SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1kij'

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AJ6_A_NOVA1_1
(GYRASE)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		9 / 9 ASN A  45
GLU A  49
ASP A  72
ARG A  75
ILE A  77
PRO A  78
ALA A  89
ILE A  93
THR A 166
 NOV  A 400 (-3.8A)
NOV  A 400 (-3.6A)
NOV  A 400 (-3.1A)
NOV  A 400 (-3.4A)
NOV  A 400 (-4.1A)
NOV  A 400 (-4.4A)
NOV  A 400 ( 4.1A)
NOV  A 400 (-4.5A)
NOV  A 400 (-3.3A)
 0.46A 1aj6A-1kijA:
28.2		 1aj6A-1kijA:
35.74
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.
1Q23_C_FUAC701_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		4 / 4 ALA A 226
VAL A 322
ALA A 321
HIS A 258
 None
 1.17A 1q23A-1kijA:
0.0		 1q23A-1kijA:
20.10
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.
1S14_A_NOVA1300_1
(TOPOISOMERASE IV
SUBUNIT B)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		10 / 12 ASN A  45
ASP A  48
GLU A  49
ASP A  72
ARG A  75
PRO A  78
ASP A  80
ILE A  93
ARG A 135
THR A 166
 NOV  A 400 (-3.8A)
NOV  A 400 (-4.5A)
NOV  A 400 (-3.6A)
NOV  A 400 (-3.1A)
NOV  A 400 (-3.4A)
NOV  A 400 (-4.4A)
NOV  A 400 (-2.8A)
NOV  A 400 (-4.5A)
NOV  A 400 (-2.7A)
NOV  A 400 (-3.3A)
 0.38A 1s14A-1kijA:
24.0		 1s14A-1kijA:
27.82
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.
1S14_B_NOVB2300_1
(TOPOISOMERASE IV
SUBUNIT B)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		10 / 12 ASN A  45
ASP A  48
GLU A  49
ASP A  72
ARG A  75
PRO A  78
ASP A  80
ALA A  89
ILE A  93
ARG A 135
 NOV  A 400 (-3.8A)
NOV  A 400 (-4.5A)
NOV  A 400 (-3.6A)
NOV  A 400 (-3.1A)
NOV  A 400 (-3.4A)
NOV  A 400 (-4.4A)
NOV  A 400 (-2.8A)
NOV  A 400 ( 4.1A)
NOV  A 400 (-4.5A)
NOV  A 400 (-2.7A)
 0.43A 1s14B-1kijA:
26.2		 1s14B-1kijA:
27.82
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.
2BXE_A_1FLA2002_1
(SERUM ALBUMIN)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		5 / 10 ALA A 348
ALA A 345
LEU A 340
LEU A 327
ALA A 270
 None
 1.02A 2bxeA-1kijA:
undetectable		 2bxeA-1kijA:
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.
2BXG_B_IBPB2002_1
(SERUM ALBUMIN)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		5 / 10 ALA A 348
ALA A 345
LEU A 340
LEU A 327
ALA A 270
 None
 1.06A 2bxgB-1kijA:
0.0		 2bxgB-1kijA:
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.
3AV6_A_SAMA1_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		5 / 12 PHE A 216
GLY A 200
LEU A 201
ALA A 199
VAL A 198
 None
 0.96A 3av6A-1kijA:
0.0		 3av6A-1kijA:
16.49
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.
3B9M_A_SALA1100_1
(SERUM ALBUMIN)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		4 / 4 LEU A 293
ARG A 377
LEU A 376
ALA A 370
 None
 1.07A 3b9mA-1kijA:
0.0		 3b9mA-1kijA:
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.
3KO0_Q_TFPQ201_1
(PROTEIN S100-A4)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		4 / 8 PHE A 182
GLY A  66
ILE A  42
PHE A 205
 None
 0.99A 3ko0O-1kijA:
undetectable
3ko0Q-1kijA:
undetectable		 3ko0O-1kijA:
14.52
3ko0Q-1kijA:
14.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LPS_A_NOVA901_1
(TOPOISOMERASE IV
SUBUNIT B)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		10 / 12 ASN A  45
ASP A  48
GLU A  49
ASP A  72
ARG A  75
PRO A  78
ASP A  80
ILE A  93
ARG A 135
THR A 166
 NOV  A 400 (-3.8A)
NOV  A 400 (-4.5A)
NOV  A 400 (-3.6A)
NOV  A 400 (-3.1A)
NOV  A 400 (-3.4A)
NOV  A 400 (-4.4A)
NOV  A 400 (-2.8A)
NOV  A 400 (-4.5A)
NOV  A 400 (-2.7A)
NOV  A 400 (-3.3A)
 0.50A 3lpsA-1kijA:
39.5		 3lpsA-1kijA:
36.84
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.
3VW7_A_VPXA2001_2
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		4 / 4 PRO A 310
LEU A 315
HIS A 258
LEU A 257
 None
 1.48A 3vw7A-1kijA:
0.0		 3vw7A-1kijA:
21.22
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.
4G19_A_ACTA304_0
(GLUTATHIONE
TRANSFERASE GTE1)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		4 / 5 ILE A  58
LEU A 201
LYS A 202
ASN A  73
 None
 1.19A 4g19A-1kijA:
0.0		 4g19A-1kijA:
21.32
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.
4G19_D_ACTD305_0
(GLUTATHIONE
TRANSFERASE GTE1)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		4 / 4 ILE A  58
LEU A 201
LYS A 202
ASN A  73
 None
 1.33A 4g19D-1kijA:
0.0		 4g19D-1kijA:
21.32
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.
4G5J_A_0WMA1102_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		4 / 7 PHE A 170
ILE A  27
PRO A 172
HIS A  36
 None
 1.06A 4g5jA-1kijA:
0.0		 4g5jA-1kijA:
23.58
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.
4P6V_E_RBFE201_1
(NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B
NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT E)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		4 / 5 HIS A 139
VAL A 133
GLU A 132
VAL A 156
 None
 1.12A 4p6vB-1kijA:
2.1
4p6vE-1kijA:
0.7		 4p6vB-1kijA:
21.60
4p6vE-1kijA:
19.49
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.
4PO0_A_NPSA601_1
(SERUM ALBUMIN)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		5 / 12 VAL A 110
ASN A 271
PHE A 332
LEU A 340
SER A 324
 None
 1.26A 4po0A-1kijA:
undetectable		 4po0A-1kijA:
21.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4URN_A_NOVA2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		9 / 11 ASN A  45
ASP A  48
GLU A  49
ASP A  72
ARG A  75
PRO A  78
ILE A  93
ARG A 135
THR A 166
 NOV  A 400 (-3.8A)
NOV  A 400 (-4.5A)
NOV  A 400 (-3.6A)
NOV  A 400 (-3.1A)
NOV  A 400 (-3.4A)
NOV  A 400 (-4.4A)
NOV  A 400 (-4.5A)
NOV  A 400 (-2.7A)
NOV  A 400 (-3.3A)
 0.85A 4urnA-1kijA:
27.9		 4urnA-1kijA:
32.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4URN_B_NOVB2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		9 / 11 ASN A  45
ASP A  48
GLU A  49
ASP A  72
ARG A  75
PRO A  78
ILE A  93
ARG A 135
THR A 166
 NOV  A 400 (-3.8A)
NOV  A 400 (-4.5A)
NOV  A 400 (-3.6A)
NOV  A 400 (-3.1A)
NOV  A 400 (-3.4A)
NOV  A 400 (-4.4A)
NOV  A 400 (-4.5A)
NOV  A 400 (-2.7A)
NOV  A 400 (-3.3A)
 0.72A 4urnB-1kijA:
25.9		 4urnB-1kijA:
32.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4URN_C_NOVC2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		9 / 11 ASN A  45
ASP A  48
GLU A  49
ASP A  72
ARG A  75
PRO A  78
ILE A  93
ARG A 135
THR A 166
 NOV  A 400 (-3.8A)
NOV  A 400 (-4.5A)
NOV  A 400 (-3.6A)
NOV  A 400 (-3.1A)
NOV  A 400 (-3.4A)
NOV  A 400 (-4.4A)
NOV  A 400 (-4.5A)
NOV  A 400 (-2.7A)
NOV  A 400 (-3.3A)
 0.69A 4urnC-1kijA:
28.2		 4urnC-1kijA:
32.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4URO_A_NOVA2000_1
(DNA GYRASE SUBUNIT B)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		9 / 12 ASN A  45
GLU A  49
ASP A  72
ARG A  75
ILE A  77
PRO A  78
ASP A  80
ILE A  93
ARG A 135
 NOV  A 400 (-3.8A)
NOV  A 400 (-3.6A)
NOV  A 400 (-3.1A)
NOV  A 400 (-3.4A)
NOV  A 400 (-4.1A)
NOV  A 400 (-4.4A)
NOV  A 400 (-2.8A)
NOV  A 400 (-4.5A)
NOV  A 400 (-2.7A)
 0.44A 4uroA-1kijA:
28.0		 4uroA-1kijA:
32.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4URO_B_NOVB2000_1
(DNA GYRASE SUBUNIT B)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		9 / 12 ASN A  45
GLU A  49
ASP A  72
ARG A  75
ILE A  77
PRO A  78
ASP A  80
ILE A  93
ARG A 135
 NOV  A 400 (-3.8A)
NOV  A 400 (-3.6A)
NOV  A 400 (-3.1A)
NOV  A 400 (-3.4A)
NOV  A 400 (-4.1A)
NOV  A 400 (-4.4A)
NOV  A 400 (-2.8A)
NOV  A 400 (-4.5A)
NOV  A 400 (-2.7A)
 0.51A 4uroB-1kijA:
28.1		 4uroB-1kijA:
32.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4URO_C_NOVC2000_1
(DNA GYRASE SUBUNIT B)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		10 / 12 ASN A  45
GLU A  49
ASP A  72
ARG A  75
ILE A  77
PRO A  78
ASP A  80
ALA A  89
ILE A  93
ARG A 135
 NOV  A 400 (-3.8A)
NOV  A 400 (-3.6A)
NOV  A 400 (-3.1A)
NOV  A 400 (-3.4A)
NOV  A 400 (-4.1A)
NOV  A 400 (-4.4A)
NOV  A 400 (-2.8A)
NOV  A 400 ( 4.1A)
NOV  A 400 (-4.5A)
NOV  A 400 (-2.7A)
 0.51A 4uroC-1kijA:
28.1		 4uroC-1kijA:
32.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4URO_D_NOVD2000_1
(DNA GYRASE SUBUNIT B)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		10 / 12 ASN A  45
GLU A  49
ASP A  72
ARG A  75
ILE A  77
PRO A  78
ASP A  80
ILE A  93
ARG A 135
THR A 166
 NOV  A 400 (-3.8A)
NOV  A 400 (-3.6A)
NOV  A 400 (-3.1A)
NOV  A 400 (-3.4A)
NOV  A 400 (-4.1A)
NOV  A 400 (-4.4A)
NOV  A 400 (-2.8A)
NOV  A 400 (-4.5A)
NOV  A 400 (-2.7A)
NOV  A 400 (-3.3A)
 0.40A 4uroD-1kijA:
27.4		 4uroD-1kijA:
32.11
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.
5CSW_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		3 / 3 PHE A 285
ILE A 266
ASP A 277
 None
 0.75A 5cswB-1kijA:
undetectable		 5cswB-1kijA:
21.20
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.
5I8F_A_ML1A211_1
(PHENOLIC OXIDATIVE
COUPLING PROTEIN)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		4 / 6 LYS A 227
ALA A 226
VAL A 222
TYR A 196
 None
 1.05A 5i8fA-1kijA:
0.0		 5i8fA-1kijA:
17.49
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.
5JW1_A_CELA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		4 / 6 VAL A 168
LEU A 125
ILE A 176
PHE A 177
 None
 0.96A 5jw1A-1kijA:
0.0		 5jw1A-1kijA:
20.36
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.
5NY7_A_NCAA303_0
(AMIDASE)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		4 / 6 ARG A  75
PRO A  78
THR A 166
GLU A  49
 NOV  A 400 (-3.4A)
NOV  A 400 (-4.4A)
NOV  A 400 (-3.3A)
NOV  A 400 (-3.6A)
 1.05A 5ny7A-1kijA:
undetectable		 5ny7A-1kijA:
22.25
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.
5Y2T_A_8LXA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		5 / 12 LEU A 242
GLY A 200
LEU A  51
MET A 272
LEU A 191
 None
 1.26A 5y2tA-1kijA:
undetectable		 5y2tA-1kijA:
undetectable
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.
6HU9_H_PCFH604_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		 1kij DNA GYRASE SUBUNIT B
(Thermus
thermophilus) 		5 / 8 GLY A 118
HIS A 115
VAL A  19
GLY A 100
SER A  99
 None
 1.46A 6hu9H-1kijA:
undetectable
6hu9e-1kijA:
0.0		 6hu9H-1kijA:
13.33
6hu9e-1kijA:
16.32