SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1ion'

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.
1BU5_B_RBFB302_1
(PROTEIN (FLAVODOXIN))		 1ion PROBABLE CELL
DIVISION INHIBITOR
MIND
(Pyrococcus
horikoshii) 		5 / 8 THR A  18
ASN A  22
ASP A 179
GLY A 222
ASP A 200
 ADP  A 301 (-3.6A)
None
None
None
None
 1.16A 1bu5B-1ionA:
4.8		 1bu5B-1ionA:
20.16
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.
1E7C_A_HLTA4001_1
(SERUM ALBUMIN)		 1ion PROBABLE CELL
DIVISION INHIBITOR
MIND
(Pyrococcus
horikoshii) 		4 / 5 LYS A  95
ALA A  96
ASP A  61
GLY A  65
 None
 1.22A 1e7cA-1ionA:
undetectable		 1e7cA-1ionA:
19.01
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.
1TV8_B_SAMB2501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 1ion PROBABLE CELL
DIVISION INHIBITOR
MIND
(Pyrococcus
horikoshii) 		4 / 7 TYR A  74
THR A  17
THR A  20
SER A  24
 None
MG  A 302 ( 3.4A)
None
None
 1.19A 1tv8B-1ionA:
3.4		 1tv8B-1ionA:
22.54
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.
2A15_A_NCAA1001_0
(HYPOTHETICAL PROTEIN
RV0760C)		 1ion PROBABLE CELL
DIVISION INHIBITOR
MIND
(Pyrococcus
horikoshii) 		5 / 11 SER A 133
ILE A 115
LEU A  35
LEU A  59
LEU A  84
 None
 1.08A 2a15A-1ionA:
0.0		 2a15A-1ionA:
20.43
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.
3DZU_A_9CRA7223_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 1ion PROBABLE CELL
DIVISION INHIBITOR
MIND
(Pyrococcus
horikoshii) 		5 / 12 ILE A 169
ALA A 195
ILE A 203
PHE A 226
LEU A 229
 None
None
ADP  A 301 (-3.5A)
None
None
 0.99A 3dzuA-1ionA:
undetectable		 3dzuA-1ionA:
19.07
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.
3EL4_A_ROCA100_2
(PROTEASE)		 1ion PROBABLE CELL
DIVISION INHIBITOR
MIND
(Pyrococcus
horikoshii) 		5 / 9 ALA A 130
VAL A   8
GLY A 134
ILE A   4
THR A  20
 None
 1.17A 3el4B-1ionA:
undetectable		 3el4B-1ionA:
13.58
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.
3KMO_B_EAAB213_1
(GLUTATHIONE
S-TRANSFERASE P)		 1ion PROBABLE CELL
DIVISION INHIBITOR
MIND
(Pyrococcus
horikoshii) 		4 / 7 PHE A 114
VAL A  34
ASN A  80
GLY A  28
 None
 1.02A 3kmoB-1ionA:
undetectable		 3kmoB-1ionA:
23.31
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.
3NU4_B_478B401_1
(PROTEASE)		 1ion PROBABLE CELL
DIVISION INHIBITOR
MIND
(Pyrococcus
horikoshii) 		5 / 9 ASP A  38
ILE A  83
GLY A 210
ILE A 211
VAL A  81
 None
 1.01A 3nu4A-1ionA:
undetectable		 3nu4A-1ionA:
16.73
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.
3OXX_A_DR7A100_2
(HIV-1 PROTEASE)		 1ion PROBABLE CELL
DIVISION INHIBITOR
MIND
(Pyrococcus
horikoshii) 		5 / 11 ALA A 137
VAL A 233
PRO A 192
VAL A 191
ILE A 165
 None
 1.31A 3oxxB-1ionA:
undetectable		 3oxxB-1ionA:
18.03
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.
3SI7_B_ACTB4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 1ion PROBABLE CELL
DIVISION INHIBITOR
MIND
(Pyrococcus
horikoshii) 		3 / 3 GLY A  13
GLY A  15
THR A  17
 ADP  A 301 (-3.5A)
ADP  A 301 (-3.0A)
MG  A 302 ( 3.4A)
 0.45A 3si7B-1ionA:
undetectable		 3si7B-1ionA:
20.13
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.
3SPK_B_TPVB100_1
(HIV-1 PROTEASE)		 1ion PROBABLE CELL
DIVISION INHIBITOR
MIND
(Pyrococcus
horikoshii) 		5 / 9 ALA A 130
VAL A   8
GLY A 134
ILE A   4
THR A  20
 None
 1.19A 3spkA-1ionA:
undetectable		 3spkA-1ionA:
19.57
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.
3SPK_B_TPVB100_2
(HIV-1 PROTEASE)		 1ion PROBABLE CELL
DIVISION INHIBITOR
MIND
(Pyrococcus
horikoshii) 		5 / 12 ALA A 130
VAL A   8
GLY A 134
ILE A   4
THR A  20
 None
 1.06A 3spkB-1ionA:
undetectable		 3spkB-1ionA:
19.57
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.
3W67_B_VIVB301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 1ion PROBABLE CELL
DIVISION INHIBITOR
MIND
(Pyrococcus
horikoshii) 		6 / 12 ILE A  73
SER A  24
LEU A  23
VAL A  49
ILE A 105
ILE A 117
 None
 1.42A 3w67B-1ionA:
undetectable		 3w67B-1ionA:
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.
4MK4_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1ion PROBABLE CELL
DIVISION INHIBITOR
MIND
(Pyrococcus
horikoshii) 		3 / 3 LEU A 116
ILE A   5
ARG A   3
 None
 0.70A 4mk4B-1ionA:
3.8		 4mk4B-1ionA:
20.52
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.
4ZBQ_A_DIFA602_1
(SERUM ALBUMIN)		 1ion PROBABLE CELL
DIVISION INHIBITOR
MIND
(Pyrococcus
horikoshii) 		4 / 8 LEU A 170
ALA A 185
VAL A 188
GLU A 144
 None
 0.87A 4zbqA-1ionA:
0.0		 4zbqA-1ionA:
18.87
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.
5HIE_D_P06D801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 1ion PROBABLE CELL
DIVISION INHIBITOR
MIND
(Pyrococcus
horikoshii) 		4 / 8 GLY A  15
PHE A 114
ASN A  45
ASP A 118
 ADP  A 301 (-3.0A)
None
None
MG  A 302 ( 4.0A)
 0.90A 5hieD-1ionA:
undetectable		 5hieD-1ionA:
22.19
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.
6BRD_B_RFPB502_2
(RIFAMPIN
MONOOXYGENASE)		 1ion PROBABLE CELL
DIVISION INHIBITOR
MIND
(Pyrococcus
horikoshii) 		4 / 6 VAL A  49
LEU A 101
ARG A 126
PRO A 120
 None
 1.32A 6brdB-1ionA:
0.0		 6brdB-1ionA:
18.61
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.
6CZM_D_HISD402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 1ion PROBABLE CELL
DIVISION INHIBITOR
MIND
(Pyrococcus
horikoshii) 		5 / 8 GLY A  86
LEU A  59
THR A  42
VAL A  93
LEU A 101
 None
 1.39A 6czmD-1ionA:
undetectable
6czmF-1ionA:
undetectable		 6czmD-1ionA:
23.68
6czmF-1ionA:
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.
6FGD_A_ACTA824_0
(GEPHYRIN)		 1ion PROBABLE CELL
DIVISION INHIBITOR
MIND
(Pyrococcus
horikoshii) 		4 / 4 LEU A 125
ASP A  97
PRO A  98
ARG A  99
 None
 0.80A 6fgdA-1ionA:
undetectable		 6fgdA-1ionA:
22.07
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.
6GBN_C_ADNC501_2
(-)		 1ion PROBABLE CELL
DIVISION INHIBITOR
MIND
(Pyrococcus
horikoshii) 		4 / 5 GLN A  77
THR A  76
THR A  20
GLY A 210
 None
 1.05A 6gbnC-1ionA:
undetectable		 6gbnC-1ionA:
23.43