SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2x0i'

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.
1C4D_C_DVAC6_0
(GRAMICIDIN A)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		3 / 3 ALA A 298
VAL A 160
TRP A 150
 None
 0.87A 1c4dC-2x0iA:
undetectable
1c4dD-2x0iA:
undetectable		 1c4dC-2x0iA:
4.15
1c4dD-2x0iA:
4.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		7 / 9 VAL A  27
GLY A  28
ASP A  53
ILE A  54
TYR A  85
ALA A  98
ILE A 119
 None
NAI  A1000 ( 4.2A)
NAI  A1000 (-2.8A)
NAI  A1000 (-4.3A)
None
NAI  A1000 (-3.5A)
NAI  A1000 (-3.7A)
 0.75A 1cetA-2x0iA:
38.4		 1cetA-2x0iA:
32.19
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.
1IWI_A_CAMA418_0
(CYTOCHROME P450-CAM)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 8 THR A 271
LEU A 293
VAL A 261
VAL A  95
 None
 0.90A 1iwiA-2x0iA:
undetectable		 1iwiA-2x0iA:
21.13
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.
1NV8_B_SAMB301_0
(HEMK PROTEIN)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 12 ILE A 120
GLY A 162
ILE A 135
THR A 139
ALA A 286
 None
None
None
NAI  A1000 (-4.4A)
None
 1.05A 1nv8B-2x0iA:
6.5		 1nv8B-2x0iA:
24.92
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.
1T85_A_CAMA422_0
(CYTOCHROME P450-CAM)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 7 THR A 271
LEU A 293
VAL A 261
VAL A  95
 None
 0.91A 1t85A-2x0iA:
undetectable		 1t85A-2x0iA:
21.43
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.
1TKQ_B_DVAB6_0
(GRAMICIDIN A)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		3 / 3 ALA A 298
VAL A 160
TRP A 150
 None
 0.93A 1tkqB-2x0iA:
undetectable		 1tkqB-2x0iA:
6.99
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.
2OXT_B_SAMB300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 12 GLY A 162
GLY A 164
THR A 146
ILE A 120
VAL A  96
 None
NAI  A1000 ( 4.1A)
None
None
None
 0.74A 2oxtB-2x0iA:
4.9		 2oxtB-2x0iA:
22.00
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 12 GLY A 288
GLY A 193
ASN A 165
GLY A 164
ASP A 168
 None
None
None
NAI  A1000 ( 4.1A)
None
 1.01A 2pkkA-2x0iA:
6.1		 2pkkA-2x0iA:
25.61
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.
2WD9_A_IBPA1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 7 ILE A 274
LEU A 275
VAL A 289
GLY A 288
 None
 0.73A 2wd9A-2x0iA:
3.1		 2wd9A-2x0iA:
18.91
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.
2WD9_B_IBPB1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 8 ILE A 274
LEU A 275
VAL A 289
GLY A 288
 None
 0.74A 2wd9B-2x0iA:
2.8		 2wd9B-2x0iA:
18.91
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.
2ZUH_A_CAMA422_0
(CAMPHOR
5-MONOOXYGENASE)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 6 THR A 271
LEU A 293
VAL A 261
VAL A  95
 None
 0.93A 2zuhA-2x0iA:
undetectable		 2zuhA-2x0iA:
21.13
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.
3UBO_A_ADNA353_1
(ADENOSINE KINASE)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		6 / 12 ASP A 143
GLY A 288
GLY A 193
ASN A 165
GLY A 164
ASP A 168
 None
None
None
None
NAI  A1000 ( 4.1A)
None
 1.37A 3uboA-2x0iA:
6.2		 3uboA-2x0iA:
24.80
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.
3WDM_B_ADNB301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 10 ALA A  29
GLY A  33
LEU A  66
LEU A  51
ILE A  49
 None
 1.14A 3wdmB-2x0iA:
3.2		 3wdmB-2x0iA:
23.68
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.
4KAD_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 12 ASP A 143
GLY A 288
GLY A 193
ASN A 165
ASP A 168
 None
 1.10A 4kadB-2x0iA:
6.6		 4kadB-2x0iA:
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.
4KTT_A_SAMA405_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 8 ALA A 202
ASP A 304
ILE A 305
ILE A 268
 None
 0.86A 4kttB-2x0iA:
undetectable		 4kttB-2x0iA:
23.10
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.
4KTT_C_SAMC404_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 8 ALA A 202
ASP A 304
ILE A 305
ILE A 268
 None
 0.89A 4kttD-2x0iA:
undetectable		 4kttD-2x0iA:
23.10
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.
4L4A_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 8 THR A 271
LEU A 293
VAL A 261
VAL A  95
 None
 0.86A 4l4aA-2x0iA:
undetectable		 4l4aA-2x0iA:
21.92
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.
4N09_C_ADNC401_1
(ADENOSINE KINASE)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 12 LEU A 205
GLY A 193
ALA A 202
LEU A 307
GLY A 164
 None
None
None
None
NAI  A1000 ( 4.1A)
 0.92A 4n09C-2x0iA:
6.2		 4n09C-2x0iA:
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.
4NDN_A_SAMA407_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 8 ALA A 202
ASP A 304
ILE A 305
ILE A 268
 None
 0.89A 4ndnB-2x0iA:
undetectable		 4ndnB-2x0iA:
23.10
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.
4NDN_C_SAMC405_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 8 ALA A 202
ASP A 304
ILE A 305
ILE A 268
 None
 0.86A 4ndnD-2x0iA:
undetectable		 4ndnD-2x0iA:
23.10
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.
4O1Z_B_MXMB807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 12 VAL A  46
LEU A  44
VAL A  95
ALA A  37
SER A  36
 None
 1.08A 4o1zB-2x0iA:
0.5		 4o1zB-2x0iA:
19.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OKN_B_KANB403_1
(L-LACTATE
DEHYDROGENASE A
CHAIN)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 9 ASP A  53
TYR A  85
ALA A  98
ILE A 119
ILE A 123
 NAI  A1000 (-2.8A)
None
NAI  A1000 (-3.5A)
NAI  A1000 (-3.7A)
None
 0.77A 4oknB-2x0iA:
39.6		 4oknB-2x0iA:
35.86
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.
5BMV_C_VLBC507_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA-1B
CHAIN)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 6 LYS A 115
ASP A 122
TYR A 331
LEU A 329
 None
 1.34A 5bmvB-2x0iA:
4.4		 5bmvB-2x0iA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5T8S_B_SAMB402_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 8 ALA A 202
ASP A 304
ILE A 305
ILE A 268
 None
 0.92A 5t8sA-2x0iA:
undetectable		 5t8sA-2x0iA:
21.39
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.
6BXL_A_SAMA401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 12 GLY A  33
SER A  91
LYS A  23
VAL A  52
ASP A  53
 None
None
None
None
NAI  A1000 (-2.8A)
 1.48A 6bxlA-2x0iA:
2.4		 6bxlA-2x0iA:
25.38
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.
6FBN_B_SAMB401_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 7 ALA A 202
ASP A 304
ILE A 305
ILE A 268
 None
 0.85A 6fbnA-2x0iA:
undetectable		 6fbnA-2x0iA:
23.10