SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3inn'

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.
1E7B_B_HLTB4002_1
(SERUM ALBUMIN)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		4 / 4 ARG A 169
ALA A 144
ALA A  44
GLU A  47
 None
 1.24A 1e7bB-3innA:
undetectable		 1e7bB-3innA:
20.27
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.
1FFY_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		5 / 12 HIS A  34
GLY A  36
GLY A 147
ASP A 150
VAL A 176
 ATP  A 300 (-4.5A)
ATP  A 300 ( 4.1A)
ATP  A 300 (-3.4A)
ATP  A 300 (-3.6A)
ATP  A 300 (-4.0A)
 0.96A 1ffyA-3innA:
4.6		 1ffyA-3innA:
15.26
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.
1L7F_A_BCZA801_1
(NEURAMINIDASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		3 / 3 ARG A 187
ARG A  73
ARG A 121
 UNX  A 303 ( 3.2A)
None
UNX  A 303 ( 3.3A)
 0.80A 1l7fA-3innA:
undetectable		 1l7fA-3innA:
18.80
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.
1L7H_A_BCZA801_1
(NEURAMINIDASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		3 / 3 ARG A 187
ARG A  73
ARG A 121
 UNX  A 303 ( 3.2A)
None
UNX  A 303 ( 3.3A)
 0.83A 1l7hA-3innA:
undetectable		 1l7hA-3innA:
18.80
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)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		5 / 11 HIS A  34
GLY A  36
HIS A  37
ASP A 150
VAL A 176
 ATP  A 300 (-4.5A)
ATP  A 300 ( 4.1A)
ATP  A 300 (-4.0A)
ATP  A 300 (-3.6A)
ATP  A 300 (-4.0A)
 0.79A 1pg2A-3innA:
6.1		 1pg2A-3innA:
20.93
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)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		6 / 12 HIS A  34
GLY A  36
HIS A  37
GLY A 147
ASP A 150
VAL A 176
 ATP  A 300 (-4.5A)
ATP  A 300 ( 4.1A)
ATP  A 300 (-4.0A)
ATP  A 300 (-3.4A)
ATP  A 300 (-3.6A)
ATP  A 300 (-4.0A)
 1.01A 1qu2A-3innA:
4.7		 1qu2A-3innA:
15.26
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.
1QU3_A_MRCA993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		5 / 12 HIS A  34
GLY A  36
HIS A  37
ASP A 150
VAL A 176
 ATP  A 300 (-4.5A)
ATP  A 300 ( 4.1A)
ATP  A 300 (-4.0A)
ATP  A 300 (-3.6A)
ATP  A 300 (-4.0A)
 1.00A 1qu3A-3innA:
4.8		 1qu3A-3innA:
15.26
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.
1TW4_A_CHDA130_0
(FATTY ACID-BINDING
PROTEIN)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		5 / 12 LEU A 206
LEU A 182
ALA A 199
THR A 272
ILE A 242
 None
 1.13A 1tw4A-3innA:
undetectable		 1tw4A-3innA:
17.88
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.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		5 / 12 ILE A 261
ALA A 255
ASP A 218
MET A 217
ILE A 244
 None
 1.07A 2bl9A-3innA:
undetectable		 2bl9A-3innA:
20.06
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.
2F7F_A_NIOA602_1
(NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE, PUTATIVE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		4 / 5 HIS A   5
ILE A   4
PRO A  93
ASP A  97
 None
 1.25A 2f7fA-3innA:
1.3		 2f7fA-3innA:
21.78
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.
2VE3_A_REAA1445_1
(PUTATIVE CYTOCHROME
P450 120)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		5 / 12 THR A  29
ALA A  92
LEU A  75
ALA A  79
VAL A  87
 ATP  A 300 ( 4.5A)
None
None
None
None
 0.98A 2ve3A-3innA:
undetectable		 2ve3A-3innA:
21.41
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.
3AQI_A_CHDA3_0
(FERROCHELATASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		3 / 3 PRO A  28
LEU A  40
ARG A  43
 ATP  A 300 (-4.9A)
ATP  A 300 (-4.7A)
None
 0.88A 3aqiA-3innA:
2.4		 3aqiA-3innA:
22.37
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.
3EKY_A_DR7A100_2
(PROTEASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		5 / 9 ILE A 116
GLY A 118
PRO A 110
VAL A 109
ILE A 156
 None
 1.22A 3ekyB-3innA:
undetectable		 3ekyB-3innA:
17.84
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.
3FPJ_A_SAMA301_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		5 / 12 ILE A  24
GLY A  25
VAL A  50
ALA A 143
VAL A 139
 None
 0.94A 3fpjA-3innA:
undetectable		 3fpjA-3innA:
23.56
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.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		4 / 6 GLN A 153
HIS A  37
HIS A  34
ASP A 150
 ATP  A 300 (-2.9A)
ATP  A 300 (-4.0A)
ATP  A 300 (-4.5A)
ATP  A 300 (-3.6A)
 0.97A 3nvcA-3innA:
undetectable		 3nvcA-3innA:
24.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UY4_A_PAUA302_0
(PANTOTHENATE
SYNTHETASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		6 / 8 ARG A 121
HIS A 124
VAL A 128
VAL A 132
ASP A 150
ARG A 187
 UNX  A 303 ( 3.3A)
UNX  A 302 ( 4.5A)
ATP  A 300 ( 4.5A)
None
ATP  A 300 (-3.6A)
UNX  A 303 ( 3.2A)
 1.46A 3uy4A-3innA:
40.7		 3uy4A-3innA:
39.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UY4_A_PAUA302_0
(PANTOTHENATE
SYNTHETASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		8 / 8 GLN A  61
ARG A 121
HIS A 124
VAL A 128
VAL A 131
ASP A 150
GLN A 153
ARG A 187
 ATP  A 300 (-3.1A)
UNX  A 303 ( 3.3A)
UNX  A 302 ( 4.5A)
ATP  A 300 ( 4.5A)
None
ATP  A 300 (-3.6A)
ATP  A 300 (-2.9A)
UNX  A 303 ( 3.2A)
 0.37A 3uy4A-3innA:
40.7		 3uy4A-3innA:
39.34
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.
3WRK_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		4 / 5 PHE A 125
LEU A 275
ILE A 156
VAL A 155
 None
 0.86A 3wrkA-3innA:
undetectable		 3wrkA-3innA:
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.
4K0B_B_SAMB504_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		4 / 8 ARG A  73
ASP A  78
LEU A  75
ILE A   3
 None
 0.96A 4k0bA-3innA:
undetectable		 4k0bA-3innA:
22.74
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.
4KUK_A_RBFA201_2
(BLUE-LIGHT
PHOTORECEPTOR)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		6 / 9 LEU A 212
VAL A 263
ILE A 261
ARG A 245
LEU A 253
ILE A 280
 None
 1.42A 4kukA-3innA:
undetectable		 4kukA-3innA:
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.
4LMN_A_EUIA503_2
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		3 / 3 ASP A 150
VAL A 171
ASN A 277
 ATP  A 300 (-3.6A)
None
None
 0.77A 4lmnA-3innA:
undetectable		 4lmnA-3innA:
22.40
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.
4RP8_C_ASCC501_1
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		3 / 3 SER A 186
TYR A  71
ASP A  78
 ATP  A 300 ( 4.9A)
None
None
 0.89A 4rp8C-3innA:
undetectable		 4rp8C-3innA:
19.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HG0_A_SAMA301_0
(PANTOTHENATE
SYNTHETASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		10 / 12 HIS A  34
GLY A  36
LEU A  40
GLN A  61
TYR A  71
VAL A 131
GLY A 147
LYS A 149
ASP A 150
THR A 175
 ATP  A 300 (-4.5A)
ATP  A 300 ( 4.1A)
ATP  A 300 (-4.7A)
ATP  A 300 (-3.1A)
None
None
ATP  A 300 (-3.4A)
ATP  A 300 (-4.8A)
ATP  A 300 (-3.6A)
ATP  A 300 (-4.4A)
 0.53A 5hg0A-3innA:
33.5		 5hg0A-3innA:
35.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HG0_B_SAMB301_0
(PANTOTHENATE
SYNTHETASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		6 / 12 GLY A  36
HIS A  34
TYR A  71
GLY A 147
ASP A 150
THR A 175
 ATP  A 300 ( 4.1A)
ATP  A 300 (-4.5A)
None
ATP  A 300 (-3.4A)
ATP  A 300 (-3.6A)
ATP  A 300 (-4.4A)
 1.39A 5hg0B-3innA:
33.3		 5hg0B-3innA:
35.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HG0_B_SAMB301_0
(PANTOTHENATE
SYNTHETASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		9 / 12 HIS A  34
GLY A  36
HIS A  37
LEU A  40
TYR A  71
VAL A 131
GLY A 147
ASP A 150
THR A 175
 ATP  A 300 (-4.5A)
ATP  A 300 ( 4.1A)
ATP  A 300 (-4.0A)
ATP  A 300 (-4.7A)
None
None
ATP  A 300 (-3.4A)
ATP  A 300 (-3.6A)
ATP  A 300 (-4.4A)
 0.36A 5hg0B-3innA:
33.3		 5hg0B-3innA:
35.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HG0_B_SAMB301_0
(PANTOTHENATE
SYNTHETASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		9 / 12 HIS A  34
HIS A  37
LEU A  40
TYR A  71
VAL A 131
GLY A 147
LYS A 149
ASP A 150
THR A 175
 ATP  A 300 (-4.5A)
ATP  A 300 (-4.0A)
ATP  A 300 (-4.7A)
None
None
ATP  A 300 (-3.4A)
ATP  A 300 (-4.8A)
ATP  A 300 (-3.6A)
ATP  A 300 (-4.4A)
 0.57A 5hg0B-3innA:
33.3		 5hg0B-3innA:
35.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HG0_B_SAMB301_0
(PANTOTHENATE
SYNTHETASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		6 / 12 HIS A  34
TYR A  71
GLY A 147
LYS A 149
ASP A 150
THR A 175
 ATP  A 300 (-4.5A)
None
ATP  A 300 (-3.4A)
ATP  A 300 (-4.8A)
ATP  A 300 (-3.6A)
ATP  A 300 (-4.4A)
 1.20A 5hg0B-3innA:
33.3		 5hg0B-3innA:
35.81
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		4 / 5 ILE A 170
LEU A  52
GLY A  25
PHE A  26
 None
 0.96A 5kmdC-3innA:
undetectable
5kmdD-3innA:
undetectable		 5kmdC-3innA:
20.06
5kmdD-3innA:
20.06
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.
5KOC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		5 / 12 SER A  54
GLN A 153
VAL A 173
LEU A  40
HIS A  37
 None
ATP  A 300 (-2.9A)
None
ATP  A 300 (-4.7A)
ATP  A 300 (-4.0A)
 1.20A 5kocB-3innA:
undetectable		 5kocB-3innA:
21.88
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.
6G1P_B_ACTB403_0
(ADP-RIBOSYLHYDROLASE
LIKE 2)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		3 / 3 PHE A  62
ARG A 121
GLN A  61
 UNX  A 303 ( 4.0A)
UNX  A 303 ( 3.3A)
ATP  A 300 (-3.1A)
 1.17A 6g1pB-3innA:
undetectable		 6g1pB-3innA:
22.97