SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '545'


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.
1JZS_A_MRCA1301_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		6 / 11 GLY A  38
HIS A  50
GLY A 193
ASP A 195
GLN A 196
LEU A 223
 545  A 421 (-4.2A)
545  A 421 (-3.7A)
545  A 421 (-3.6A)
545  A 421 (-2.9A)
545  A 421 (-3.4A)
None
 0.96A 1jzsA-1jikA:
2.0		 1jzsA-1jikA:
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.
1PG2_A_ADNA552_1
(METHIONYL-TRNA
SYNTHETASE)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		5 / 11 HIS A  47
GLY A  49
HIS A  50
GLY A 193
ASP A 195
 None
None
545  A 421 (-3.7A)
545  A 421 (-3.6A)
545  A 421 (-2.9A)
 0.52A 1pg2A-1jikA:
9.3		 1pg2A-1jikA:
21.95
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_H_FUAH709_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3dcm UNCHARACTERIZED
PROTEIN TM_1570
(Thermotoga
maritima) 		5 / 12 THR X  24
LEU X 140
VAL X   7
VAL X 172
VAL X  85
 None
SAM  X5452 (-4.5A)
None
SAM  X5452 (-3.7A)
None
 1.21A 1q23H-3dcmX:
undetectable
1q23I-3dcmX:
undetectable		 1q23H-3dcmX:
23.25
1q23I-3dcmX:
23.25
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.
1QU2_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		5 / 12 GLY A  49
HIS A  50
ASP A 195
GLN A 196
VAL A 224
 None
545  A 421 (-3.7A)
545  A 421 (-2.9A)
545  A 421 (-3.4A)
None
 1.08A 1qu2A-1jikA:
5.1		 1qu2A-1jikA:
17.78
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.
1QU2_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		5 / 12 HIS A  50
GLY A 193
ASP A 195
GLN A 196
VAL A 224
 545  A 421 (-3.7A)
545  A 421 (-3.6A)
545  A 421 (-2.9A)
545  A 421 (-3.4A)
None
 0.60A 1qu2A-1jikA:
5.1		 1qu2A-1jikA:
17.78
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.
1V2X_A_SAMA400_0
(TRNA (GM18)
METHYLTRANSFERASE)		 3dcm UNCHARACTERIZED
PROTEIN TM_1570
(Thermotoga
maritima) 		6 / 12 GLY X 141
GLY X 145
ILE X 161
LEU X 170
VAL X 172
ALA X 175
 SAM  X5452 (-3.1A)
SAM  X5452 (-3.7A)
SAM  X5452 (-3.7A)
SAM  X5452 (-4.2A)
SAM  X5452 (-3.7A)
SAM  X5452 (-3.3A)
 0.41A 1v2xA-3dcmX:
13.4		 1v2xA-3dcmX:
25.00
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.
1X7P_A_SAMA301_0
(RRNA
METHYLTRANSFERASE)		 3dcm UNCHARACTERIZED
PROTEIN TM_1570
(Thermotoga
maritima) 		6 / 11 THR X 111
GLY X 141
GLY X 145
ILE X 161
LEU X 170
ALA X 175
 SAM  X5452 (-3.9A)
SAM  X5452 (-3.1A)
SAM  X5452 (-3.7A)
SAM  X5452 (-3.7A)
SAM  X5452 (-4.2A)
SAM  X5452 (-3.3A)
 0.49A 1x7pA-3dcmX:
14.3
1x7pB-3dcmX:
14.5		 1x7pA-3dcmX:
22.57
1x7pB-3dcmX:
22.57
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.
1X7P_B_SAMB302_0
(RRNA
METHYLTRANSFERASE)		 3dcm UNCHARACTERIZED
PROTEIN TM_1570
(Thermotoga
maritima) 		6 / 10 THR X 111
GLY X 141
GLY X 145
ILE X 161
LEU X 170
ALA X 175
 SAM  X5452 (-3.9A)
SAM  X5452 (-3.1A)
SAM  X5452 (-3.7A)
SAM  X5452 (-3.7A)
SAM  X5452 (-4.2A)
SAM  X5452 (-3.3A)
 0.29A 1x7pA-3dcmX:
14.3
1x7pB-3dcmX:
14.5		 1x7pA-3dcmX:
22.57
1x7pB-3dcmX:
22.57
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.
1XQL_A_4AXA605_1
(ALANINE RACEMASE)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 8 LYS A 592
TYR A 594
ARG A 407
TYR A 545
 LYS  A 592 (-0.0A)
TYR  A 594 (-1.3A)
ARG  A 407 ( 0.6A)
TYR  A 545 ( 1.3A)
 1.35A 1xqlA-4flxA:
undetectable
1xqlB-4flxA:
undetectable		 1xqlA-4flxA:
21.34
1xqlB-4flxA:
21.34
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.
1XQL_B_4AXB505_1
(ALANINE RACEMASE)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 8 LYS A 592
TYR A 594
ARG A 407
TYR A 545
 LYS  A 592 (-0.0A)
TYR  A 594 (-1.3A)
ARG  A 407 ( 0.6A)
TYR  A 545 ( 1.3A)
 1.39A 1xqlA-4flxA:
undetectable
1xqlB-4flxA:
undetectable		 1xqlA-4flxA:
21.34
1xqlB-4flxA:
21.34
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.
1Z11_B_8MOB501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		 2wbv FIBER PROTEIN
(Canine
mastadenovirus
A) 		5 / 11 PHE A 516
VAL A 411
PHE A 519
GLY A 404
ILE A 377
 None
None
None
None
SIA  A1545 ( 4.3A)
 1.04A 1z11B-2wbvA:
undetectable		 1z11B-2wbvA:
18.97
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.
2IEN_B_017B402_1
(PROTEASE)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		5 / 12 LEU A  46
GLY A  38
ASP A  80
GLY A 193
ILE A 221
 545  A 421 ( 3.9A)
545  A 421 (-4.2A)
545  A 421 (-3.4A)
545  A 421 (-3.6A)
None
 0.90A 2ienA-1jikA:
undetectable		 2ienA-1jikA:
13.01
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.
2J2P_B_SC2B1294_1
(FICOLIN-2)		 2ht6 GTP-BINDING PROTEIN
GEM
(Homo
sapiens) 		5 / 9 VAL A  86
GLY A  82
LEU A 154
LEU A 129
ASP A 131
 GDP  A 545 (-4.1A)
None
None
None
MG  A 344 ( 4.1A)
 0.94A 2j2pB-2ht6A:
undetectable
2j2pC-2ht6A:
undetectable		 2j2pB-2ht6A:
21.43
2j2pC-2ht6A:
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.
2OUZ_A_C3DA999_1
(ESTROGEN RECEPTOR)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		4 / 6 ALA A  43
ASP A  44
TRP A 241
ARG A  88
 545  A 421 ( 4.7A)
None
None
None
 1.40A 2ouzA-1jikA:
undetectable		 2ouzA-1jikA:
20.39
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.
2VCV_F_ASDF1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		5 / 8 PHE A 111
LEU A  46
LEU A 242
LEU A  55
PHE A 306
 None
545  A 421 ( 3.9A)
None
None
None
 1.36A 2vcvF-1jikA:
undetectable		 2vcvF-1jikA:
21.69
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.
2WD9_B_IBPB1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		 3sql GLYCOSYL HYDROLASE
FAMILY 3
(Synechococcus
sp.
PCC
7002) 		4 / 8 ILE A 315
GLY A  56
GLY A  54
GLN A  16
 EDO  A 545 (-3.8A)
None
None
None
 0.77A 2wd9B-3sqlA:
undetectable		 2wd9B-3sqlA:
22.08
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.
2X1L_A_ADNA601_1
(METHIONYL-TRNA
SYNTHETASE)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		5 / 11 HIS A  47
GLY A  49
HIS A  50
GLY A 193
ASP A 195
 None
None
545  A 421 (-3.7A)
545  A 421 (-3.6A)
545  A 421 (-2.9A)
 0.76A 2x1lA-1jikA:
9.3		 2x1lA-1jikA:
21.23
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.
2X1L_B_ADNB601_1
(METHIONYL-TRNA
SYNTHETASE)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		5 / 12 HIS A  47
GLY A  49
HIS A  50
GLY A 193
ASP A 195
 None
None
545  A 421 (-3.7A)
545  A 421 (-3.6A)
545  A 421 (-2.9A)
 0.77A 2x1lB-1jikA:
9.2		 2x1lB-1jikA:
21.23
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.
2X1L_C_ADNC601_1
(METHIONYL-TRNA
SYNTHETASE)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		5 / 11 HIS A  47
GLY A  49
HIS A  50
GLY A 193
ASP A 195
 None
None
545  A 421 (-3.7A)
545  A 421 (-3.6A)
545  A 421 (-2.9A)
 0.81A 2x1lC-1jikA:
9.2		 2x1lC-1jikA:
21.23
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.
2X8O_A_OINA1317_1
(CHOLINE-BINDING
PROTEIN F)		 2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN
(Streptococcus
pneumoniae) 		4 / 4 TRP A 398
TRP A 405
TYR A 426
MET A 434
 BTB  A1545 (-3.6A)
BTB  A1545 (-3.8A)
BTB  A1545 (-4.9A)
BTB  A1545 ( 3.9A)
 0.39A 2x8oA-2bibA:
7.7		 2x8oA-2bibA:
25.09
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.
2ZW9_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 2vl8 CYTOTOXIN L
(Paeniclostridium
sordellii) 		4 / 8 ARG A 499
LEU A 511
ASP A 288
GLU A 502
 None
None
CA  A1545 ( 2.8A)
None
 1.08A 2zw9A-2vl8A:
undetectable		 2zw9A-2vl8A:
25.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DCM_X_SAMX5452_0
(UNCHARACTERIZED
PROTEIN TM_1570)		 3dcm UNCHARACTERIZED
PROTEIN TM_1570
(Thermotoga
maritima) 		6 / 11 GLY X 141
ILE X 178
LEU X 170
SER X 171
VAL X 172
ALA X 175
 SAM  X5452 (-3.1A)
None
SAM  X5452 (-4.2A)
SAM  X5452 (-4.9A)
SAM  X5452 (-3.7A)
SAM  X5452 (-3.3A)
 1.22A 3dcmX-3dcmX:
38.2		 3dcmX-3dcmX:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DCM_X_SAMX5452_0
(UNCHARACTERIZED
PROTEIN TM_1570)		 3dcm UNCHARACTERIZED
PROTEIN TM_1570
(Thermotoga
maritima) 		11 / 11 THR X 111
ALA X 113
GLY X 141
GLY X 145
ILE X 161
ASN X 168
LEU X 170
SER X 171
VAL X 172
ARG X 173
ALA X 175
 SAM  X5452 (-3.9A)
SAM  X5452 (-3.5A)
SAM  X5452 (-3.1A)
SAM  X5452 (-3.7A)
SAM  X5452 (-3.7A)
SAM  X5452 (-3.9A)
SAM  X5452 (-4.2A)
SAM  X5452 (-4.9A)
SAM  X5452 (-3.7A)
SAM  X5452 ( 4.0A)
SAM  X5452 (-3.3A)
 0.00A 3dcmX-3dcmX:
38.2		 3dcmX-3dcmX:
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.
3E9R_A_ACTA700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		4 / 6 GLY A  72
GLY A  76
MET A  77
ASN A 123
 545  A 421 ( 4.8A)
None
None
None
 0.92A 3e9rA-1jikA:
undetectable		 3e9rA-1jikA:
22.22
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.
3E9R_C_ACTC700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		4 / 6 GLY A  72
GLY A  76
MET A  77
ASN A 123
 545  A 421 ( 4.8A)
None
None
None
 0.91A 3e9rC-1jikA:
undetectable		 3e9rC-1jikA:
22.22
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.
3EKT_B_017B200_1
(PROTEASE)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		5 / 9 LEU A  46
GLY A  38
ASP A  80
GLY A 193
ILE A 221
 545  A 421 ( 3.9A)
545  A 421 (-4.2A)
545  A 421 (-3.4A)
545  A 421 (-3.6A)
None
 0.94A 3ektA-1jikA:
undetectable		 3ektA-1jikA:
12.77
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.
3GYQ_B_SAMB270_0
(RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE)		 3dcm UNCHARACTERIZED
PROTEIN TM_1570
(Thermotoga
maritima) 		5 / 11 ALA X 113
GLY X 141
ILE X 161
LEU X 170
VAL X 172
 SAM  X5452 (-3.5A)
SAM  X5452 (-3.1A)
SAM  X5452 (-3.7A)
SAM  X5452 (-4.2A)
SAM  X5452 (-3.7A)
 0.52A 3gyqB-3dcmX:
14.3		 3gyqB-3dcmX:
23.27
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.
3IIZ_A_SAMA1501_0
(BIOTIN SYNTHETASE,
PUTATIVE)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		5 / 12 TYR A  36
CYH A  37
SER A  82
GLY A 198
ILE A  71
 None
545  A 421 ( 4.2A)
None
None
None
 1.21A 3iizA-1jikA:
1.4		 3iizA-1jikA:
21.50
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.
3K37_A_BCZA468_1
(NEURAMINIDASE)		 3sql GLYCOSYL HYDROLASE
FAMILY 3
(Synechococcus
sp.
PCC
7002) 		3 / 3 ASP A  43
ARG A  35
ARG A  49
 None
None
EDO  A 545 (-4.6A)
 1.03A 3k37A-3sqlA:
undetectable		 3k37A-3sqlA:
19.64
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.
3N2O_C_AG2C1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		4 / 8 ASP A 177
LEU A  70
ASP A  40
ASP A  80
 545  A 421 (-3.3A)
545  A 421 (-4.3A)
545  A 421 (-3.7A)
545  A 421 (-3.4A)
 1.26A 3n2oC-1jikA:
undetectable
3n2oD-1jikA:
undetectable		 3n2oC-1jikA:
22.88
3n2oD-1jikA:
22.88
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.
3NK7_B_SAMB770_0
(23S RRNA
METHYLTRANSFERASE)		 3dcm UNCHARACTERIZED
PROTEIN TM_1570
(Thermotoga
maritima) 		5 / 12 GLY X 141
GLY X 145
ILE X 161
LEU X 170
VAL X 172
 SAM  X5452 (-3.1A)
SAM  X5452 (-3.7A)
SAM  X5452 (-3.7A)
SAM  X5452 (-4.2A)
SAM  X5452 (-3.7A)
 0.47A 3nk7B-3dcmX:
14.2		 3nk7B-3dcmX:
18.98
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.
3SUE_D_SUED1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		5 / 12 GLN A 196
GLY A 198
GLY A  83
SER A 154
SER A 164
 545  A 421 (-3.4A)
None
None
None
None
 1.20A 3sueD-1jikA:
undetectable		 3sueD-1jikA:
20.37
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.
4A7T_A_5FWA1002_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		3 / 3 ASN A 124
TRP A 127
ASP A  40
 545  A 421 (-4.4A)
None
545  A 421 (-3.7A)
 0.87A 4a7tA-1jikA:
undetectable
4a7tF-1jikA:
undetectable		 4a7tA-1jikA:
16.67
4a7tF-1jikA:
16.67
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.
4FGZ_A_CQAA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 3dcm UNCHARACTERIZED
PROTEIN TM_1570
(Thermotoga
maritima) 		4 / 7 GLU X 149
GLU X 152
ARG X 116
GLY X 145
 None
None
None
SAM  X5452 (-3.7A)
 1.04A 4fgzA-3dcmX:
2.3		 4fgzA-3dcmX:
22.22
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.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		5 / 11 HIS A 108
SER A 104
TRP A 127
LEU A 128
GLY A  38
 None
None
None
None
545  A 421 (-4.2A)
 1.28A 4fogA-1jikA:
0.2		 4fogA-1jikA:
20.95
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.
4JXC_A_SAMA402_0
(FEFE-HYDROGENASE
MATURASE)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		5 / 12 TYR A  36
CYH A  37
SER A  82
GLY A 198
ILE A  71
 None
545  A 421 ( 4.2A)
None
None
None
 1.20A 4jxcA-1jikA:
1.0		 4jxcA-1jikA:
21.50
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.
4O8F_A_BRLA501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2ht6 GTP-BINDING PROTEIN
GEM
(Homo
sapiens) 		4 / 5 GLY A  87
LEU A 129
LEU A 231
LEU A 171
 GDP  A 545 (-3.3A)
None
None
None
 0.84A 4o8fA-2ht6A:
undetectable		 4o8fA-2ht6A:
17.73
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.
4RMJ_A_NCAA402_0
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2)		 3ig0 DNA GYRASE SUBUNIT B
(Mycobacterium
tuberculosis) 		4 / 7 ILE A 527
LEU A 563
LEU A 545
ILE A 556
 ILE  A 527 ( 0.6A)
LEU  A 563 ( 0.6A)
LEU  A 545 ( 0.6A)
ILE  A 556 ( 0.6A)
 0.87A 4rmjA-3ig0A:
undetectable		 4rmjA-3ig0A:
23.27
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.
4TXN_A_URFA302_1
(URIDINE
PHOSPHORYLASE)		 2ywv PHOSPHORIBOSYLAMINOI
MIDAZOLE
SUCCINOCARBOXAMIDE
SYNTHETASE
(Geobacillus
kaustophilus) 		4 / 7 GLY A 111
ARG A 173
ALA A  99
ILE A 175
 None
SO4  A 545 (-4.0A)
None
None
 0.94A 4txnA-2ywvA:
undetectable		 4txnA-2ywvA:
25.33
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.
4TXN_C_URFC302_1
(URIDINE
PHOSPHORYLASE)		 2ywv PHOSPHORIBOSYLAMINOI
MIDAZOLE
SUCCINOCARBOXAMIDE
SYNTHETASE
(Geobacillus
kaustophilus) 		4 / 7 GLY A 111
ARG A 173
ALA A  99
ILE A 175
 None
SO4  A 545 (-4.0A)
None
None
 0.95A 4txnC-2ywvA:
undetectable		 4txnC-2ywvA:
25.33
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.
4X3M_B_ADNB301_1
(RNA 2'-O RIBOSE
METHYLTRANSFERASE)		 3dcm UNCHARACTERIZED
PROTEIN TM_1570
(Thermotoga
maritima) 		5 / 9 LEU X 140
GLY X 141
ILE X 161
LEU X 170
VAL X 172
 SAM  X5452 (-4.5A)
SAM  X5452 (-3.1A)
SAM  X5452 (-3.7A)
SAM  X5452 (-4.2A)
SAM  X5452 (-3.7A)
 0.96A 4x3mB-3dcmX:
12.9		 4x3mB-3dcmX:
23.33
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.
5FEP_A_SAMA407_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		5 / 12 TYR A  36
CYH A  37
SER A  82
GLY A 198
ILE A  71
 None
545  A 421 ( 4.2A)
None
None
None
 1.17A 5fepA-1jikA:
1.5		 5fepA-1jikA:
20.42
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.
5FES_A_SAMA408_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		5 / 12 TYR A  36
CYH A  37
SER A  82
GLY A 198
ILE A  71
 None
545  A 421 ( 4.2A)
None
None
None
 1.19A 5fesA-1jikA:
1.5		 5fesA-1jikA:
20.42
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_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		5 / 7 ILE A 200
GLY A 198
LEU A 128
CYH A  37
ASP A  80
 None
None
None
545  A 421 ( 4.2A)
545  A 421 (-3.4A)
 1.31A 5hieB-1jikA:
undetectable		 5hieB-1jikA:
22.17
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.
5L0Z_A_SAMA304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		 3dcm UNCHARACTERIZED
PROTEIN TM_1570
(Thermotoga
maritima) 		6 / 12 THR X 111
GLY X 141
GLY X 145
ILE X 161
LEU X 170
ALA X 175
 SAM  X5452 (-3.9A)
SAM  X5452 (-3.1A)
SAM  X5452 (-3.7A)
SAM  X5452 (-3.7A)
SAM  X5452 (-4.2A)
SAM  X5452 (-3.3A)
 0.47A 5l0zA-3dcmX:
13.8		 5l0zA-3dcmX:
23.15
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.
5L0Z_B_SAMB304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		 3dcm UNCHARACTERIZED
PROTEIN TM_1570
(Thermotoga
maritima) 		6 / 10 THR X 111
GLY X 141
GLY X 145
ILE X 161
LEU X 170
ALA X 175
 SAM  X5452 (-3.9A)
SAM  X5452 (-3.1A)
SAM  X5452 (-3.7A)
SAM  X5452 (-3.7A)
SAM  X5452 (-4.2A)
SAM  X5452 (-3.3A)
 0.54A 5l0zB-3dcmX:
5.8		 5l0zB-3dcmX:
23.15
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.
5N5D_A_SAMA306_1
(METHYLTRANSFERASE)		 2wbv FIBER PROTEIN
(Canine
mastadenovirus
A) 		4 / 7 LEU A 512
PHE A 514
SER A 419
ILE A 477
 None
None
SIA  A1545 (-4.4A)
None
 1.06A 5n5dA-2wbvA:
undetectable		 5n5dA-2wbvA:
20.73
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.
6NM4_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9)		 1jik TYROSYL-TRNA
SYNTHETASE
(Staphylococcus
aureus) 		5 / 9 ILE A  71
ALA A  39
GLY A  38
GLY A  79
TYR A 170
 None
545  A 421 (-4.1A)
545  A 421 (-4.2A)
None
545  A 421 (-4.6A)
 1.14A 6nm4B-1jikA:
0.0		 6nm4B-1jikA:
18.27