SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2x1c'

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.
1DMA_A_NCAA700_0
(EXOTOXIN A)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		4 / 7 GLY A 102
LEU A 169
ALA A 168
GLU A 258
 None
 0.77A 1dmaA-2x1cA:
undetectable		 1dmaA-2x1cA:
22.35
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.
1IBG_H_OBNH1_1
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN))		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		4 / 6 LEU A 130
PHE A 315
TYR A 166
VAL A 328
 None
 0.96A 1ibgH-2x1cA:
undetectable		 1ibgH-2x1cA:
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.
1ICV_A_NIOA704_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		4 / 4 SER A 195
PHE A 222
GLU A 220
GLY A 216
 None
 1.32A 1icvA-2x1cA:
undetectable
1icvB-2x1cA:
undetectable		 1icvA-2x1cA:
20.80
1icvB-2x1cA:
20.80
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.
1IKE_A_HSMA190_1
(NITROPHORIN 4)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		3 / 3 ASP A 337
LEU A 314
LEU A 330
 None
 0.72A 1ikeA-2x1cA:
undetectable		 1ikeA-2x1cA:
19.44
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.
1NP1_B_HSMB304_1
(NITROPHORIN 1)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		3 / 3 ASP A 337
LEU A 314
LEU A 330
 None
 0.63A 1np1B-2x1cA:
undetectable		 1np1B-2x1cA:
19.44
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.
2QEU_A_ACTA142_0
(PUTATIVE
CARBOXYMUCONOLACTONE
DECARBOXYLASE)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		4 / 5 GLU A  12
PRO A  10
ILE A  13
GLY A   8
 None
 1.20A 2qeuA-2x1cA:
undetectable
2qeuC-2x1cA:
undetectable		 2qeuA-2x1cA:
18.21
2qeuC-2x1cA:
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.
2QL8_B_BEZB143_0
(PUTATIVE REDOX
PROTEIN)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		4 / 6 ARG A 302
THR A 104
ALA A 103
ARG A 268
 SO4  A1357 (-4.2A)
None
None
None
 1.20A 2ql8A-2x1cA:
undetectable
2ql8B-2x1cA:
undetectable		 2ql8A-2x1cA:
19.94
2ql8B-2x1cA:
19.94
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.
3AI8_A_HNQA255_1
(CATHEPSIN B)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		4 / 7 GLN A 234
GLY A 223
HIS A 252
HIS A 244
 None
 1.20A 3ai8A-2x1cA:
undetectable		 3ai8A-2x1cA:
20.22
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.
3BJW_F_SVRF502_2
(PHOSPHOLIPASE A2)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		4 / 5 ILE A 300
SER A 299
PHE A 298
PRO A 297
 None
 1.19A 3bjwC-2x1cA:
undetectable		 3bjwC-2x1cA:
13.60
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.
4EAH_F_ACTF402_0
(ACTIN, ALPHA
SKELETAL MUSCLE)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		3 / 3 PHE A 279
ASP A 277
ARG A 241
 None
 0.78A 4eahF-2x1cA:
undetectable		 4eahF-2x1cA:
20.54
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.
4EAH_G_ACTG401_0
(ACTIN, ALPHA
SKELETAL MUSCLE)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		3 / 3 PHE A 279
ASP A 277
ARG A 241
 None
 0.78A 4eahG-2x1cA:
undetectable		 4eahG-2x1cA:
20.54
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.
4FU8_A_ACTA302_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		4 / 5 TYR A  94
GLN A 172
GLY A 173
SER A 227
 None
 1.18A 4fu8A-2x1cA:
undetectable		 4fu8A-2x1cA:
21.24
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.
4G77_A_TLFA711_0
(LACTOTRANSFERRIN)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		4 / 7 ILE A 131
LEU A 133
ALA A 149
ALA A  20
 None
 0.77A 4g77A-2x1cA:
undetectable		 4g77A-2x1cA:
20.70
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		5 / 7 HIS A  17
ILE A  69
ARG A  70
ILE A  83
ALA A  73
 None
 1.42A 4lv9A-2x1cA:
undetectable		 4lv9A-2x1cA:
22.78
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_A_ADNA401_1
(ADENOSINE KINASE)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		5 / 12 ASP A 264
LEU A 275
ASN A 246
GLY A 102
ASP A 121
 None
 1.09A 4n09A-2x1cA:
undetectable		 4n09A-2x1cA:
23.06
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.
5EML_A_SAMA701_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		4 / 6 TYR A 304
TYR A 296
GLY A 307
GLU A 306
 None
 1.14A 5emlA-2x1cA:
undetectable		 5emlA-2x1cA:
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.
5ND3_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		5 / 12 ASP A 199
LEU A 185
ALA A 188
SER A 191
PRO A 194
 None
 1.18A 5nd3B-2x1cA:
undetectable		 5nd3B-2x1cA:
23.32
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.
5PHH_A_LDPA414_1
(LYSINE-SPECIFIC
DEMETHYLASE 4D)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		4 / 6 GLU A 148
ALA A 149
LEU A 130
SER A  28
 None
 1.02A 5phhA-2x1cA:
undetectable		 5phhA-2x1cA:
21.90
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.
6B89_A_NOVA403_2
(LIPOPOLYSACCHARIDE
EXPORT SYSTEM
ATP-BINDING PROTEIN
LPTB)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		4 / 6 PHE A 286
LEU A 289
ALA A 106
GLN A 288
 None
 1.07A 6b89B-2x1cA:
undetectable		 6b89B-2x1cA:
12.89
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.
6DJZ_C_GMJC301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		5 / 12 ALA A 211
LEU A 224
LEU A 185
ALA A 188
TYR A 166
 None
 1.11A 6djzC-2x1cA:
undetectable		 6djzC-2x1cA:
22.35
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.
6JNH_A_ASCA202_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		3 / 3 ASN A 112
PRO A 111
GLN A 109
 None
 0.95A 6jnhA-2x1cA:
undetectable		 6jnhA-2x1cA:
20.61
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.
6JOG_A_ASCA202_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		3 / 3 ASN A 112
PRO A 111
GLN A 109
 None
 0.95A 6jogA-2x1cA:
undetectable		 6jogA-2x1cA:
20.61
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.
6NM4_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9)		 2x1c ACYL-COENZYME
(Penicillium
chrysogenum) 		5 / 9 ALA A 322
GLY A 113
LEU A 110
GLY A 216
TYR A 107
 None
 1.23A 6nm4B-2x1cA:
undetectable		 6nm4B-2x1cA:
19.95