SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ai2'

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.
1EPB_A_9CRA165_2
(EPIDIDYMAL RETINOIC
ACID-BINDING PROTEIN)		 3ai2 NADPH-SORBOSE
REDUCTASE
(Gluconobacter
frateurii) 		4 / 7 LEU A 127
ALA A  86
VAL A   9
VAL A  35
 None
 0.81A 1epbA-3ai2A:
undetectable		 1epbA-3ai2A:
26.47
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.
1EQU_A_EQIA329_0
(PROTEIN (ESTRADIOL
17
BETA-DEHYDROGENASE
1))		 3ai2 NADPH-SORBOSE
REDUCTASE
(Gluconobacter
frateurii) 		5 / 10 SER A 144
LEU A 151
TYR A 157
GLY A 188
GLU A 220
 NDP  A 270 ( 3.7A)
None
NDP  A 270 (-4.6A)
None
None
 0.99A 1equA-3ai2A:
26.2		 1equA-3ai2A:
26.49
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.
1ERR_B_CCSB381_0
(ESTROGEN RECEPTOR)		 3ai2 NADPH-SORBOSE
REDUCTASE
(Gluconobacter
frateurii) 		3 / 3 GLU A 174
ALA A 172
SER A 168
 None
 0.67A 1errB-3ai2A:
undetectable		 1errB-3ai2A:
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.
1IOL_A_ESTA400_1
(ESTROGENIC 17-BETA
HYDROXYSTEROID
DEHYDROGENASE)		 3ai2 NADPH-SORBOSE
REDUCTASE
(Gluconobacter
frateurii) 		5 / 11 SER A 144
LEU A 151
TYR A 157
GLY A 188
GLU A 220
 NDP  A 270 ( 3.7A)
None
NDP  A 270 (-4.6A)
None
None
 0.99A 1iolA-3ai2A:
27.3		 1iolA-3ai2A:
26.79
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.
1LIK_A_ADNA699_1
(ADENOSINE KINASE)		 3ai2 NADPH-SORBOSE
REDUCTASE
(Gluconobacter
frateurii) 		5 / 12 ASN A  98
LEU A 202
GLY A  96
THR A 198
TYR A 153
 None
 0.92A 1likA-3ai2A:
7.6		 1likA-3ai2A:
21.24
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.
1XOZ_A_CIAA501_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3ai2 NADPH-SORBOSE
REDUCTASE
(Gluconobacter
frateurii) 		5 / 12 ALA A  10
ILE A  12
ILE A  88
VAL A 238
ILE A 185
 None
 1.06A 1xozA-3ai2A:
undetectable		 1xozA-3ai2A:
20.27
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.
2B25_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		 3ai2 NADPH-SORBOSE
REDUCTASE
(Gluconobacter
frateurii) 		5 / 12 SER A   6
GLY A   4
MET A   3
HIS A  33
ILE A  12
 None
 1.14A 2b25B-3ai2A:
6.3		 2b25B-3ai2A:
20.58
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.
2BM9_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3ai2 NADPH-SORBOSE
REDUCTASE
(Gluconobacter
frateurii) 		5 / 12 GLY A  14
ARG A  39
ASP A  65
ASN A  92
ALA A  93
 NDP  A 270 (-2.9A)
NDP  A 270 (-3.6A)
NDP  A 270 (-3.6A)
NDP  A 270 (-3.2A)
NDP  A 270 ( 3.8A)
 0.97A 2bm9E-3ai2A:
2.3		 2bm9E-3ai2A:
23.30
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.
2I30_A_SALA1200_1
(SERUM ALBUMIN)		 3ai2 NADPH-SORBOSE
REDUCTASE
(Gluconobacter
frateurii) 		4 / 4 LEU A  51
ILE A  12
ILE A  23
ALA A  22
 None
 0.79A 2i30A-3ai2A:
undetectable		 2i30A-3ai2A:
17.86
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.
3UBO_B_ADNB353_2
(ADENOSINE KINASE)		 3ai2 NADPH-SORBOSE
REDUCTASE
(Gluconobacter
frateurii) 		4 / 5 SER A 144
ILE A  19
TYR A 157
GLY A 188
 NDP  A 270 ( 3.7A)
NDP  A 270 (-3.7A)
NDP  A 270 (-4.6A)
None
 1.03A 3uboB-3ai2A:
7.1		 3uboB-3ai2A:
21.95
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.
3UVV_A_T3A501_1
(THYROID HORMONE
RECEPTOR ALPHA)		 3ai2 NADPH-SORBOSE
REDUCTASE
(Gluconobacter
frateurii) 		5 / 12 ILE A  19
ILE A  23
ALA A  22
LEU A 233
PHE A  27
 NDP  A 270 (-3.7A)
None
None
None
None
 1.09A 3uvvA-3ai2A:
undetectable		 3uvvA-3ai2A:
22.85
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.
4FE1_A_PQNA846_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 3ai2 NADPH-SORBOSE
REDUCTASE
(Gluconobacter
frateurii) 		5 / 10 MET A 131
ALA A 120
LEU A 123
GLY A 126
ALA A  47
 None
 1.28A 4fe1A-3ai2A:
undetectable
4fe1J-3ai2A:
undetectable		 4fe1A-3ai2A:
16.15
4fe1J-3ai2A:
7.60
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.
4HYT_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 3ai2 NADPH-SORBOSE
REDUCTASE
(Gluconobacter
frateurii) 		5 / 12 LEU A 240
GLU A 174
GLY A 250
ALA A 252
PHE A 167
 None
 1.01A 4hytA-3ai2A:
4.9		 4hytA-3ai2A:
14.99
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.
4HYT_C_OBNC2004_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 3ai2 NADPH-SORBOSE
REDUCTASE
(Gluconobacter
frateurii) 		5 / 12 LEU A 240
GLU A 174
GLY A 250
ALA A 252
PHE A 167
 None
 1.04A 4hytC-3ai2A:
undetectable		 4hytC-3ai2A:
14.99
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.
4J14_A_X2NA602_1
(CHOLESTEROL
24-HYDROXYLASE)		 3ai2 NADPH-SORBOSE
REDUCTASE
(Gluconobacter
frateurii) 		5 / 10 ALA A  47
LEU A  51
PHE A  55
VAL A  57
ALA A  10
 None
 1.05A 4j14A-3ai2A:
undetectable		 4j14A-3ai2A:
21.52
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.
4L6V_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
FUSION PROTEIN OF
PHOTOSYSTEM I
SUBUNIT III AND
SUBUNIT IX)		 3ai2 NADPH-SORBOSE
REDUCTASE
(Gluconobacter
frateurii) 		5 / 9 MET A 131
ALA A 120
LEU A 123
GLY A 126
ALA A  47
 None
 1.32A 4l6va-3ai2A:
undetectable
4l6vf-3ai2A:
undetectable		 4l6va-3ai2A:
17.84
4l6vf-3ai2A:
18.58
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.
4L6V_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
FUSION PROTEIN OF
PHOTOSYSTEM I
SUBUNIT III AND
SUBUNIT IX)		 3ai2 NADPH-SORBOSE
REDUCTASE
(Gluconobacter
frateurii) 		5 / 9 MET A 131
ALA A 120
LEU A 123
GLY A 126
ALA A  48
 None
 1.38A 4l6va-3ai2A:
undetectable
4l6vf-3ai2A:
undetectable		 4l6va-3ai2A:
17.84
4l6vf-3ai2A:
18.58
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.
4ZJ8_A_SUVA2001_2
(HUMAN OX1R FUSION
PROTEIN TO P.ABYSII
GLYCOGEN SYNTHASE)		 3ai2 NADPH-SORBOSE
REDUCTASE
(Gluconobacter
frateurii) 		4 / 6 ILE A 190
PRO A 230
ILE A  12
VAL A  90
 NDP  A 270 (-4.3A)
None
None
None
 1.00A 4zj8A-3ai2A:
6.0		 4zj8A-3ai2A:
18.53
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.
6BKL_C_EU7C101_0
(MATRIX PROTEIN 2)		 3ai2 NADPH-SORBOSE
REDUCTASE
(Gluconobacter
frateurii) 		5 / 9 ALA A  10
ALA A  24
VAL A  37
SER A  15
GLY A  20
 None
 1.20A 6bklA-3ai2A:
undetectable
6bklB-3ai2A:
undetectable
6bklC-3ai2A:
undetectable
6bklD-3ai2A:
undetectable		 6bklA-3ai2A:
6.84
6bklB-3ai2A:
6.84
6bklC-3ai2A:
6.84
6bklD-3ai2A:
6.84