SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'D12'


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.
1HK3_A_T44A3002_1
(SERUM ALBUMIN)		 1osm OMPK36
(Klebsiella
pneumoniae) 		4 / 8 GLN A 255
ASN A 256
TYR A 275
LEU A 292
 None
None
D12  A 344 ( 4.7A)
None
 1.09A 1hk3A-1osmA:
undetectable		 1hk3A-1osmA:
18.08
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.
1XZX_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA-1)		 2h4t CARNITINE
O-PALMITOYLTRANSFERA
SE II, MITOCHONDRIAL
(Rattus
norvegicus) 		5 / 12 ALA A 367
MET A 342
LEU A 599
ILE A 443
HIS A 337
 None
None
D12  A1703 (-4.2A)
None
None
 1.06A 1xzxX-2h4tA:
undetectable		 1xzxX-2h4tA:
18.15
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.
2H77_A_T3A1_1
(THRA PROTEIN)		 2h4t CARNITINE
O-PALMITOYLTRANSFERA
SE II, MITOCHONDRIAL
(Rattus
norvegicus) 		5 / 12 ALA A 367
MET A 342
LEU A 599
ILE A 443
HIS A 337
 None
None
D12  A1703 (-4.2A)
None
None
 1.06A 2h77A-2h4tA:
undetectable		 2h77A-2h4tA:
18.12
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.
2OIQ_A_STIA1001_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2ynk WZI
(Escherichia
coli) 		4 / 5 LEU A 119
VAL A  27
LEU A  85
ARG A  34
 D12  A1008 ( 4.6A)
None
None
None
 1.09A 2oiqA-2ynkA:
undetectable		 2oiqA-2ynkA:
19.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_A_VD3A2001_1
(VITAMIN D
HYDROXYLASE)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 252
ILE A 255
ALA A 256
THR A 260
LEU A 184
 HEM  A 501 ( 4.5A)
D12  A 509 ( 4.1A)
HEM  A 501 ( 3.5A)
HEM  A 501 (-3.4A)
D12  A 509 ( 4.3A)
 0.94A 3a50A-3r9bA:
48.5		 3a50A-3r9bA:
39.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_C_VD3C2001_1
(VITAMIN D
HYDROXYLASE)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 11 LEU A 180
LEU A 252
ILE A 255
THR A 260
LEU A 184
 None
HEM  A 501 ( 4.5A)
D12  A 509 ( 4.1A)
HEM  A 501 (-3.4A)
D12  A 509 ( 4.3A)
 0.94A 3a50C-3r9bA:
49.2		 3a50C-3r9bA:
39.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_D_VD3D2001_1
(VITAMIN D
HYDROXYLASE)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 180
ILE A 255
ALA A 256
THR A 260
LEU A 184
 None
D12  A 509 ( 4.1A)
HEM  A 501 ( 3.5A)
HEM  A 501 (-3.4A)
D12  A 509 ( 4.3A)
 0.83A 3a50D-3r9bA:
48.9		 3a50D-3r9bA:
39.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_E_VD3E2001_1
(VITAMIN D
HYDROXYLASE)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 180
LEU A 252
ILE A 255
THR A 260
LEU A 184
 None
HEM  A 501 ( 4.5A)
D12  A 509 ( 4.1A)
HEM  A 501 (-3.4A)
D12  A 509 ( 4.3A)
 0.92A 3a50E-3r9bA:
49.0		 3a50E-3r9bA:
39.73
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.
3GWS_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA)		 2h4t CARNITINE
O-PALMITOYLTRANSFERA
SE II, MITOCHONDRIAL
(Rattus
norvegicus) 		5 / 12 ALA A 367
MET A 342
LEU A 599
ILE A 443
HIS A 337
 None
None
D12  A1703 (-4.2A)
None
None
 1.06A 3gwsX-2h4tA:
undetectable		 3gwsX-2h4tA:
18.05
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.
3KO0_M_TFPM201_1
(PROTEIN S100-A4)		 5h1z PUTATIVE CYP ALKANE
HYDROXYLASE
CYP153D17
(Sphingomonas
sp.
PAMC
26605) 		4 / 7 GLY A 358
MET A  90
PHE A 235
GLY A 245
 HEM  A 501 (-3.5A)
D12  A 502 (-4.3A)
None
D12  A 502 ( 3.5A)
 0.99A 3ko0M-5h1zA:
0.1
3ko0P-5h1zA:
undetectable		 3ko0M-5h1zA:
13.37
3ko0P-5h1zA:
13.37
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.
3LM8_A_VIBA223_1
(THIAMINE
PYROPHOSPHOKINASE)		 1osm OMPK36
(Klebsiella
pneumoniae) 		4 / 7 LEU A 292
LEU A 276
ASN A 256
THR A 229
 None
None
None
D12  A 349 (-3.2A)
 1.05A 3lm8A-1osmA:
undetectable
3lm8C-1osmA:
undetectable		 3lm8A-1osmA:
21.02
3lm8C-1osmA:
21.02
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.
3PP1_A_ACTA590_0
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 2ynk WZI
(Escherichia
coli) 		4 / 5 GLU A 139
LEU A 119
GLN A 113
GLY A  96
 None
D12  A1008 ( 4.6A)
None
D12  A1008 ( 4.2A)
 1.20A 3pp1A-2ynkA:
undetectable		 3pp1A-2ynkA:
19.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9C_A_ECLA451_1
(CYTOCHROME P450
164A2)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A  95
ALA A 256
THR A 260
VAL A 303
THR A 403
 None
HEM  A 501 ( 3.5A)
HEM  A 501 (-3.4A)
HEM  A 501 (-4.7A)
D12  A 509 ( 4.6A)
 1.06A 3r9cA-3r9bA:
62.5		 3r9cA-3r9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9C_A_ECLA451_1
(CYTOCHROME P450
164A2)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		9 / 10 LEU A 180
LEU A 184
LEU A 252
ILE A 255
ALA A 256
THR A 260
VAL A 303
VAL A 306
THR A 403
 None
D12  A 509 ( 4.3A)
HEM  A 501 ( 4.5A)
D12  A 509 ( 4.1A)
HEM  A 501 ( 3.5A)
HEM  A 501 (-3.4A)
HEM  A 501 (-4.7A)
D12  A 509 ( 4.5A)
D12  A 509 ( 4.6A)
 0.52A 3r9cA-3r9bA:
62.5		 3r9cA-3r9bA:
100.00
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.
3S79_A_ASDA601_1
(CYTOCHROME P450 19A1)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ILE A 255
ALA A 256
THR A 260
VAL A 303
LEU A 305
 D12  A 509 ( 4.1A)
HEM  A 501 ( 3.5A)
HEM  A 501 (-3.4A)
HEM  A 501 (-4.7A)
None
 0.93A 3s79A-3r9bA:
29.9		 3s79A-3r9bA:
25.86
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.
4E7C_A_ACTA504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 5ax0 RHODOPSIN I
(Acetabularia
acetabulum) 		3 / 3 ARG A  80
TRP A 192
GLY A 193
 None
RET  A 301 ( 4.1A)
D12  A 306 ( 3.9A)
 0.82A 4e7cA-5ax0A:
undetectable		 4e7cA-5ax0A:
22.49
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.
4WNW_B_RTZB602_1
(CYTOCHROME P450 2D6)		 4jrb GREEN FLUORESCENT
PROTEIN
(Aequorea
victoria;
Blattella
germanica) 		5 / 12 PHE A1043
LEU A1044
GLY A1102
LEU A1036
GLN A1037
 D12  A1304 ( 4.1A)
None
None
None
None
 1.09A 4wnwB-4jrbA:
undetectable		 4wnwB-4jrbA:
23.21
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.
5JKV_A_ASDA602_1
(AROMATASE)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ILE A 255
ALA A 256
THR A 260
VAL A 303
LEU A 305
 D12  A 509 ( 4.1A)
HEM  A 501 ( 3.5A)
HEM  A 501 (-3.4A)
HEM  A 501 (-4.7A)
None
 0.91A 5jkvA-3r9bA:
29.9		 5jkvA-3r9bA:
25.86
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.
5JKW_A_TESA601_1
(AROMATASE)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		5 / 11 PHE A  99
THR A 260
VAL A 303
VAL A 306
LEU A 184
 None
HEM  A 501 (-3.4A)
HEM  A 501 (-4.7A)
D12  A 509 ( 4.5A)
D12  A 509 ( 4.3A)
 0.98A 5jkwA-3r9bA:
30.0		 5jkwA-3r9bA:
25.86
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.
5M5K_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3r9b CYTOCHROME P450
164A2
(Mycolicibacteriu
m
smegmatis) 		4 / 4 GLN A 304
THR A 403
LEU A  19
LEU A  22
 None
D12  A 509 ( 4.6A)
None
None
 1.27A 5m5kB-3r9bA:
undetectable		 5m5kB-3r9bA:
22.20
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.
5VCE_A_RITA602_1
(CYTOCHROME P450 3A4)		 5h1z PUTATIVE CYP ALKANE
HYDROXYLASE
CYP153D17
(Sphingomonas
sp.
PAMC
26605) 		5 / 12 ILE A  79
ALA A  76
THR A  74
ILE A  73
ALA A  93
 None
None
D12  A 502 (-3.5A)
None
None
 0.97A 5vceA-5h1zA:
28.0		 5vceA-5h1zA:
23.97