SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5e3i'

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.
1HTT_A_HISA450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		6 / 10 GLU A  85
THR A  87
GLU A 133
TYR A 265
TYR A 266
GLY A 288
 HIS  A 502 (-3.8A)
HIS  A 502 (-3.4A)
HIS  A 502 (-2.6A)
None
HIS  A 502 (-4.7A)
None
 1.01A 1httA-5e3iA:
43.6		 1httA-5e3iA:
55.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_A_HISA450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		9 / 10 GLU A  85
THR A  87
TYR A 109
ARG A 115
GLN A 129
GLU A 133
TYR A 265
TYR A 266
GLY A 287
 HIS  A 502 (-3.8A)
HIS  A 502 (-3.4A)
None
ATP  A 501 ( 2.5A)
HIS  A 502 ( 3.1A)
HIS  A 502 (-2.6A)
None
HIS  A 502 (-4.7A)
HIS  A 502 ( 3.8A)
 0.27A 1httA-5e3iA:
43.6		 1httA-5e3iA:
55.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_B_HISB450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		6 / 12 GLU A  85
ARG A 115
GLN A 129
ARG A 261
LEU A 263
GLY A 287
 HIS  A 502 (-3.8A)
ATP  A 501 ( 2.5A)
HIS  A 502 ( 3.1A)
ATP  A 501 (-2.8A)
None
HIS  A 502 ( 3.8A)
 0.87A 1httB-5e3iA:
42.0		 1httB-5e3iA:
55.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_B_HISB450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		11 / 12 GLU A  85
THR A  87
ARG A 115
GLN A 129
GLU A 133
LEU A 263
TYR A 265
TYR A 266
GLY A 287
TYR A 290
GLY A 309
 HIS  A 502 (-3.8A)
HIS  A 502 (-3.4A)
ATP  A 501 ( 2.5A)
HIS  A 502 ( 3.1A)
HIS  A 502 (-2.6A)
None
None
HIS  A 502 (-4.7A)
HIS  A 502 ( 3.8A)
HIS  A 502 (-4.5A)
HIS  A 502 (-3.5A)
 0.34A 1httB-5e3iA:
42.0		 1httB-5e3iA:
55.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_B_HISB450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 12 GLU A  85
THR A  87
GLN A 129
TYR A 265
GLY A 287
 HIS  A 502 (-3.8A)
HIS  A 502 (-3.4A)
HIS  A 502 ( 3.1A)
None
HIS  A 502 ( 3.8A)
 1.19A 1httB-5e3iA:
42.0		 1httB-5e3iA:
55.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_B_HISB450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		8 / 12 GLU A  85
THR A  87
GLU A 133
LEU A 263
TYR A 265
TYR A 266
GLY A 288
GLY A 309
 HIS  A 502 (-3.8A)
HIS  A 502 (-3.4A)
HIS  A 502 (-2.6A)
None
None
HIS  A 502 (-4.7A)
None
HIS  A 502 (-3.5A)
 1.09A 1httB-5e3iA:
42.0		 1httB-5e3iA:
55.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 12 GLN A 129
ARG A 261
LEU A 263
GLY A 287
ALA A 311
 HIS  A 502 ( 3.1A)
ATP  A 501 (-2.8A)
None
HIS  A 502 ( 3.8A)
HIS  A 502 (-3.8A)
 0.88A 1httC-5e3iA:
43.7		 1httC-5e3iA:
55.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 12 GLU A  85
GLN A 129
TYR A 265
TYR A 290
GLY A 288
 HIS  A 502 (-3.8A)
HIS  A 502 ( 3.1A)
None
HIS  A 502 (-4.5A)
None
 1.27A 1httC-5e3iA:
43.7		 1httC-5e3iA:
55.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		11 / 12 GLU A  85
THR A  87
GLN A 129
GLU A 133
LEU A 263
TYR A 265
TYR A 266
GLY A 287
TYR A 290
GLY A 309
ALA A 311
 HIS  A 502 (-3.8A)
HIS  A 502 (-3.4A)
HIS  A 502 ( 3.1A)
HIS  A 502 (-2.6A)
None
None
HIS  A 502 (-4.7A)
HIS  A 502 ( 3.8A)
HIS  A 502 (-4.5A)
HIS  A 502 (-3.5A)
HIS  A 502 (-3.8A)
 0.26A 1httC-5e3iA:
43.7		 1httC-5e3iA:
55.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		6 / 12 GLU A  85
THR A  87
GLN A 129
TYR A 265
GLY A 287
ALA A 311
 HIS  A 502 (-3.8A)
HIS  A 502 (-3.4A)
HIS  A 502 ( 3.1A)
None
HIS  A 502 ( 3.8A)
HIS  A 502 (-3.8A)
 1.33A 1httC-5e3iA:
43.7		 1httC-5e3iA:
55.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		8 / 12 GLU A  85
THR A  87
GLU A 133
LEU A 263
TYR A 265
TYR A 266
GLY A 288
GLY A 309
 HIS  A 502 (-3.8A)
HIS  A 502 (-3.4A)
HIS  A 502 (-2.6A)
None
None
HIS  A 502 (-4.7A)
None
HIS  A 502 (-3.5A)
 1.06A 1httC-5e3iA:
43.7		 1httC-5e3iA:
55.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		8 / 12 GLU A  85
ARG A 115
GLN A 129
ARG A 261
LEU A 263
TYR A 265
GLY A 287
ALA A 311
 HIS  A 502 (-3.8A)
ATP  A 501 ( 2.5A)
HIS  A 502 ( 3.1A)
ATP  A 501 (-2.8A)
None
None
HIS  A 502 ( 3.8A)
HIS  A 502 (-3.8A)
 0.70A 1httD-5e3iA:
42.0		 1httD-5e3iA:
55.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 12 GLU A  85
ARG A 115
GLN A 129
TYR A 265
GLY A 288
 HIS  A 502 (-3.8A)
ATP  A 501 ( 2.5A)
HIS  A 502 ( 3.1A)
None
None
 1.31A 1httD-5e3iA:
42.0		 1httD-5e3iA:
55.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		11 / 12 GLU A  85
THR A  87
ARG A 115
GLN A 129
GLU A 133
LEU A 263
TYR A 265
TYR A 266
GLY A 287
GLY A 309
ALA A 311
 HIS  A 502 (-3.8A)
HIS  A 502 (-3.4A)
ATP  A 501 ( 2.5A)
HIS  A 502 ( 3.1A)
HIS  A 502 (-2.6A)
None
None
HIS  A 502 (-4.7A)
HIS  A 502 ( 3.8A)
HIS  A 502 (-3.5A)
HIS  A 502 (-3.8A)
 0.32A 1httD-5e3iA:
42.0		 1httD-5e3iA:
55.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		6 / 12 GLU A  85
THR A  87
GLN A 129
TYR A 265
GLY A 287
ALA A 311
 HIS  A 502 (-3.8A)
HIS  A 502 (-3.4A)
HIS  A 502 ( 3.1A)
None
HIS  A 502 ( 3.8A)
HIS  A 502 (-3.8A)
 1.38A 1httD-5e3iA:
42.0		 1httD-5e3iA:
55.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HTT_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		8 / 12 GLU A  85
THR A  87
GLU A 133
LEU A 263
TYR A 265
TYR A 266
GLY A 288
GLY A 309
 HIS  A 502 (-3.8A)
HIS  A 502 (-3.4A)
HIS  A 502 (-2.6A)
None
None
HIS  A 502 (-4.7A)
None
HIS  A 502 (-3.5A)
 1.00A 1httD-5e3iA:
42.0		 1httD-5e3iA:
55.68
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.
1PXX_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 10 LEU A  43
TYR A 109
GLY A  89
ALA A  88
LEU A 293
 None
 0.89A 1pxxA-5e3iA:
undetectable		 1pxxA-5e3iA:
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.
1PXX_C_DIFC2701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 12 LEU A  43
TYR A 109
GLY A  89
ALA A  88
LEU A 293
 None
 0.89A 1pxxC-5e3iA:
undetectable		 1pxxC-5e3iA:
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.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 12 ILE A 147
GLY A 287
TYR A 290
VAL A 308
ALA A 307
 None
HIS  A 502 ( 3.8A)
HIS  A 502 (-4.5A)
None
None
 1.11A 1tlsA-5e3iA:
undetectable		 1tlsA-5e3iA:
20.05
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.
2QK8_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 12 ALA A 307
LEU A  94
VAL A  91
LEU A  43
PRO A  44
 None
 1.12A 2qk8A-5e3iA:
undetectable		 2qk8A-5e3iA:
15.16
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.
3GWX_B_EPAB3_1
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 12 THR A 276
THR A 275
THR A 274
GLU A 166
LEU A 320
 None
 1.36A 3gwxB-5e3iA:
undetectable		 3gwxB-5e3iA:
21.17
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.
3RGL_A_GLYA301_0
(GLYCYL-TRNA
SYNTHETASE ALPHA
SUBUNIT)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		4 / 8 GLY A  86
THR A  87
ARG A 115
GLN A 129
 None
HIS  A 502 (-3.4A)
ATP  A 501 ( 2.5A)
HIS  A 502 ( 3.1A)
 0.88A 3rglA-5e3iA:
10.4		 3rglA-5e3iA:
24.78
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.
3RGL_A_GLYA301_0
(GLYCYL-TRNA
SYNTHETASE ALPHA
SUBUNIT)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		4 / 8 GLY A  86
THR A  87
GLN A 129
GLU A 133
 None
HIS  A 502 (-3.4A)
HIS  A 502 ( 3.1A)
HIS  A 502 (-2.6A)
 0.62A 3rglA-5e3iA:
10.4		 3rglA-5e3iA:
24.78
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.
3S79_A_ASDA601_1
(CYTOCHROME P450 19A1)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 12 ALA A 277
THR A 275
LEU A 153
MET A 157
LEU A 317
 None
 1.25A 3s79A-5e3iA:
undetectable		 3s79A-5e3iA:
21.03
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.
3UR0_C_SVRC516_1
(RNA-DEPENDENT RNA
POLYMERASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 9 GLY A  86
ALA A  88
ALA A  93
ARG A  92
LEU A 297
 None
 1.15A 3ur0C-5e3iA:
undetectable		 3ur0C-5e3iA:
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		4 / 8 TRP A 108
VAL A 132
CYH A  90
TYR A 109
 None
 1.30A 4bqtC-5e3iA:
undetectable
4bqtD-5e3iA:
undetectable		 4bqtC-5e3iA:
17.85
4bqtD-5e3iA:
17.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RDX_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 7 GLU A 133
TYR A 265
GLY A 287
TYR A 290
GLY A 309
 HIS  A 502 (-2.6A)
None
HIS  A 502 ( 3.8A)
HIS  A 502 (-4.5A)
HIS  A 502 (-3.5A)
 1.04A 4rdxA-5e3iA:
37.0		 4rdxA-5e3iA:
38.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RDX_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		6 / 7 THR A  87
GLU A 133
ARG A 261
GLY A 287
TYR A 290
GLY A 309
 HIS  A 502 (-3.4A)
HIS  A 502 (-2.6A)
ATP  A 501 (-2.8A)
HIS  A 502 ( 3.8A)
HIS  A 502 (-4.5A)
HIS  A 502 (-3.5A)
 1.06A 4rdxA-5e3iA:
37.0		 4rdxA-5e3iA:
38.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RDX_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		6 / 7 THR A  87
GLU A 133
ARG A 261
TYR A 266
TYR A 290
GLY A 309
 HIS  A 502 (-3.4A)
HIS  A 502 (-2.6A)
ATP  A 501 (-2.8A)
HIS  A 502 (-4.7A)
HIS  A 502 (-4.5A)
HIS  A 502 (-3.5A)
 1.20A 4rdxA-5e3iA:
37.0		 4rdxA-5e3iA:
38.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RDX_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		4 / 7 THR A  87
GLU A 133
GLY A 288
GLY A 309
 HIS  A 502 (-3.4A)
HIS  A 502 (-2.6A)
None
HIS  A 502 (-3.5A)
 0.73A 4rdxA-5e3iA:
37.0		 4rdxA-5e3iA:
38.29
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.
4RRX_A_LURA706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 12 LEU A  43
TYR A 109
GLY A  89
ALA A  88
LEU A 293
 None
 1.00A 4rrxA-5e3iA:
undetectable		 4rrxA-5e3iA:
21.21
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.
4RRX_B_LURB706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 12 LEU A  43
TYR A 109
GLY A  89
ALA A  88
LEU A 293
 None
 1.05A 4rrxB-5e3iA:
undetectable		 4rrxB-5e3iA:
21.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		7 / 12 GLU A  85
ARG A 115
GLN A 129
TYR A 265
GLY A 287
TYR A 290
GLY A 288
 HIS  A 502 (-3.8A)
ATP  A 501 ( 2.5A)
HIS  A 502 ( 3.1A)
None
HIS  A 502 ( 3.8A)
HIS  A 502 (-4.5A)
None
 1.49A 5e3iA-5e3iA:
56.6		 5e3iA-5e3iA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		12 / 12 GLU A  85
THR A  87
ARG A 115
GLN A 129
GLU A 133
LEU A 263
TYR A 265
TYR A 266
GLY A 287
TYR A 290
GLY A 309
ALA A 311
 HIS  A 502 (-3.8A)
HIS  A 502 (-3.4A)
ATP  A 501 ( 2.5A)
HIS  A 502 ( 3.1A)
HIS  A 502 (-2.6A)
None
None
HIS  A 502 (-4.7A)
HIS  A 502 ( 3.8A)
HIS  A 502 (-4.5A)
HIS  A 502 (-3.5A)
HIS  A 502 (-3.8A)
 0.03A 5e3iA-5e3iA:
56.6		 5e3iA-5e3iA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		8 / 12 GLU A  85
THR A  87
GLU A 133
LEU A 263
TYR A 265
TYR A 266
GLY A 288
GLY A 309
 HIS  A 502 (-3.8A)
HIS  A 502 (-3.4A)
HIS  A 502 (-2.6A)
None
None
HIS  A 502 (-4.7A)
None
HIS  A 502 (-3.5A)
 1.03A 5e3iA-5e3iA:
56.6		 5e3iA-5e3iA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		11 / 11 GLU A  85
THR A  87
ARG A 115
GLN A 129
GLU A 133
TYR A 265
TYR A 266
GLY A 287
TYR A 290
GLY A 309
ALA A 311
 HIS  A 502 (-3.8A)
HIS  A 502 (-3.4A)
ATP  A 501 ( 2.5A)
HIS  A 502 ( 3.1A)
HIS  A 502 (-2.6A)
None
HIS  A 502 (-4.7A)
HIS  A 502 ( 3.8A)
HIS  A 502 (-4.5A)
HIS  A 502 (-3.5A)
HIS  A 502 (-3.8A)
 0.08A 5e3iB-5e3iA:
53.3		 5e3iB-5e3iA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		7 / 11 GLU A  85
THR A  87
GLU A 133
TYR A 265
TYR A 266
GLY A 288
GLY A 309
 HIS  A 502 (-3.8A)
HIS  A 502 (-3.4A)
HIS  A 502 (-2.6A)
None
HIS  A 502 (-4.7A)
None
HIS  A 502 (-3.5A)
 1.08A 5e3iB-5e3iA:
53.3		 5e3iB-5e3iA:
100.00
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.
5F1A_A_SALA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		4 / 8 LEU A  43
TYR A 109
GLY A  89
ALA A  88
 None
 0.73A 5f1aA-5e3iA:
undetectable		 5f1aA-5e3iA:
22.61
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.
5F1A_B_SALB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		4 / 7 LEU A  43
TYR A 109
GLY A  89
ALA A  88
 None
 0.77A 5f1aB-5e3iA:
undetectable		 5f1aB-5e3iA:
22.61
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.
5FHZ_C_REAC602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 10 ILE A 255
THR A 274
LEU A 259
GLN A 240
PHE A 239
 None
 1.25A 5fhzC-5e3iA:
undetectable		 5fhzC-5e3iA:
22.63
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 12 LEU A  43
TYR A 109
GLY A  89
ALA A  88
LEU A 293
 None
 0.87A 5ikqA-5e3iA:
undetectable		 5ikqA-5e3iA:
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 12 LEU A  43
TYR A 109
GLY A  89
ALA A  88
LEU A 293
 None
 0.84A 5ikqB-5e3iA:
undetectable		 5ikqB-5e3iA:
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.
5JKV_A_ASDA602_1
(AROMATASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 12 ALA A 277
THR A 275
LEU A 153
MET A 157
LEU A 317
 None
 1.24A 5jkvA-5e3iA:
undetectable		 5jkvA-5e3iA:
21.03
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.
5X7P_B_ACRB1421_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		4 / 6 TYR A 266
GLU A 172
GLY A 288
GLY A 287
 HIS  A 502 (-4.7A)
None
None
HIS  A 502 ( 3.8A)
 0.96A 5x7pB-5e3iA:
undetectable		 5x7pB-5e3iA:
16.92
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.
6BNI_A_ADNA602_1
(LYSINE--TRNA LIGASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 10 ARG A 115
GLU A 117
PHE A 127
GLY A 313
ARG A 316
 ATP  A 501 ( 2.5A)
ATP  A 501 (-3.5A)
ATP  A 501 (-3.3A)
ATP  A 501 (-3.0A)
ATP  A 501 (-2.8A)
 0.50A 6bniA-5e3iA:
5.1		 6bniA-5e3iA:
11.75
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.
6BNI_B_ADNB602_1
(LYSINE--TRNA LIGASE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 10 ARG A 115
GLU A 117
PHE A 127
GLY A 313
ARG A 316
 ATP  A 501 ( 2.5A)
ATP  A 501 (-3.5A)
ATP  A 501 (-3.3A)
ATP  A 501 (-3.0A)
ATP  A 501 (-2.8A)
 0.51A 6bniB-5e3iA:
14.5		 6bniB-5e3iA:
11.75
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.
6ECF_I_DVAI3010_0
(VLM2
DODECADEPSIPEPTIDE)		 5e3i HISTIDINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		3 / 3 PHE A 429
ARG A 331
ALA A 409
 None
 0.86A 6ecfB-5e3iA:
2.1		 6ecfB-5e3iA:
23.47