SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'TNF'


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.
2G72_B_SAMB2002_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4
(Shewanella
oneidensis) 		5 / 12 TYR A  52
GLN A 108
ILE A 105
VAL A  94
ALA A  66
 None
FMN  A 400 (-3.0A)
None
None
TNF  A 401 ( 2.9A)
 1.25A 2g72B-5k1uA:
undetectable		 2g72B-5k1uA:
20.60
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.
2X7H_A_PFNA1375_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4
(Shewanella
oneidensis) 		4 / 5 SER A 236
PHE A 253
VAL A 290
TYR A 240
 None
None
None
TNF  A 402 (-4.5A)
 1.42A 2x7hA-5k1uA:
undetectable		 2x7hA-5k1uA:
22.82
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.
2X7H_B_PFNB1372_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4
(Shewanella
oneidensis) 		4 / 5 SER A 236
PHE A 253
VAL A 290
TYR A 240
 None
None
None
TNF  A 402 (-4.5A)
 1.41A 2x7hB-5k1uA:
undetectable		 2x7hB-5k1uA:
22.82
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.
3E23_A_SAMA221_1
(UNCHARACTERIZED
PROTEIN RPA2492)		 5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4
(Shewanella
oneidensis) 		3 / 3 TYR A 240
ASP A 190
HIS A 269
 TNF  A 402 (-4.5A)
None
None
 0.91A 3e23A-5k1uA:
undetectable		 3e23A-5k1uA:
24.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UPW_A_NCAA412_0
(OLD YELLOW ENZYME
2.6 (OYE2.6), NADPH
DEHYDROGENASE)		 5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4
(Shewanella
oneidensis) 		5 / 9 THR A  35
ALA A  66
HIS A 182
TYR A 187
PHE A 241
 TNF  A 401 ( 3.4A)
TNF  A 401 ( 2.9A)
TNF  A 401 ( 3.5A)
TNF  A 401 (-3.6A)
TNF  A 401 (-3.3A)
 0.18A 3upwA-5k1uA:
43.2		 3upwA-5k1uA:
34.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A3U_A_NCAA1359_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		 5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4
(Shewanella
oneidensis) 		5 / 7 THR A  35
TRP A 110
HIS A 182
ASN A 185
TYR A 187
 TNF  A 401 ( 3.4A)
TNF  A 401 (-3.5A)
TNF  A 401 ( 3.5A)
TNF  A 401 ( 3.0A)
TNF  A 401 (-3.6A)
 0.33A 4a3uA-5k1uA:
49.3		 4a3uA-5k1uA:
38.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A3U_B_NCAB1359_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		 5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4
(Shewanella
oneidensis) 		5 / 7 THR A  35
TRP A 110
HIS A 182
ASN A 185
TYR A 187
 TNF  A 401 ( 3.4A)
TNF  A 401 (-3.5A)
TNF  A 401 ( 3.5A)
TNF  A 401 ( 3.0A)
TNF  A 401 (-3.6A)
 0.30A 4a3uB-5k1uA:
49.4		 4a3uB-5k1uA:
38.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		 5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4
(Shewanella
oneidensis) 		5 / 7 THR A  35
TRP A 110
HIS A 182
ASN A 185
TYR A 187
 TNF  A 401 ( 3.4A)
TNF  A 401 (-3.5A)
TNF  A 401 ( 3.5A)
TNF  A 401 ( 3.0A)
TNF  A 401 (-3.6A)
 0.40A 4awuA-5k1uA:
49.2		 4awuA-5k1uA:
41.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		 5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4
(Shewanella
oneidensis) 		4 / 6 THR A  35
TYR A  76
HIS A 182
TYR A 187
 TNF  A 401 ( 3.4A)
None
TNF  A 401 ( 3.5A)
TNF  A 401 (-3.6A)
 0.79A 4df2A-5k1uA:
43.2		 4df2A-5k1uA:
34.55
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		 5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4
(Shewanella
oneidensis) 		4 / 6 PRO A  33
ARG A 234
GLY A 183
ALA A  66
 FMN  A 400 (-3.7A)
FMN  A 400 (-2.9A)
None
TNF  A 401 ( 2.9A)
 0.97A 4g0uA-5k1uA:
undetectable		 4g0uA-5k1uA:
19.40
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.
4JX1_E_CAME502_0
(CAMPHOR
5-MONOOXYGENASE)		 5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4
(Shewanella
oneidensis) 		4 / 5 TYR A 240
THR A 285
PHE A 279
ILE A 270
 TNF  A 402 (-4.5A)
None
None
None
 1.14A 4jx1E-5k1uA:
undetectable		 4jx1E-5k1uA:
23.83
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.
5HWA_A_GCSA302_1
(CHITOSANASE)		 5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4
(Shewanella
oneidensis) 		4 / 7 ASP A 249
TYR A 281
GLY A 238
TYR A 240
 None
None
None
TNF  A 402 (-4.5A)
 1.09A 5hwaA-5k1uA:
undetectable		 5hwaA-5k1uA:
22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V4V_A_NCAA402_0
(NADPH DEHYDROGENASE
3)		 5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4
(Shewanella
oneidensis) 		6 / 8 THR A  35
TRP A 110
HIS A 182
ASN A 185
TYR A 187
PHE A 241
 TNF  A 401 ( 3.4A)
TNF  A 401 (-3.5A)
TNF  A 401 ( 3.5A)
TNF  A 401 ( 3.0A)
TNF  A 401 (-3.6A)
TNF  A 401 (-3.3A)
 0.34A 5v4vA-5k1uA:
44.7		 5v4vA-5k1uA:
36.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V4V_B_NCAB402_0
(NADPH DEHYDROGENASE
3)		 5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4
(Shewanella
oneidensis) 		6 / 8 THR A  35
TRP A 110
HIS A 182
ASN A 185
TYR A 187
PHE A 241
 TNF  A 401 ( 3.4A)
TNF  A 401 (-3.5A)
TNF  A 401 ( 3.5A)
TNF  A 401 ( 3.0A)
TNF  A 401 (-3.6A)
TNF  A 401 (-3.3A)
 0.32A 5v4vB-5k1uA:
44.7		 5v4vB-5k1uA:
36.30