SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2MD'


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.
1NW5_A_SAMA401_0
(MODIFICATION
METHYLASE RSRI)
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas)
5 / 12 TRP A 538
PHE A 513
GLY A 127
SER A 128
ALA A 124
None
None
None
2MD  A1001 ( 4.3A)
None
1.28A 1nw5A-1h0hA:
undetectable
1nw5A-1h0hA:
16.06
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.
1P93_A_DEXA1999_1
(GLUCOCORTICOID
RECEPTOR)
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli)
5 / 12 GLY X 334
GLN X 335
GLN X 463
THR X  36
ILE X 161
MGD  X 802 ( 3.3A)
2MD  X 801 (-3.2A)
None
None
None
1.34A 1p93A-2iv2X:
undetectable
1p93A-2iv2X:
17.87
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.
1SQF_A_SAMA430_1
(SUN PROTEIN)
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia)
3 / 3 PRO A 246
ASP A 249
ASP A 227
None
2MD  A 800 (-3.1A)
2MD  A 800 (-2.8A)
0.81A 1sqfA-1tmoA:
undetectable
1sqfA-1tmoA:
19.86
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.
2AOX_A_THAA400_1
(HISTAMINE
N-METHYLTRANSFERASE)
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia)
4 / 8 PHE A  16
GLN A 659
TRP A 118
TRP A 198
None
2MD  A 799 (-3.7A)
2MO  A 801 ( 3.9A)
None
1.22A 2aoxA-1tmoA:
2.4
2aoxA-1tmoA:
15.40
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.
2AOX_B_THAB401_1
(HISTAMINE
N-METHYLTRANSFERASE)
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia)
4 / 7 PHE A  16
GLN A 659
TRP A 118
TRP A 198
None
2MD  A 799 (-3.7A)
2MO  A 801 ( 3.9A)
None
1.21A 2aoxB-1tmoA:
2.6
2aoxB-1tmoA:
15.40
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.
2F16_2_BO221405_1
(PROTEASOME COMPONENT
PRE3)
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia)
5 / 11 THR A 474
THR A 472
ALA A 473
SER A 440
GLY A 441
None
2MD  A 799 (-4.0A)
None
2MD  A 799 ( 4.4A)
2MD  A 799 (-3.7A)
1.21A 2f162-1tmoA:
undetectable
2f162-1tmoA:
12.92
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.
2F16_N_BO2N1404_1
(PROTEASOME COMPONENT
PRE3)
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia)
5 / 11 THR A 474
THR A 472
ALA A 473
SER A 440
GLY A 441
None
2MD  A 799 (-4.0A)
None
2MD  A 799 ( 4.4A)
2MD  A 799 (-3.7A)
1.20A 2f16N-1tmoA:
undetectable
2f16N-1tmoA:
12.92
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.
2FT9_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN 2, LIVER)
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas)
5 / 11 TYR A 139
LEU A 143
LEU A 148
PRO A 519
LEU A 612
None
None
None
2MD  A1001 ( 4.9A)
None
1.22A 2ft9A-1h0hA:
0.0
2ft9A-1h0hA:
9.47
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.
2QBM_A_CAMA517_0
(CYTOCHROME P450-CAM)
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia)
5 / 8 PHE A 524
VAL A 465
THR A 466
ASP A 520
ILE A 523
None
None
None
2MD  A 799 (-3.4A)
None
1.22A 2qbmA-1tmoA:
undetectable
2qbmA-1tmoA:
18.77
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.
3A25_A_SAMA279_1
(UNCHARACTERIZED
PROTEIN PH0793)
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia)
3 / 3 MET A  43
GLU A 662
ASP A 468
None
None
2MD  A 799 (-3.1A)
1.04A 3a25A-1tmoA:
undetectable
3a25A-1tmoA:
17.82
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.
3BJW_E_SVRE510_3
(PHOSPHOLIPASE A2)
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas)
4 / 5 VAL A 905
THR A 975
THR A 954
ARG A 906
None
None
2MD  A1001 ( 4.4A)
None
1.23A 3bjwG-1h0hA:
0.0
3bjwG-1h0hA:
8.00
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas)
3 / 3 ARG A 156
THR A 854
THR A 529
None
2MD  A1001 (-3.3A)
None
0.71A 3k2hB-1h0hA:
undetectable
3k2hB-1h0hA:
19.62
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.
3MG0_2_BO221405_1
(PROTEASOME COMPONENT
PRE3
PROTEASOME COMPONENT
PUP1)
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia)
5 / 12 THR A 474
THR A 472
ALA A 473
SER A 440
GLY A 441
None
2MD  A 799 (-4.0A)
None
2MD  A 799 ( 4.4A)
2MD  A 799 (-3.7A)
1.16A 3mg02-1tmoA:
undetectable
3mg0V-1tmoA:
undetectable
3mg02-1tmoA:
12.92
3mg0V-1tmoA:
14.34
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.
3MG0_N_BO2N1404_1
(PROTEASOME COMPONENT
PRE3)
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia)
5 / 11 THR A 474
THR A 472
ALA A 473
SER A 440
GLY A 441
None
2MD  A 799 (-4.0A)
None
2MD  A 799 ( 4.4A)
2MD  A 799 (-3.7A)
1.16A 3mg0N-1tmoA:
undetectable
3mg0N-1tmoA:
12.92
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.
3TM4_A_SAMA401_1
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli)
4 / 5 HIS X 451
THR X   6
GLU X 450
ASP X  54
2MD  X 801 (-4.7A)
None
None
None
1.41A 3tm4A-2iv2X:
undetectable
3tm4A-2iv2X:
20.69
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.
3TM4_B_SAMB401_1
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli)
4 / 5 HIS X 451
THR X   6
GLU X 450
ASP X  54
2MD  X 801 (-4.7A)
None
None
None
1.38A 3tm4B-2iv2X:
undetectable
3tm4B-2iv2X:
20.69
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.
4A83_A_DXCA1160_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli)
5 / 12 PHE X 462
PHE X 455
GLN X 335
ALA X 341
MET X 344
None
None
2MD  X 801 (-3.2A)
None
None
1.39A 4a83A-2iv2X:
undetectable
4a83A-2iv2X:
12.09
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.
4AZS_A_SAMA1475_1
(METHYLTRANSFERASE
WBDD)
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli)
3 / 3 ARG X  68
ASP X 404
GLN X 407
None
2MD  X 801 (-4.7A)
None
0.87A 4azsA-2iv2X:
undetectable
4azsA-2iv2X:
22.67
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.
4IKJ_B_SUZB201_1
(TRANSTHYRETIN)
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia)
4 / 8 SER A 129
SER A 127
ALA A 381
SER A 126
None
2MD  A 799 (-3.4A)
None
None
0.64A 4ikjA-1tmoA:
undetectable
4ikjB-1tmoA:
undetectable
4ikjA-1tmoA:
11.32
4ikjB-1tmoA:
11.32
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.
4IKK_A_SUZA201_1
(TRANSTHYRETIN)
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia)
4 / 8 ALA A 381
SER A 126
SER A 129
SER A 127
None
None
None
2MD  A 799 (-3.4A)
0.71A 4ikkA-1tmoA:
undetectable
4ikkB-1tmoA:
undetectable
4ikkA-1tmoA:
11.32
4ikkB-1tmoA:
11.32
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.
4JD6_A_TOYA501_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas)
5 / 9 ASP A 605
ILE A 609
TRP A 142
SER A 125
VAL A 126
2MD  A1001 (-2.8A)
None
None
None
None
1.50A 4jd6A-1h0hA:
0.0
4jd6A-1h0hA:
17.36
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.
4JVL_A_ESTA702_1
(ESTROGEN
SULFOTRANSFERASE)
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli)
4 / 9 TYR X  10
CYH X 588
HIS X 585
ILE X 430
None
2MD  X 801 (-4.2A)
None
2MD  X 801 (-4.2A)
1.24A 4jvlA-2iv2X:
undetectable
4jvlA-2iv2X:
17.76
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.
4N48_A_SAMA601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli)
5 / 12 GLY X 113
GLY X 111
THR X 116
ASN X 114
GLY X 107
None
2MD  X 801 (-3.8A)
None
None
None
1.15A 4n48A-2iv2X:
undetectable
4n48A-2iv2X:
21.10
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.
4N48_B_SAMB601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli)
5 / 12 GLY X 113
GLY X 111
THR X 116
ASN X 114
GLY X 107
None
2MD  X 801 (-3.8A)
None
None
None
1.12A 4n48B-2iv2X:
undetectable
4n48B-2iv2X:
21.10
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.
4ZZC_A_ACTA401_0
(PROTON-GATED ION
CHANNEL)
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli)
4 / 6 ILE X 430
PHE X 431
ARG X  61
ILE X  52
2MD  X 801 (-4.2A)
None
None
None
1.00A 4zzcA-2iv2X:
undetectable
4zzcB-2iv2X:
undetectable
4zzcA-2iv2X:
17.87
4zzcB-2iv2X:
17.87
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.
4ZZC_B_ACTB401_0
(PROTON-GATED ION
CHANNEL)
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli)
4 / 6 ILE X 430
PHE X 431
ARG X  61
ILE X  52
2MD  X 801 (-4.2A)
None
None
None
1.08A 4zzcB-2iv2X:
undetectable
4zzcC-2iv2X:
undetectable
4zzcB-2iv2X:
17.87
4zzcC-2iv2X:
17.87
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.
5AMI_B_EF2B151_1
(CEREBLON ISOFORM 4)
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia)
4 / 8 ASN A 443
PRO A 444
PHE A 439
SER A 440
2MD  A 799 (-4.5A)
None
None
2MD  A 799 ( 4.4A)
0.65A 5amiB-1tmoA:
undetectable
5amiB-1tmoA:
9.59
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.
5EDL_A_VIBA201_1
(PUTATIVE
HMP/THIAMINE
PERMEASE PROTEIN
YKOE)
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli)
5 / 12 TYR X  10
TRP X 448
ILE X 430
SER X 590
ARG X 110
None
None
2MD  X 801 (-4.2A)
2MD  X 801 (-3.2A)
2MD  X 801 (-4.4A)
1.47A 5edlA-2iv2X:
0.6
5edlA-2iv2X:
15.24
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.
5IKR_B_ID8B602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli)
3 / 3 SER X 445
LEU X  75
MET X  66
2MD  X 801 (-2.9A)
None
None
0.70A 5ikrB-2iv2X:
undetectable
5ikrB-2iv2X:
22.48
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.
5LF7_B_6V8B304_0
(PROTEASOME SUBUNIT
BETA TYPE-6
PROTEASOME SUBUNIT
BETA TYPE-7)
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia)
5 / 12 THR A 474
THR A 472
ALA A 473
SER A 440
GLY A 441
None
2MD  A 799 (-4.0A)
None
2MD  A 799 ( 4.4A)
2MD  A 799 (-3.7A)
1.13A 5lf7V-1tmoA:
undetectable
5lf7b-1tmoA:
undetectable
5lf7V-1tmoA:
14.23
5lf7b-1tmoA:
14.15
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.
5LF7_N_6V8N305_0
(PROTEASOME SUBUNIT
BETA TYPE-6
PROTEASOME SUBUNIT
BETA TYPE-7)
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia)
5 / 12 THR A 474
THR A 472
ALA A 473
SER A 440
GLY A 441
None
2MD  A 799 (-4.0A)
None
2MD  A 799 ( 4.4A)
2MD  A 799 (-3.7A)
1.13A 5lf7H-1tmoA:
undetectable
5lf7N-1tmoA:
undetectable
5lf7H-1tmoA:
14.23
5lf7N-1tmoA:
14.15
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.
5N0O_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia)
3 / 3 ALA A 152
GLN A 333
THR A 761
None
2MD  A 800 (-3.5A)
None
0.71A 5n0oA-1tmoA:
undetectable
5n0oA-1tmoA:
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.
5N4T_B_BEZB306_0
(BETA-LACTAMASE VIM-2)
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia)
3 / 3 HIS A 447
ASN A 446
ALA A 473
2MD  A 799 (-4.2A)
2MD  A 799 (-3.8A)
None
0.74A 5n4tB-1tmoA:
undetectable
5n4tB-1tmoA:
14.09
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.
5XPR_A_K86A1201_2
(ENDOTHELIN B
RECEPTOR,ENDOLYSIN,E
NDOTHELIN B RECEPTOR)
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia)
4 / 4 ASP A 189
PRO A 652
GLU A 724
TYR A 771
None
2MD  A 800 (-4.1A)
2MD  A 799 ( 4.5A)
2MD  A 799 (-4.8A)
1.44A 5xprA-1tmoA:
0.0
5xprA-1tmoA:
20.39
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.
6GIQ_T_PCFT101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia)
4 / 8 MET A  50
GLY A 441
SER A 127
VAL A 469
None
2MD  A 799 (-3.7A)
2MD  A 799 (-3.4A)
None
0.94A 6giqL-1tmoA:
undetectable
6giqP-1tmoA:
undetectable
6giqT-1tmoA:
undetectable
6giqL-1tmoA:
20.64
6giqP-1tmoA:
13.75
6giqT-1tmoA:
6.20