SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2i80'

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.
1AXW_B_MTXB733_1
(THYMIDYLATE SYNTHASE)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		5 / 11 HIS A  17
ILE A  43
TRP A  49
ASP A 102
GLY A  97
 None
 1.46A 1axwB-2i80A:
undetectable		 1axwB-2i80A:
20.33
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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		5 / 11 ILE A 105
LEU A 289
MET A 310
LEU A  94
ASN A 228
 None
G1L  A 400 (-4.0A)
G1L  A 400 (-4.0A)
G1L  A 400 (-4.3A)
None
 1.33A 1mrlA-2i80A:
undetectable
1mrlB-2i80A:
undetectable		 1mrlA-2i80A:
21.43
1mrlB-2i80A:
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		5 / 12 ILE A 105
LEU A 289
MET A 310
LEU A  94
ASN A 228
 None
G1L  A 400 (-4.0A)
G1L  A 400 (-4.0A)
G1L  A 400 (-4.3A)
None
 1.44A 1mrlB-2i80A:
undetectable
1mrlC-2i80A:
undetectable		 1mrlB-2i80A:
21.43
1mrlC-2i80A:
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.
1T88_B_CAMB2422_0
(CYTOCHROME P450-CAM)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		4 / 5 PHE A 150
LEU A 163
VAL A 166
VAL A 176
 None
 1.20A 1t88B-2i80A:
undetectable		 1t88B-2i80A:
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.
2CIZ_A_ACTA1321_0
(CHLOROPEROXIDASE)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		4 / 5 LEU A 278
ASN A 275
VAL A 223
ALA A 233
 None
 1.02A 2cizA-2i80A:
undetectable		 2cizA-2i80A:
21.15
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.
2FCN_B_DVAB35_0
(UBIQUITIN)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		4 / 6 LEU A 265
GLN A 260
ILE A 261
PRO A 262
 None
 1.01A 2fcnA-2i80A:
undetectable
2fcnB-2i80A:
undetectable		 2fcnA-2i80A:
14.10
2fcnB-2i80A:
14.10
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.
2HS1_B_017B203_1
(HIV-1 PROTEASE)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		4 / 7 GLU A 198
PRO A 173
LYS A 189
GLY A 199
 None
 1.13A 2hs1B-2i80A:
undetectable		 2hs1B-2i80A:
15.62
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.
2HYY_A_STIA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		4 / 6 LEU A  73
VAL A 121
VAL A 114
ILE A 105
 None
 1.02A 2hyyA-2i80A:
undetectable		 2hyyA-2i80A:
22.34
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.
2HYY_B_STIB600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		4 / 6 LEU A  73
VAL A 121
VAL A 114
ILE A 105
 None
 1.02A 2hyyB-2i80A:
undetectable		 2hyyB-2i80A:
22.34
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.
2ROX_B_T44B128_1
(TRANSTHYRETIN)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		4 / 6 LEU A 289
ALA A 224
LEU A 226
THR A 234
 G1L  A 400 (-4.0A)
None
None
None
 1.01A 2roxB-2i80A:
undetectable		 2roxB-2i80A:
17.05
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.
2VJ1_A_BEZA1303_0
(SARS CORONAVIRUS
MAIN PROTEINASE)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		3 / 3 HIS A  96
MET A 128
MET A 310
 G1L  A 400 (-3.4A)
None
G1L  A 400 (-4.0A)
 1.02A 2vj1A-2i80A:
undetectable		 2vj1A-2i80A:
20.21
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.
3K5V_A_STIA2_2
(TYROSINE-PROTEIN
KINASE ABL1)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		4 / 6 LEU A  73
VAL A 121
VAL A 114
ILE A 105
 None
 1.02A 3k5vA-2i80A:
undetectable		 3k5vA-2i80A:
21.75
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.
3K5V_B_STIB2_2
(TYROSINE-PROTEIN
KINASE ABL1)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		4 / 6 LEU A  73
VAL A 121
VAL A 114
ILE A 105
 None
 1.04A 3k5vB-2i80A:
undetectable		 3k5vB-2i80A:
21.75
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.
3KHM_A_TPFA501_1
(STEROL 14
ALPHA-DEMETHYLASE)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		4 / 8 MET A 133
PHE A 137
ALA A 280
ALA A 292
 None
 0.97A 3khmA-2i80A:
undetectable		 3khmA-2i80A:
21.87
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.
3L4D_D_TPFD490_1
(STEROL 14-ALPHA
DEMETHYLASE)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		4 / 8 MET A 133
PHE A 137
ALA A 280
ALA A 292
 None
 1.00A 3l4dD-2i80A:
undetectable		 3l4dD-2i80A:
19.87
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.
3UQ6_A_ADNA401_2
(ADENOSINE KINASE,
PUTATIVE)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		4 / 5 LEU A  22
ALA A 315
PHE A 316
ASN A  29
 None
 1.40A 3uq6A-2i80A:
undetectable		 3uq6A-2i80A:
23.61
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.
3VAQ_A_ADNA401_2
(PUTATIVE ADENOSINE
KINASE)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		4 / 4 LEU A  22
ALA A 315
PHE A 316
ASN A  29
 None
 1.34A 3vaqA-2i80A:
2.3		 3vaqA-2i80A:
23.26
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.
3VAS_A_ADNA401_2
(PUTATIVE ADENOSINE
KINASE)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		4 / 4 LEU A  22
ALA A 315
PHE A 316
ASN A  29
 None
 1.36A 3vasA-2i80A:
undetectable		 3vasA-2i80A:
23.37
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.
4ASD_A_BAXA1500_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		4 / 6 ILE A 338
VAL A  91
ILE A   8
CYH A   7
 None
 0.89A 4asdA-2i80A:
undetectable		 4asdA-2i80A:
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.
4FU8_A_ACTA302_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		4 / 5 HIS A  37
GLN A  86
GLY A  85
SER A  82
 None
 1.28A 4fu8A-2i80A:
undetectable		 4fu8A-2i80A:
20.86
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.
4NKV_A_AERA601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		4 / 5 LEU A 322
ASP A 293
GLU A 238
VAL A 257
 None
 1.24A 4nkvA-2i80A:
undetectable		 4nkvA-2i80A:
23.00
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.
4NQA_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		5 / 11 ALA A 224
PHE A 281
ALA A 292
VAL A 117
LEU A 333
 None
None
None
G1L  A 400 (-4.0A)
None
 1.16A 4nqaA-2i80A:
undetectable		 4nqaA-2i80A:
23.38
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.
5DBY_A_ACTA610_0
(SERUM ALBUMIN)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		3 / 3 TYR A 155
LYS A 201
LYS A 197
 None
 1.13A 5dbyA-2i80A:
undetectable		 5dbyA-2i80A:
21.64
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.
5L8O_B_CHDB1001_0
(GASTROTROPIN)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		5 / 12 ILE A 105
THR A 104
LEU A  94
VAL A   9
SER A  20
 None
None
G1L  A 400 (-4.3A)
None
G1L  A 400 (-4.2A)
 1.45A 5l8oB-2i80A:
0.0		 5l8oB-2i80A:
15.41
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.
5VCY_A_DB8A401_2
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		4 / 4 VAL A  91
LEU A 112
ASN A   5
ASP A  89
 None
 1.28A 5vcyA-2i80A:
undetectable		 5vcyA-2i80A:
20.85
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.
6BXM_A_SAMA402_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		5 / 12 GLY A  70
LEU A 108
ARG A  50
ILE A  43
ASP A  48
 None
 1.21A 6bxmA-2i80A:
3.3		 6bxmA-2i80A:
23.02
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.
6J20_A_GBQA1201_0
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)		 2i80 D-ALANINE-D-ALANINE
LIGASE
(Staphylococcus
aureus) 		5 / 12 ASN A 180
PRO A 178
VAL A 176
ILE A 212
PHE A 204
 None
 1.36A 6j20A-2i80A:
undetectable		 6j20A-2i80A:
19.38