SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'MOS'


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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FO4_A_SALA3005_1
(XANTHINE
DEHYDROGENASE)
1n5x XANTHINE
DEHYDROGENASE

(Bos
taurus)
5 / 9 SER A 876
PHE A 914
VAL A1011
LEU A1014
ALA A1078
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-4.8A)
None
MOS  A3004 (-3.0A)
1.20A 1fo4A-1n5xA:
46.6
1fo4A-1n5xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FO4_B_SALB4005_1
(XANTHINE
DEHYDROGENASE)
1n5x XANTHINE
DEHYDROGENASE

(Bos
taurus)
7 / 7 GLU A 802
SER A 876
ARG A 880
PHE A 914
THR A1010
VAL A1011
ALA A1078
TEI  A3006 ( 3.2A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
TEI  A3006 (-4.8A)
MOS  A3004 (-3.0A)
0.27A 1fo4B-1n5xA:
46.5
1fo4B-1n5xA:
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.
1GX8_A_RTLA1163_0
(BETA-LACTOGLOBULIN)
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri)
5 / 9 LEU A 243
GLU A 216
LYS A  85
ILE A  83
VAL A 316
MOS  B 920 ( 4.9A)
None
None
NIO  B5661 ( 4.7A)
NO3  A5658 (-4.6A)
1.32A 1gx8A-3hrdA:
undetectable
1gx8A-3hrdA:
16.47
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.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
3zyv AOX3
(Mus
musculus)
5 / 10 GLY A1083
PHE A 919
GLU A1266
GLY A1013
THR A1081
MTE  A3003 (-3.6A)
None
MOS  A3004 (-4.3A)
None
None
1.32A 1pwyE-3zyvA:
undetectable
1pwyE-3zyvA:
12.41
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.
1V54_O_CHDO3085_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE II
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART)
5epg ALDEHYDE OXIDASE
(Homo
sapiens)
5 / 11 ARG A 921
PHE A 807
GLY A 808
GLY A1088
GLN A1049
MTE  A3003 (-3.7A)
MTE  A3003 (-3.7A)
MOS  A3005 (-4.0A)
MOS  A3005 ( 3.4A)
MTE  A3003 (-4.4A)
0.97A 1v54G-5epgA:
undetectable
1v54N-5epgA:
undetectable
1v54O-5epgA:
undetectable
1v54G-5epgA:
5.22
1v54N-5epgA:
16.15
1v54O-5epgA:
11.18
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.
1V55_O_CHDO3085_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE II
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART)
5epg ALDEHYDE OXIDASE
(Homo
sapiens)
5 / 11 ARG A 921
PHE A 807
GLY A 808
GLY A1088
GLN A1049
MTE  A3003 (-3.7A)
MTE  A3003 (-3.7A)
MOS  A3005 (-4.0A)
MOS  A3005 ( 3.4A)
MTE  A3003 (-4.4A)
1.00A 1v55G-5epgA:
undetectable
1v55N-5epgA:
0.0
1v55O-5epgA:
undetectable
1v55G-5epgA:
5.22
1v55N-5epgA:
16.15
1v55O-5epgA:
11.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1WYG_A_SALA4005_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
1n5x XANTHINE
DEHYDROGENASE

(Bos
taurus)
10 / 10 GLU A 802
LEU A 873
SER A 876
ARG A 880
PHE A 914
PHE A1009
THR A1010
ALA A1078
ALA A1079
GLU A1261
TEI  A3006 ( 3.2A)
TEI  A3006 (-4.8A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-4.8A)
TEI  A3006 (-2.8A)
MOS  A3004 (-3.0A)
TEI  A3006 ( 3.8A)
MOS  A3004 ( 3.7A)
0.45A 1wygA-1n5xA:
44.6
1wygA-1n5xA:
86.34
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.
2C49_A_ADNA1301_1
(SUGAR KINASE MJ0406)
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri)
5 / 12 ALA B  86
GLY B  16
ASN B  22
THR A 318
PHE A 353
NIO  B5661 ( 3.7A)
None
None
None
MOS  B 920 (-3.9A)
1.04A 2c49A-3hrdB:
undetectable
2c49A-3hrdB:
24.72
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.
2DYR_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)
5epg ALDEHYDE OXIDASE
(Homo
sapiens)
5 / 11 ARG A 921
PHE A 807
GLY A 808
GLY A1088
GLN A1049
MTE  A3003 (-3.7A)
MTE  A3003 (-3.7A)
MOS  A3005 (-4.0A)
MOS  A3005 ( 3.4A)
MTE  A3003 (-4.4A)
1.00A 2dyrG-5epgA:
undetectable
2dyrN-5epgA:
undetectable
2dyrO-5epgA:
undetectable
2dyrG-5epgA:
5.22
2dyrN-5epgA:
16.15
2dyrO-5epgA:
11.18
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.
2EIJ_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)
5epg ALDEHYDE OXIDASE
(Homo
sapiens)
5 / 11 ARG A 921
PHE A 807
GLY A 808
GLY A1088
GLN A1049
MTE  A3003 (-3.7A)
MTE  A3003 (-3.7A)
MOS  A3005 (-4.0A)
MOS  A3005 ( 3.4A)
MTE  A3003 (-4.4A)
1.01A 2eijG-5epgA:
undetectable
2eijN-5epgA:
0.0
2eijO-5epgA:
undetectable
2eijG-5epgA:
5.22
2eijN-5epgA:
16.15
2eijO-5epgA:
11.18
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.
2EIK_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)
5epg ALDEHYDE OXIDASE
(Homo
sapiens)
5 / 11 ARG A 921
PHE A 807
GLY A 808
GLY A1088
GLN A1049
MTE  A3003 (-3.7A)
MTE  A3003 (-3.7A)
MOS  A3005 (-4.0A)
MOS  A3005 ( 3.4A)
MTE  A3003 (-4.4A)
1.01A 2eikG-5epgA:
undetectable
2eikN-5epgA:
0.0
2eikO-5epgA:
undetectable
2eikG-5epgA:
5.22
2eikN-5epgA:
16.15
2eikO-5epgA:
11.18
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.
2EIL_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)
5epg ALDEHYDE OXIDASE
(Homo
sapiens)
5 / 11 ARG A 921
PHE A 807
GLY A 808
GLY A1088
GLN A1049
MTE  A3003 (-3.7A)
MTE  A3003 (-3.7A)
MOS  A3005 (-4.0A)
MOS  A3005 ( 3.4A)
MTE  A3003 (-4.4A)
0.99A 2eilG-5epgA:
undetectable
2eilN-5epgA:
undetectable
2eilO-5epgA:
undetectable
2eilG-5epgA:
5.22
2eilN-5epgA:
16.15
2eilO-5epgA:
11.18
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.
2Y6R_B_CTCB1385_0
(TETX2 PROTEIN)
5epg ALDEHYDE OXIDASE
(Homo
sapiens)
4 / 8 GLN A 927
PHE A 923
GLY A 924
GLY A 809
None
MOS  A3005 (-4.2A)
None
None
0.70A 2y6rB-5epgA:
undetectable
2y6rB-5epgA:
14.51
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)
1n5x XANTHINE
DEHYDROGENASE

(Bos
taurus)
4 / 5 LEU A 873
GLN A 767
THR A 803
THR A1010
TEI  A3006 (-4.8A)
MOS  A3004 (-3.8A)
None
TEI  A3006 (-2.8A)
1.07A 2zj0B-1n5xA:
undetectable
2zj0B-1n5xA:
17.68
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.
3AG3_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)
5epg ALDEHYDE OXIDASE
(Homo
sapiens)
5 / 11 GLY A1088
GLN A1049
ARG A 921
PHE A 807
GLY A 808
MOS  A3005 ( 3.4A)
MTE  A3003 (-4.4A)
MTE  A3003 (-3.7A)
MTE  A3003 (-3.7A)
MOS  A3005 (-4.0A)
1.06A 3ag3A-5epgA:
0.2
3ag3B-5epgA:
undetectable
3ag3T-5epgA:
undetectable
3ag3A-5epgA:
16.15
3ag3B-5epgA:
11.18
3ag3T-5epgA:
5.22
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.
3AG3_O_CHDO229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)
5epg ALDEHYDE OXIDASE
(Homo
sapiens)
5 / 11 ARG A 921
PHE A 807
GLY A 808
GLY A1088
GLN A1049
MTE  A3003 (-3.7A)
MTE  A3003 (-3.7A)
MOS  A3005 (-4.0A)
MOS  A3005 ( 3.4A)
MTE  A3003 (-4.4A)
0.97A 3ag3G-5epgA:
undetectable
3ag3N-5epgA:
undetectable
3ag3O-5epgA:
undetectable
3ag3G-5epgA:
5.22
3ag3N-5epgA:
16.15
3ag3O-5epgA:
11.18
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.
3ASO_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)
5epg ALDEHYDE OXIDASE
(Homo
sapiens)
5 / 11 GLY A1088
GLN A1049
ARG A 921
PHE A 807
GLY A 808
MOS  A3005 ( 3.4A)
MTE  A3003 (-4.4A)
MTE  A3003 (-3.7A)
MTE  A3003 (-3.7A)
MOS  A3005 (-4.0A)
1.00A 3asoA-5epgA:
0.0
3asoB-5epgA:
undetectable
3asoT-5epgA:
undetectable
3asoA-5epgA:
16.15
3asoB-5epgA:
11.18
3asoT-5epgA:
5.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AX7_A_SALA1336_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
1n5x XANTHINE
DEHYDROGENASE

(Bos
taurus)
5 / 8 SER A 876
PHE A 914
VAL A1011
LEU A1014
ALA A1078
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-4.8A)
None
MOS  A3004 (-3.0A)
1.12A 3ax7A-1n5xA:
44.4
3ax7A-1n5xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AX7_B_SALB1336_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
1n5x XANTHINE
DEHYDROGENASE

(Bos
taurus)
9 / 9 GLU A 802
SER A 876
ARG A 880
PHE A 914
THR A1010
VAL A1011
LEU A1014
ALA A1078
ALA A1079
TEI  A3006 ( 3.2A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
TEI  A3006 (-4.8A)
None
MOS  A3004 (-3.0A)
TEI  A3006 ( 3.8A)
0.28A 3ax7B-1n5xA:
44.6
3ax7B-1n5xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AX9_A_SALA1341_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
1n5x XANTHINE
DEHYDROGENASE

(Bos
taurus)
4 / 8 SER A 876
PHE A 914
VAL A1011
ALA A1078
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-4.8A)
MOS  A3004 (-3.0A)
0.99A 3ax9A-1n5xA:
44.2
3ax9A-1n5xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AX9_B_SALB1340_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
1n5x XANTHINE
DEHYDROGENASE

(Bos
taurus)
8 / 8 GLU A 802
LEU A 873
SER A 876
ARG A 880
PHE A 914
THR A1010
ALA A1078
ALA A1079
TEI  A3006 ( 3.2A)
TEI  A3006 (-4.8A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
MOS  A3004 (-3.0A)
TEI  A3006 ( 3.8A)
0.25A 3ax9B-1n5xA:
44.0
3ax9B-1n5xA:
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.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)
1n5x XANTHINE
DEHYDROGENASE

(Bos
taurus)
5 / 12 GLN A 767
GLY A 795
GLY A 797
LEU A 744
GLU A1037
MOS  A3004 (-3.8A)
None
MTE  A3003 (-3.3A)
FES  A3001 (-4.0A)
None
1.06A 3kkzA-1n5xA:
undetectable
3kkzA-1n5xA:
11.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NS1_C_PM6C1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
1n5x XANTHINE
DEHYDROGENASE

(Bos
taurus)
6 / 6 GLU A 802
ARG A 880
PHE A 914
THR A1010
ALA A1078
ALA A1079
TEI  A3006 ( 3.2A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
MOS  A3004 (-3.0A)
TEI  A3006 ( 3.8A)
0.35A 3ns1C-1n5xA:
60.7
3ns1C-1n5xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NS1_L_PM6L1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
1n5x XANTHINE
DEHYDROGENASE

(Bos
taurus)
8 / 8 GLU A 802
SER A 876
ARG A 880
PHE A 914
THR A1010
LEU A1014
ALA A1078
ALA A1079
TEI  A3006 ( 3.2A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
None
MOS  A3004 (-3.0A)
TEI  A3006 ( 3.8A)
0.32A 3ns1L-1n5xA:
54.6
3ns1L-1n5xA:
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.
3PP1_A_ACTA590_0
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)
3hrd NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri)
4 / 5 GLU B 289
LEU B 292
GLN B 223
GLY B 227
MOS  B 920 (-2.7A)
None
MCN  B 921 (-3.0A)
None
1.22A 3pp1A-3hrdB:
undetectable
3pp1A-3hrdB:
21.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UNA_A_SALA1340_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
1n5x XANTHINE
DEHYDROGENASE

(Bos
taurus)
5 / 9 SER A 876
PHE A 914
VAL A1011
LEU A1014
ALA A1078
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-4.8A)
None
MOS  A3004 (-3.0A)
1.20A 3unaA-1n5xA:
49.5
3unaA-1n5xA:
99.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UNA_B_SALB1340_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
1n5x XANTHINE
DEHYDROGENASE

(Bos
taurus)
5 / 9 SER A 876
PHE A 914
VAL A1011
LEU A1014
ALA A1078
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-4.8A)
None
MOS  A3004 (-3.0A)
1.18A 3unaB-1n5xA:
46.7
3unaB-1n5xA:
99.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UNC_A_SALA1338_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
1n5x XANTHINE
DEHYDROGENASE

(Bos
taurus)
5 / 9 SER A 876
PHE A 914
VAL A1011
LEU A1014
ALA A1078
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-4.8A)
None
MOS  A3004 (-3.0A)
1.16A 3uncA-1n5xA:
48.3
3uncA-1n5xA:
99.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UNC_B_SALB1338_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
1n5x XANTHINE
DEHYDROGENASE

(Bos
taurus)
5 / 9 SER A 876
PHE A 914
VAL A1011
LEU A1014
ALA A1078
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-4.8A)
None
MOS  A3004 (-3.0A)
1.15A 3uncB-1n5xA:
46.8
3uncB-1n5xA:
99.92
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.
3V3N_B_MIYB2001_1
(TETX2 PROTEIN)
5epg ALDEHYDE OXIDASE
(Homo
sapiens)
4 / 8 GLN A 927
PHE A 923
GLY A 924
GLY A 809
None
MOS  A3005 (-4.2A)
None
None
0.62A 3v3nB-5epgA:
undetectable
3v3nB-5epgA:
13.99
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.
3V3N_C_MIYC2001_1
(TETX2 PROTEIN)
5epg ALDEHYDE OXIDASE
(Homo
sapiens)
4 / 8 GLN A 927
PHE A 923
GLY A 924
GLY A 809
None
MOS  A3005 (-4.2A)
None
None
0.61A 3v3nC-5epgA:
undetectable
3v3nC-5epgA:
13.99
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.
4MMF_A_29QA603_1
(TRANSPORTER)
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri)
5 / 9 TYR B  13
GLY A 352
PHE A 353
SER B  87
GLY B  16
None
None
MOS  B 920 (-3.9A)
MCN  B 921 (-4.2A)
None
1.27A 4mmfA-3hrdB:
undetectable
4mmfA-3hrdB:
22.39
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.
4QOI_B_ML1B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri)
5 / 11 GLY A 240
GLY A 241
GLY B 288
GLN B  47
ILE B  45
MOS  B 920 ( 3.3A)
None
MCN  B 921 (-3.6A)
MCN  B 921 (-3.8A)
MCN  B 921 (-3.9A)
1.19A 4qoiA-3hrdA:
undetectable
4qoiB-3hrdA:
undetectable
4qoiA-3hrdA:
21.41
4qoiB-3hrdA:
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.
4R29_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN)
1n5x XANTHINE
DEHYDROGENASE

(Bos
taurus)
5 / 12 ALA A1258
GLY A1006
GLU A 802
ALA A 910
GLY A 913
None
None
TEI  A3006 ( 3.2A)
MOS  A3004 ( 4.7A)
None
1.08A 4r29B-1n5xA:
0.0
4r29B-1n5xA:
10.19
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.
5B1B_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)
3zyv AOX3
(Mus
musculus)
5 / 11 GLY A1083
GLN A1045
ARG A 917
PHE A 803
GLY A 804
MTE  A3003 (-3.6A)
MTE  A3003 (-4.1A)
MTE  A3003 ( 2.9A)
MTE  A3003 (-4.1A)
MOS  A3004 (-2.8A)
1.10A 5b1bA-3zyvA:
2.2
5b1bB-3zyvA:
undetectable
5b1bT-3zyvA:
undetectable
5b1bA-3zyvA:
18.19
5b1bB-3zyvA:
10.10
5b1bT-3zyvA:
4.98
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.
5B1B_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)
5epg ALDEHYDE OXIDASE
(Homo
sapiens)
5 / 11 GLY A1087
GLN A1049
ARG A 921
PHE A 807
GLY A 808
MTE  A3003 ( 3.4A)
MTE  A3003 (-4.4A)
MTE  A3003 (-3.7A)
MTE  A3003 (-3.7A)
MOS  A3005 (-4.0A)
1.14A 5b1bA-5epgA:
2.3
5b1bB-5epgA:
undetectable
5b1bT-5epgA:
undetectable
5b1bA-5epgA:
16.15
5b1bB-5epgA:
11.18
5b1bT-5epgA:
5.22
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.
5B1B_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)
5epg ALDEHYDE OXIDASE
(Homo
sapiens)
5 / 11 GLY A1088
GLN A1049
ARG A 921
PHE A 807
GLY A 808
MOS  A3005 ( 3.4A)
MTE  A3003 (-4.4A)
MTE  A3003 (-3.7A)
MTE  A3003 (-3.7A)
MOS  A3005 (-4.0A)
1.17A 5b1bA-5epgA:
2.3
5b1bB-5epgA:
undetectable
5b1bT-5epgA:
undetectable
5b1bA-5epgA:
16.15
5b1bB-5epgA:
11.18
5b1bT-5epgA:
5.22
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.
5M54_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri)
5 / 12 HIS A 183
ALA A 349
SER A 311
PHE A 353
GLN B  47
None
SE  A 922 ( 3.7A)
None
MOS  B 920 (-3.9A)
MCN  B 921 (-3.8A)
1.27A 5m54B-3hrdA:
undetectable
5m54B-3hrdA:
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.
5X19_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)
5epg ALDEHYDE OXIDASE
(Homo
sapiens)
5 / 11 GLY A1088
GLN A1049
ARG A 921
PHE A 807
GLY A 808
MOS  A3005 ( 3.4A)
MTE  A3003 (-4.4A)
MTE  A3003 (-3.7A)
MTE  A3003 (-3.7A)
MOS  A3005 (-4.0A)
1.25A 5x19A-5epgA:
undetectable
5x19B-5epgA:
undetectable
5x19T-5epgA:
undetectable
5x19A-5epgA:
16.15
5x19B-5epgA:
11.18
5x19T-5epgA:
5.22
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.
5X19_G_CHDG104_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)
3zyv AOX3
(Mus
musculus)
5 / 11 ARG A 917
PHE A 803
GLY A 804
GLY A1083
GLN A1045
MTE  A3003 ( 2.9A)
MTE  A3003 (-4.1A)
MOS  A3004 (-2.8A)
MTE  A3003 (-3.6A)
MTE  A3003 (-4.1A)
1.28A 5x19G-3zyvA:
undetectable
5x19N-3zyvA:
2.2
5x19O-3zyvA:
undetectable
5x19G-3zyvA:
4.98
5x19N-3zyvA:
18.19
5x19O-3zyvA:
10.10