SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'MTE'


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.
1E06_B_IPBB600_0
(ODORANT-BINDING
PROTEIN)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		4 / 4 ILE A 189
MET A  94
VAL A 579
GLY A 187
 None
MTE  A 702 (-4.5A)
None
None
 1.02A 1e06B-4z3yA:
undetectable		 1e06B-4z3yA:
14.67
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.
1EKJ_A_ACTA3001_0
(BETA-CARBONIC
ANHYDRASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 8 CYH A 150
GLY A 795
GLY A 796
GLN A 585
 FES  A3001 ( 2.3A)
None
MTE  A3003 (-3.8A)
None
 0.74A 1ekjA-1n5xA:
undetectable
1ekjB-1n5xA:
undetectable		 1ekjA-1n5xA:
10.37
1ekjB-1n5xA:
10.37
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.
1EKJ_E_ACTE3005_0
(BETA-CARBONIC
ANHYDRASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 7 CYH A 150
GLY A 795
GLY A 796
GLN A 585
 FES  A3001 ( 2.3A)
None
MTE  A3003 (-3.8A)
None
 0.80A 1ekjE-1n5xA:
undetectable
1ekjF-1n5xA:
undetectable		 1ekjE-1n5xA:
10.37
1ekjF-1n5xA:
10.37
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.
1EKJ_F_ACTF3008_0
(BETA-CARBONIC
ANHYDRASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 8 GLN A 585
CYH A 150
GLY A 795
GLY A 796
 None
FES  A3001 ( 2.3A)
None
MTE  A3003 (-3.8A)
 0.77A 1ekjE-1n5xA:
undetectable
1ekjF-1n5xA:
undetectable		 1ekjE-1n5xA:
10.37
1ekjF-1n5xA:
10.37
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.
1EKJ_G_ACTG3002_0
(BETA-CARBONIC
ANHYDRASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 8 CYH A 150
GLY A 795
GLY A 796
GLN A 585
 FES  A3001 ( 2.3A)
None
MTE  A3003 (-3.8A)
None
 0.78A 1ekjG-1n5xA:
undetectable
1ekjH-1n5xA:
undetectable		 1ekjG-1n5xA:
10.37
1ekjH-1n5xA:
10.37
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.
1JG3_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 11 GLY A1039
GLY A1041
GLU A1037
ARG A 793
GLY A 795
 MTE  A3003 (-3.7A)
None
None
None
None
 0.96A 1jg3A-1n5xA:
undetectable		 1jg3A-1n5xA:
10.09
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.
1JG3_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 11 GLY A1039
GLY A1041
GLU A1037
ARG A 793
GLY A 796
 MTE  A3003 (-3.7A)
None
None
None
MTE  A3003 (-3.8A)
 1.10A 1jg3A-1n5xA:
undetectable		 1jg3A-1n5xA:
10.09
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.
1JG3_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E
(Bos
taurus) 		5 / 11 GLY C1039
GLY C1041
GLU C1037
ARG C 793
GLY C 795
 MTE  C1316 (-3.3A)
None
None
None
None
 0.97A 1jg3A-3sr6C:
undetectable		 1jg3A-3sr6C:
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.
1JG3_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 3zyv AOX3
(Mus
musculus) 		5 / 11 GLY A1044
GLY A1046
GLU A1042
ARG A 798
GLY A 800
 MTE  A3003 (-3.8A)
None
None
None
None
 0.97A 1jg3A-3zyvA:
undetectable		 1jg3A-3zyvA:
10.25
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.
1JG3_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 5epg ALDEHYDE OXIDASE
(Homo
sapiens) 		5 / 11 GLY A1048
GLY A1050
GLU A1046
ARG A 802
GLY A 804
 MTE  A3003 (-3.5A)
None
None
None
None
 0.95A 1jg3A-5epgA:
undetectable		 1jg3A-5epgA:
10.60
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.
1JG3_B_ADNB550_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 11 GLY A1039
GLY A1041
GLU A1037
ARG A 793
GLY A 795
 MTE  A3003 (-3.7A)
None
None
None
None
 0.93A 1jg3B-1n5xA:
undetectable		 1jg3B-1n5xA:
10.09
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.
1JG3_B_ADNB550_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 11 GLY A1039
GLY A1041
GLU A1037
ARG A 793
GLY A 796
 MTE  A3003 (-3.7A)
None
None
None
MTE  A3003 (-3.8A)
 1.12A 1jg3B-1n5xA:
undetectable		 1jg3B-1n5xA:
10.09
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.
1JG3_B_ADNB550_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E
(Bos
taurus) 		5 / 11 GLY C1039
GLY C1041
GLU C1037
ARG C 793
GLY C 795
 MTE  C1316 (-3.3A)
None
None
None
None
 0.95A 1jg3B-3sr6C:
undetectable		 1jg3B-3sr6C:
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.
1JG3_B_ADNB550_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 3zyv AOX3
(Mus
musculus) 		5 / 11 GLY A1044
GLY A1046
GLU A1042
ARG A 798
GLY A 800
 MTE  A3003 (-3.8A)
None
None
None
None
 0.94A 1jg3B-3zyvA:
undetectable		 1jg3B-3zyvA:
10.25
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.
1JG3_B_ADNB550_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 5epg ALDEHYDE OXIDASE
(Homo
sapiens) 		5 / 11 GLY A1048
GLY A1050
GLU A1046
ARG A 802
GLY A 804
 MTE  A3003 (-3.5A)
None
None
None
None
 0.92A 1jg3B-5epgA:
undetectable		 1jg3B-5epgA:
10.60
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.
1K6C_B_MK1B902_2
(POL POLYPROTEIN)		 5epg ALDEHYDE OXIDASE
(Homo
sapiens) 		5 / 12 GLY A 809
ALA A 806
GLY A1087
ILE A1085
VAL A 803
 None
MTE  A3003 (-3.8A)
MTE  A3003 ( 3.4A)
None
None
 0.87A 1k6cB-5epgA:
undetectable		 1k6cB-5epgA:
6.32
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.
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
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)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 11 ARG A 912
PHE A 798
GLY A 800
GLN A1040
THR A1036
 MTE  A3003 ( 3.4A)
MTE  A3003 (-3.6A)
None
MTE  A3003 (-3.6A)
None
 1.44A 2dyrG-1n5xA:
0.0
2dyrN-1n5xA:
0.0
2dyrO-1n5xA:
0.0		 2dyrG-1n5xA:
5.06
2dyrN-1n5xA:
17.39
2dyrO-1n5xA:
10.68
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.
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.
2E5D_B_NCAB1502_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 2a9c SULFITE OXIDASE
(Gallus
gallus) 		4 / 7 ASP A 321
TYR A 322
ARG A 450
ALA A 297
 None
MTE  A1501 ( 4.8A)
SO4  A7503 (-3.2A)
MTE  A1501 (-3.7A)
 1.22A 2e5dA-2a9cA:
undetectable
2e5dB-2a9cA:
undetectable		 2e5dA-2a9cA:
21.30
2e5dB-2a9cA:
21.30
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.
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)		 3zyv AOX3
(Mus
musculus) 		5 / 11 ARG A 917
PHE A 803
GLY A 805
GLY A1083
GLN A1045
 MTE  A3003 ( 2.9A)
MTE  A3003 (-4.1A)
None
MTE  A3003 (-3.6A)
MTE  A3003 (-4.1A)
 1.30A 2eikG-3zyvA:
undetectable
2eikN-3zyvA:
undetectable
2eikO-3zyvA:
undetectable		 2eikG-3zyvA:
4.98
2eikN-3zyvA:
18.19
2eikO-3zyvA:
10.10
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.
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.
2EIM_N_CHDN1604_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 11 ARG A 912
PHE A 798
GLY A 800
GLN A1040
THR A1036
 MTE  A3003 ( 3.4A)
MTE  A3003 (-3.6A)
None
MTE  A3003 (-3.6A)
None
 1.45A 2eimG-1n5xA:
0.0
2eimN-1n5xA:
0.3
2eimO-1n5xA:
0.0		 2eimG-1n5xA:
5.06
2eimN-1n5xA:
17.39
2eimO-1n5xA:
10.68
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.
2QD3_A_CHDA502_0
(FERROCHELATASE)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
IRON-SULFUR
CLUSTER-BINDING
OXIDOREDUCTASE,
PUTATIVE BENZOYL-COA
REDUCTASE ELECTRON
TRANSFER PROTEIN
(Geobacter
metallireducens;
Geobacter
metallireducens) 		4 / 8 ARG E  53
SER A 185
GLY A  97
MET A  95
 None
MTE  A 703 (-3.0A)
None
None
 1.04A 2qd3A-4z3yE:
undetectable		 2qd3A-4z3yE:
17.65
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.
2VH3_B_DAHB2_1
(RANASMURFIN)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		4 / 8 ALA A  63
GLY A  96
ALA A 100
CYH A  68
 None
MTE  A 702 (-3.0A)
None
None
 0.93A 2vh3B-4z3yA:
undetectable		 2vh3B-4z3yA:
10.41
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.
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)		 3zyv AOX3
(Mus
musculus) 		5 / 11 ARG A 917
PHE A 803
GLY A 805
GLY A1083
GLN A1045
 MTE  A3003 ( 2.9A)
MTE  A3003 (-4.1A)
None
MTE  A3003 (-3.6A)
MTE  A3003 (-4.1A)
 1.38A 3ag3G-3zyvA:
undetectable
3ag3N-3zyvA:
0.3
3ag3O-3zyvA:
undetectable		 3ag3G-3zyvA:
4.98
3ag3N-3zyvA:
18.19
3ag3O-3zyvA:
10.10
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.
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
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.
3BOG_C_DHIC8_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		3 / 3 SER A 765
GLY A 795
GLY A 797
 None
None
MTE  A3003 (-3.3A)
 0.55A 3bogA-1n5xA:
undetectable
3bogC-1n5xA:
undetectable		 3bogA-1n5xA:
undetectable
3bogC-1n5xA:
undetectable
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.
3BOG_C_DHIC8_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E
(Bos
taurus) 		3 / 3 SER C 765
GLY C 795
GLY C 797
 None
None
MTE  C1316 (-3.5A)
 0.57A 3bogA-3sr6C:
undetectable
3bogC-3sr6C:
undetectable		 3bogA-3sr6C:
undetectable
3bogC-3sr6C:
undetectable
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.
3FHJ_A_TRPA1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3zyv AOX3
(Mus
musculus) 		5 / 10 GLY A1265
GLN A1045
ASP A1196
VAL A1159
VAL A1012
 MTE  A3003 ( 4.2A)
MTE  A3003 (-4.1A)
None
None
None
 1.35A 3fhjA-3zyvA:
undetectable		 3fhjA-3zyvA:
13.11
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.
3FI0_H_TRPH1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3zyv AOX3
(Mus
musculus) 		5 / 9 GLY A1265
GLN A1045
ASP A1196
VAL A1159
VAL A1012
 MTE  A3003 ( 4.2A)
MTE  A3003 (-4.1A)
None
None
None
 1.40A 3fi0H-3zyvA:
undetectable		 3fi0H-3zyvA:
13.11
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.
3I5U_A_SAMA401_0
(O-METHYLTRANSFERASE)		 2a9c SULFITE OXIDASE
(Gallus
gallus) 		5 / 12 PHE A 136
LEU A 345
GLY A 187
LEU A 202
ALA A 297
 MTE  A1501 (-3.5A)
None
None
SO4  A7503 (-3.8A)
MTE  A1501 (-3.7A)
 1.07A 3i5uA-2a9cA:
undetectable		 3i5uA-2a9cA:
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.
3I5U_A_SAMA401_0
(O-METHYLTRANSFERASE)		 3r18 SULFITE OXIDASE
(Gallus
gallus) 		5 / 12 PHE A 136
LEU A 345
GLY A 187
LEU A 202
ALA A 297
 MTE  A 501 (-3.3A)
None
None
None
MTE  A 501 (-3.9A)
 1.13A 3i5uA-3r18A:
undetectable		 3i5uA-3r18A:
24.46
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.
3JAY_A_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		 1xdq BACTERIAL SULFITE
OXIDASE
(Escherichia
coli) 		5 / 12 GLY A 232
ALA A 235
PRO A 228
ALA A 227
TYR A 160
 None
None
None
None
MTE  A 301 (-3.6A)
 0.81A 3jayA-1xdqA:
undetectable		 3jayA-1xdqA:
13.26
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.
3JZJ_A_ACRA405_1
(ACARBOSE/MALTOSE
BINDING PROTEIN GACH)		 3r18 SULFITE OXIDASE
(Gallus
gallus) 		5 / 12 GLY A 242
ARG A 298
ASP A 321
ASP A 246
ASN A 139
 MTE  A 501 ( 3.9A)
None
None
None
None
 1.20A 3jzjA-3r18A:
undetectable		 3jzjA-3r18A:
22.92
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.
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
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)		 3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E
(Bos
taurus) 		5 / 12 GLN C 767
GLY C 795
GLY C 797
LEU C 744
GLU C1037
 RMO  C1317 (-3.6A)
None
MTE  C1316 (-3.5A)
None
None
 1.09A 3kkzA-3sr6C:
undetectable		 3kkzA-3sr6C:
16.58
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.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 8 GLY A 588
CYH A  48
CYH A 148
PHE A 798
 None
FES  A3002 (-2.3A)
FES  A3001 (-2.3A)
MTE  A3003 (-3.6A)
 1.08A 3ko0D-1n5xA:
undetectable
3ko0E-1n5xA:
0.2		 3ko0D-1n5xA:
5.64
3ko0E-1n5xA:
5.64
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_D_TFPD201_1
(PROTEIN S100-A4)		 3zyv AOX3
(Mus
musculus) 		4 / 8 GLY A 595
CYH A  52
CYH A 152
PHE A 803
 None
FES  A3002 (-2.3A)
FES  A3001 (-2.2A)
MTE  A3003 (-4.1A)
 1.03A 3ko0D-3zyvA:
undetectable
3ko0E-3zyvA:
undetectable		 3ko0D-3zyvA:
5.92
3ko0E-3zyvA:
5.92
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.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 5epg ALDEHYDE OXIDASE
(Homo
sapiens) 		4 / 8 GLY A 595
CYH A  49
CYH A 149
PHE A 807
 None
FES  A3002 (-2.2A)
FES  A3001 (-2.1A)
MTE  A3003 (-3.7A)
 1.04A 3ko0D-5epgA:
undetectable
3ko0E-5epgA:
undetectable		 3ko0D-5epgA:
5.58
3ko0E-5epgA:
5.58
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.
3NXU_A_RITA600_2
(CYTOCHROME P450 3A4)		 1xdq BACTERIAL SULFITE
OXIDASE
(Escherichia
coli) 		4 / 7 ARG A 194
ILE A 206
LEU A  70
THR A  65
 MTE  A 301 (-2.8A)
None
None
None
 0.95A 3nxuA-1xdqA:
undetectable		 3nxuA-1xdqA:
22.06
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.
3O94_B_NCAB192_0
(NICOTINAMIDASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 11 PHE A1009
LEU A1014
TYR A1086
ILE A1085
SER A1082
 TEI  A3006 (-4.8A)
None
None
None
MTE  A3003 (-3.0A)
 1.50A 3o94B-1n5xA:
undetectable		 3o94B-1n5xA:
10.96
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.
3U7S_A_017A201_1
(POL POLYPROTEIN)		 5epg ALDEHYDE OXIDASE
(Homo
sapiens) 		5 / 9 GLY A 809
ALA A 806
GLY A1087
ILE A1085
VAL A 803
 None
MTE  A3003 (-3.8A)
MTE  A3003 ( 3.4A)
None
None
 0.97A 3u7sA-5epgA:
undetectable		 3u7sA-5epgA:
5.98
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.
3VQR_A_ACTA1002_0
(PUTATIVE
OXIDOREDUCTASE)		 5epg ALDEHYDE OXIDASE
(Homo
sapiens) 		4 / 6 GLY A1267
VAL A1090
ASP A1093
THR A1261
 None
MTE  A3003 (-4.3A)
None
None
 1.16A 3vqrA-5epgA:
undetectable		 3vqrA-5epgA:
15.39
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.
3VQR_B_ACTB1002_0
(PUTATIVE
OXIDOREDUCTASE)		 5epg ALDEHYDE OXIDASE
(Homo
sapiens) 		4 / 5 GLY A1267
VAL A1090
ASP A1093
THR A1261
 None
MTE  A3003 (-4.3A)
None
None
 1.16A 3vqrB-5epgA:
undetectable		 3vqrB-5epgA:
15.39
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.
4DTZ_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT 8C8)		 1xdq BACTERIAL SULFITE
OXIDASE
(Escherichia
coli) 		5 / 6 PHE A  46
ALA A  60
ALA A 191
LEU A  63
THR A  65
 MTE  A 301 (-4.7A)
None
None
None
None
 1.25A 4dtzA-1xdqA:
undetectable		 4dtzA-1xdqA:
20.25
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.
4DTZ_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT 8C8)		 1xdq BACTERIAL SULFITE
OXIDASE
(Escherichia
coli) 		5 / 6 PHE A  46
ALA A  60
ALA A 191
PRO A 192
LEU A  63
 MTE  A 301 (-4.7A)
None
None
None
None
 1.11A 4dtzA-1xdqA:
undetectable		 4dtzA-1xdqA:
20.25
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.
4EJJ_B_NCTB501_1
(CYTOCHROME P450 2A6)		 2a9c SULFITE OXIDASE
(Gallus
gallus) 		4 / 7 VAL A 290
PHE A 136
GLY A 296
PHE A 135
 None
MTE  A1501 (-3.5A)
MTE  A1501 (-3.8A)
MTE  A1501 (-4.7A)
 0.94A 4ejjB-2a9cA:
undetectable		 4ejjB-2a9cA:
21.04
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.
4EJJ_B_NCTB501_1
(CYTOCHROME P450 2A6)		 3r18 SULFITE OXIDASE
(Gallus
gallus) 		4 / 7 VAL A 290
PHE A 136
GLY A 296
PHE A 135
 None
MTE  A 501 (-3.3A)
MTE  A 501 (-3.8A)
MTE  A 501 (-4.7A)
 0.94A 4ejjB-3r18A:
undetectable		 4ejjB-3r18A:
20.35
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 5 SER A1185
GLY A 574
THR A1083
VAL A1049
 None
None
MTE  A3003 (-4.5A)
None
 1.15A 4eohA-1n5xA:
2.5		 4eohA-1n5xA:
13.16
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_1_PQN12001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
FUSION PROTEIN OF
PHOTOSYSTEM I
SUBUNIT III AND
SUBUNIT IX)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 11 SER A 111
GLY A 114
ARG A 793
GLY A1039
ALA A1053
 FES  A3001 ( 4.9A)
FES  A3001 (-4.0A)
None
MTE  A3003 (-3.7A)
None
 1.16A 4l6v1-1n5xA:
undetectable
4l6v6-1n5xA:
undetectable		 4l6v1-1n5xA:
19.91
4l6v6-1n5xA:
6.74
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.
4R20_A_AERA602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 8 ALA A1198
ASN A 887
THR A1154
SER A1080
 None
None
None
MTE  A3003 (-3.9A)
 0.76A 4r20A-1n5xA:
0.0		 4r20A-1n5xA:
16.58
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.
4R20_A_AERA602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E
(Bos
taurus) 		4 / 8 ALA C1198
ASN C 887
THR C1154
SER C1080
 None
None
None
MTE  C1316 (-4.3A)
 0.74A 4r20A-3sr6C:
undetectable		 4r20A-3sr6C:
20.11
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_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		5 / 12 ALA A 184
SER A  93
GLY A 187
ALA A 346
GLY A 350
 MTE  A 703 (-4.8A)
MTE  A 703 (-2.9A)
None
None
None
 1.27A 4r29A-4z3yA:
undetectable		 4r29A-4z3yA:
14.85
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.
4R29_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		5 / 12 ALA A 184
SER A  93
GLY A 187
ALA A 346
GLY A 350
 MTE  A 703 (-4.8A)
MTE  A 703 (-2.9A)
None
None
None
 1.25A 4r29B-4z3yA:
undetectable		 4r29B-4z3yA:
14.85
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.
4R29_C_SAMC301_0
(UNCHARACTERIZED
PROTEIN)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		5 / 12 ALA A 184
SER A  93
GLY A 187
ALA A 346
GLY A 350
 MTE  A 703 (-4.8A)
MTE  A 703 (-2.9A)
None
None
None
 1.27A 4r29C-4z3yA:
undetectable		 4r29C-4z3yA:
14.85
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.
4XE5_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 6 ILE A1063
VAL A1071
THR A1077
ARG A 793
 None
None
MTE  A3003 (-4.5A)
None
 0.96A 4xe5A-1n5xA:
0.0		 4xe5A-1n5xA:
22.15
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.
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.
5CDN_G_EVPG2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 3zyv AOX3
(Mus
musculus) 		4 / 6 GLU A 107
GLY A1044
ARG A 798
GLY A 118
 None
MTE  A3003 (-3.8A)
None
FES  A3001 (-4.4A)
 0.89A 5cdnA-3zyvA:
undetectable
5cdnB-3zyvA:
undetectable		 5cdnA-3zyvA:
16.60
5cdnB-3zyvA:
9.01
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.
5HFJ_G_SAMG301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		5 / 12 ALA A 167
THR A  82
GLY A 187
THR A  87
SER A 176
 None
None
None
None
MTE  A 703 ( 4.0A)
 1.40A 5hfjG-4z3yA:
undetectable		 5hfjG-4z3yA:
16.59
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.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		5 / 12 TYR A 546
GLY A  96
GLY A  65
LEU A  66
GLY A 536
 None
MTE  A 702 (-3.0A)
None
None
SF4  A 701 ( 4.3A)
 1.22A 5i71A-4z3yA:
undetectable		 5i71A-4z3yA:
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.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		5 / 12 TYR A 546
GLY A  96
GLY A  65
LEU A  66
GLY A 536
 None
MTE  A 702 (-3.0A)
None
None
SF4  A 701 ( 4.3A)
 1.25A 5i75A-4z3yA:
0.5		 5i75A-4z3yA:
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.
5K7U_A_SAMA601_1
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 1xdq BACTERIAL SULFITE
OXIDASE
(Escherichia
coli) 		3 / 3 ASP A  38
ASN A  44
GLN A 188
 None
MTE  A 301 (-4.0A)
None
 0.83A 5k7uA-1xdqA:
undetectable		 5k7uA-1xdqA:
20.79
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.
5K7U_A_SAMA601_1
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		3 / 3 ASP A 352
ASN A 426
GLN A 433
 MTE  A 703 (-3.7A)
None
None
 0.81A 5k7uA-4z3yA:
undetectable		 5k7uA-4z3yA:
15.95
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.
5KOX_A_RFPA502_2
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		 3zyv AOX3
(Mus
musculus) 		3 / 3 VAL A 905
ARG A 917
PRO A 922
 None
MTE  A3003 ( 2.9A)
None
 0.83A 5koxA-3zyvA:
undetectable		 5koxA-3zyvA:
16.84
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.
5SXQ_A_NIZA808_1
(CATALASE-PEROXIDASE)		 3zyv AOX3
(Mus
musculus) 		4 / 8 GLU A1042
GLY A 118
GLN A 116
THR A 115
 None
FES  A3001 (-4.4A)
MTE  A3003 (-4.0A)
None
 0.99A 5sxqA-3zyvA:
undetectable		 5sxqA-3zyvA:
20.06
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.
5SXT_A_NIZA807_1
(CATALASE-PEROXIDASE)		 3zyv AOX3
(Mus
musculus) 		4 / 8 GLU A1042
GLY A 118
GLN A 116
THR A 115
 None
FES  A3001 (-4.4A)
MTE  A3003 (-4.0A)
None
 0.99A 5sxtA-3zyvA:
undetectable		 5sxtA-3zyvA:
19.96
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.
5SXT_B_NIZB808_1
(CATALASE-PEROXIDASE)		 3zyv AOX3
(Mus
musculus) 		4 / 8 GLU A1042
GLY A 118
GLN A 116
THR A 115
 None
FES  A3001 (-4.4A)
MTE  A3003 (-4.0A)
None
 0.96A 5sxtB-3zyvA:
undetectable		 5sxtB-3zyvA:
19.96
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.
5VC0_A_RITA602_2
(CYTOCHROME P450 3A4)		 1xdq BACTERIAL SULFITE
OXIDASE
(Escherichia
coli) 		4 / 7 ARG A 194
ILE A 206
LEU A  70
THR A  65
 MTE  A 301 (-2.8A)
None
None
None
 0.91A 5vc0A-1xdqA:
undetectable		 5vc0A-1xdqA:
22.18
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.
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
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 805
GLY A1083
GLN A1045
 MTE  A3003 ( 2.9A)
MTE  A3003 (-4.1A)
None
MTE  A3003 (-3.6A)
MTE  A3003 (-4.1A)
 1.49A 5x19G-3zyvA:
undetectable
5x19N-3zyvA:
2.2
5x19O-3zyvA:
undetectable		 5x19G-3zyvA:
4.98
5x19N-3zyvA:
18.19
5x19O-3zyvA:
10.10
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.
5X7F_A_SAMA301_0
(PUTATIVE
O-METHYLTRANSFERASE
RV1220C)		 3zyv AOX3
(Mus
musculus) 		5 / 12 GLY A1087
GLY A1265
GLY A1263
ALA A1203
GLN A1206
 MTE  A3003 (-2.8A)
MTE  A3003 ( 4.2A)
None
None
None
 1.23A 5x7fA-3zyvA:
undetectable		 5x7fA-3zyvA:
10.73
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.
5ZVG_A_SAMA401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		5 / 12 ALA A 175
GLY A 353
SER A  84
ASP A 195
ARG A 171
 None
MTE  A 703 (-3.6A)
None
None
None
 1.34A 5zvgA-4z3yA:
undetectable		 5zvgA-4z3yA:
22.32
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.
5ZVG_B_SAMB401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		5 / 12 ALA A 175
GLY A 353
SER A  84
ASP A 195
ARG A 171
 None
MTE  A 703 (-3.6A)
None
None
None
 1.33A 5zvgB-4z3yA:
undetectable		 5zvgB-4z3yA:
22.32
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.
6AG0_A_ACRA607_0
(ALPHA-AMYLASE)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		4 / 4 ARG A 186
SER A 185
ASP A 352
ASN A 456
 None
MTE  A 703 (-3.0A)
MTE  A 703 (-3.7A)
None
 1.20A 6ag0A-4z3yA:
undetectable		 6ag0A-4z3yA:
8.88
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.
6CLX_A_SAMA401_0
(O-METHYLTRANSFERASE)		 3zyv AOX3
(Mus
musculus) 		5 / 12 ASP A1089
ALA A1022
GLY A1083
GLY A1087
VAL A1080
 None
None
MTE  A3003 (-3.6A)
MTE  A3003 (-2.8A)
None
 1.19A 6clxA-3zyvA:
undetectable		 6clxA-3zyvA:
14.01
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.
6F6J_D_ACTD404_0
(L-LYSINE
3-HYDROXYLASE)		 2a9c SULFITE OXIDASE
(Gallus
gallus) 		4 / 6 GLN A 318
TRP A 317
HIS A 140
ALA A 297
 None
None
MTE  A1501 (-3.6A)
MTE  A1501 (-3.7A)
 1.47A 6f6jC-2a9cA:
undetectable
6f6jD-2a9cA:
undetectable		 6f6jC-2a9cA:
23.89
6f6jD-2a9cA:
23.89
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.
6HUP_E_DZPE502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		 3r18 SULFITE OXIDASE
(Gallus
gallus) 		5 / 10 LEU A 124
PRO A 119
LEU A 107
THR A 137
LEU A 183
 None
None
None
MTE  A 501 (-4.2A)
None
 1.41A 6hupD-3r18A:
0.0
6hupE-3r18A:
1.8		 6hupD-3r18A:
10.76
6hupE-3r18A:
10.92
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.
6JMJ_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 3zyv AOX3
(Mus
musculus) 		4 / 5 GLY A1040
THR A1082
SER A 770
SER A 771
 None
MTE  A3003 (-4.3A)
None
None
 1.08A 6jmjA-3zyvA:
undetectable		 6jmjA-3zyvA:
8.87