SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'HEB'


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.
1Q23_K_FUAK712_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4max CYANOGLOBIN
(Synechococcus
sp.
PCC
7002) 		3 / 3 VAL A 108
ALA A  54
HIS A 117
 None
None
HEB  A 201 (-2.6A)
 0.79A 1q23L-4maxA:
undetectable		 1q23L-4maxA:
18.87
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.
1RMT_B_ADNB1502_1
(CLASS B ACID
PHOSPHATASE)		 5ir6 BD-TYPE QUINOL
OXIDASE SUBUNIT I
BD-TYPE QUINOL
OXIDASE SUBUNIT II
(Geobacillus
stearothermophil
us) 		4 / 7 PHE B  67
GLU A 101
LEU A  98
THR A  73
 None
HEB  A 502 (-3.0A)
None
HEB  A 502 (-4.6A)
 0.96A 1rmtB-5ir6B:
undetectable		 1rmtB-5ir6B:
18.21
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.
1TDR_A_MTXA170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 5ir6 BD-TYPE QUINOL
OXIDASE SUBUNIT I
(Geobacillus
stearothermophil
us) 		5 / 12 ILE A 370
ALA A  25
LEU A  18
THR A 147
ARG A 381
 HEB  A 501 (-4.0A)
HEB  A 502 (-3.7A)
HDD  A 503 (-3.1A)
HDD  A 503 (-4.0A)
HDD  A 503 (-3.5A)
 1.09A 1tdrA-5ir6A:
undetectable		 1tdrA-5ir6A:
15.12
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.
3IB2_A_IBPA3960_1
(LACTOTRANSFERRIN)		 5ir6 BD-TYPE QUINOL
OXIDASE SUBUNIT I
(Geobacillus
stearothermophil
us) 		4 / 4 GLY A  28
VAL A  65
GLY A  72
THR A  73
 HEB  A 502 ( 4.0A)
HEB  A 502 (-3.4A)
HEB  A 502 (-3.4A)
HEB  A 502 (-4.6A)
 0.92A 3ib2A-5ir6A:
undetectable		 3ib2A-5ir6A:
21.41
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.
3J7Z_A_ERYA9000_0
(23S RRNA
50S RIBOSOMAL
PROTEIN L22
ERMCL NASCENT CHAIN)		 5ir6 BD-TYPE QUINOL
OXIDASE SUBUNIT I
(Geobacillus
stearothermophil
us) 		3 / 3 LYS A 252
ILE A 146
PHE A 145
 HEB  A 501 (-3.3A)
HDD  A 503 ( 2.9A)
None
 0.99A 3j7zS-5ir6A:
0.5
3j7za-5ir6A:
undetectable		 3j7zS-5ir6A:
13.85
3j7za-5ir6A:
4.89
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.
4AZT_A_SAMA1472_0
(METHYLTRANSFERASE
WBDD)		 5ir6 BD-TYPE QUINOL
OXIDASE SUBUNIT I
(Geobacillus
stearothermophil
us) 		5 / 12 TYR A 389
ALA A  90
GLU A 101
VAL A 149
ILE A 146
 None
None
HEB  A 502 (-3.0A)
HDD  A 503 ( 4.9A)
HDD  A 503 ( 2.9A)
 1.14A 4aztA-5ir6A:
undetectable		 4aztA-5ir6A:
22.78
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.
4XV2_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 5ir6 BD-TYPE QUINOL
OXIDASE SUBUNIT I
BD-TYPE QUINOL
OXIDASE SUBUNIT II
(Geobacillus
stearothermophil
us) 		4 / 4 GLY A  76
VAL B  68
PHE A 152
ILE A  94
 HEB  A 502 (-3.4A)
None
None
None
 1.03A 4xv2B-5ir6A:
3.0		 4xv2B-5ir6A:
22.10
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.
5UL4_A_SAMA803_0
(OXSB PROTEIN)		 5ir6 BD-TYPE QUINOL
OXIDASE SUBUNIT I
(Geobacillus
stearothermophil
us) 		5 / 12 PHE A 322
ALA A 294
GLY A 242
GLY A 238
LEU A 270
 None
None
HEB  A 501 (-3.4A)
HEB  A 501 (-3.5A)
None
 1.15A 5ul4A-5ir6A:
undetectable		 5ul4A-5ir6A:
19.25
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.
6DJZ_C_GMJC301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 5ir6 BD-TYPE QUINOL
OXIDASE SUBUNIT I
(Geobacillus
stearothermophil
us) 		5 / 12 ALA A 203
LEU A 199
VAL A  65
VAL A 135
ALA A  38
 None
None
HEB  A 502 (-3.4A)
None
None
 1.05A 6djzC-5ir6A:
undetectable		 6djzC-5ir6A:
20.22