.43A 1skxA-3d4oA:
undetectable		 1skxA-3d4oA:
23.15
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.
3CYX_A_ROCA201_4
(HIV-1 PROTEASE)		 3d4o DIPICOLINATE
SYNTHASE SUBUNIT A
(Bacillus
halodurans) 		4 / 4 LEU A 162
ASP A 126
VAL A 165
THR A 219
 None
None
TAR  A 295 ( 3.8A)
None
 1.26A 3cyxB-3d4oA:
undetectable		 3cyxB-3d4oA:
16.95
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.
3EEO_A_SAMA328_1
(MODIFICATION
METHYLASE HHAI)		 3d4o DIPICOLINATE
SYNTHASE SUBUNIT A
(Bacillus
halodurans) 		3 / 3 GLU A  52
SER A  31
VAL A   8
 None
 0.76A 3eeoA-3d4oA:
6.2		 3eeoA-3d4oA:
22.19
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.
3FRQ_A_ERYA195_0
(REPRESSOR PROTEIN
MPHR(A))		 3d4o DIPICOLINATE
SYNTHASE SUBUNIT A
(Bacillus
halodurans) 		5 / 12 VAL A  58
MET A  89
TYR A 107
VAL A   8
ILE A  50
 None
 1.25A 3frqA-3d4oA:
undetectable		 3frqA-3d4oA:
24.16
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.
3MBG_C_ACTC800_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 3d4o DIPICOLINATE
SYNTHASE SUBUNIT A
(Bacillus
halodurans) 		3 / 3 ASP A 282
ARG A 278
ALA A 281
 None
 0.77A 3mbgC-3d4oA:
undetectable		 3mbgC-3d4oA:
21.13
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.
4UBS_A_DIFA503_1
(PENTALENIC ACID
SYNTHASE)		 3d4o DIPICOLINATE
SYNTHASE SUBUNIT A
(Bacillus
halodurans) 		4 / 7 LEU A 122
ALA A  60
LEU A  62
LEU A  63
 EDO  A 293 (-4.9A)
None
EDO  A 293 (-3.9A)
None
 0.85A 4ubsA-3d4oA:
undetectable		 4ubsA-3d4oA:
22.96
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.
5JKW_A_TESA601_1
(AROMATASE)		 3d4o DIPICOLINATE
SYNTHASE SUBUNIT A
(Bacillus
halodurans) 		5 / 11 ILE A 220
THR A 249
VAL A 239
VAL A 215
LEU A 210
 None
 1.45A 5jkwA-3d4oA:
undetectable		 5jkwA-3d4oA:
21.69
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.
5JWA_H_ACTH614_0
(NADH DEHYDROGENASE,
PUTATIVE)		 3d4o DIPICOLINATE
SYNTHASE SUBUNIT A
(Bacillus
halodurans) 		4 / 6 ILE A  61
VAL A  53
VAL A   8
TRP A  55
 None
 1.00A 5jwaH-3d4oA:
3.4		 5jwaH-3d4oA:
19.85
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		 3d4o DIPICOLINATE
SYNTHASE SUBUNIT A
(Bacillus
halodurans) 		5 / 10 ALA A 281
LEU A 284
VAL A 285
GLU A  18
ILE A   9
 None
 0.88A 5v02B-3d4oA:
undetectable
5v02R-3d4oA:
undetectable		 5v02B-3d4oA:
18.62
5v02R-3d4oA:
22.76
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.
6A4I_A_TRPA403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)		 3d4o DIPICOLINATE
SYNTHASE SUBUNIT A
(Bacillus
halodurans) 		4 / 8 TRP A  55
THR A  93
PRO A  94
ILE A  61
 None
 0.83A 6a4iA-3d4oA:
undetectable		 6a4iA-3d4oA:
19.59