SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1gr0'

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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 6 LYS A 184
LYS A 185
ASP A 188
ALA A 189
 None
 0.36A 1iwhA-1gr0A:
undetectable		 1iwhA-1gr0A:
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.
1MZ9_A_VDYA1002_1
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 4 ILE A  20
LEU A  30
VAL A  34
ALA A  40
 None
 0.97A 1mz9A-1gr0A:
undetectable		 1mz9A-1gr0A:
8.70
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.
1MZ9_A_VDYA1002_3
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 5 ILE A  20
LEU A  30
VAL A  34
ALA A  40
 None
 0.91A 1mz9C-1gr0A:
0.0		 1mz9C-1gr0A:
8.70
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.
1WRL_A_TFPA204_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 7 PHE A 168
LEU A 172
PHE A 186
VAL A 181
 None
NAD  A1000 (-4.3A)
None
None
 1.06A 1wrlA-1gr0A:
undetectable
1wrlB-1gr0A:
undetectable		 1wrlA-1gr0A:
13.52
1wrlB-1gr0A:
13.52
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.
2V7B_B_BEZB1529_0
(BENZOATE-COENZYME A
LIGASE)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 9 TYR A 145
ALA A  27
GLY A  24
GLY A  22
ILE A  20
 None
None
NAD  A1000 (-3.3A)
NAD  A1000 (-3.3A)
None
 1.21A 2v7bB-1gr0A:
3.1		 2v7bB-1gr0A:
23.52
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.
2VAV_H_CSCH1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  30
ARG A 358
TYR A 343
PHE A  64
VAL A  46
 None
 1.44A 2vavH-1gr0A:
3.2		 2vavH-1gr0A:
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.
2Y05_A_RALA801_1
(PROSTAGLANDIN
REDUCTASE 1)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 8 VAL A  21
SER A  86
TYR A 116
VAL A  70
 NAD  A1000 ( 4.8A)
None
NAD  A1000 (-4.6A)
NAD  A1000 (-4.5A)
 0.93A 2y05A-1gr0A:
5.4
2y05B-1gr0A:
5.5		 2y05A-1gr0A:
22.64
2y05B-1gr0A:
22.64
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.
2Z0Y_B_SAMB400_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0657)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 9 ALA A 340
VAL A 337
GLY A 195
ILE A 318
ALA A 324
 None
 0.94A 2z0yB-1gr0A:
2.7		 2z0yB-1gr0A:
20.86
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.
3BJW_C_SVRC507_2
(PHOSPHOLIPASE A2)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 6 VAL A  18
VAL A  65
GLN A 104
ARG A  17
 None
 0.97A 3bjwF-1gr0A:
0.0		 3bjwF-1gr0A:
14.60
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.
3BJW_E_SVRE510_2
(PHOSPHOLIPASE A2)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 6 VAL A  65
GLN A 104
GLY A  76
ARG A 105
 None
 0.91A 3bjwE-1gr0A:
undetectable		 3bjwE-1gr0A:
14.60
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.
3BJW_F_SVRF509_3
(PHOSPHOLIPASE A2)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 7 VAL A  65
GLN A 104
GLY A  76
ARG A 105
 None
 0.92A 3bjwF-1gr0A:
undetectable		 3bjwF-1gr0A:
14.60
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 8 SER A 311
VAL A  21
LEU A 146
PRO A 147
 ZN  A1200 ( 2.4A)
NAD  A1000 ( 4.8A)
None
NAD  A1000 (-4.1A)
 1.03A 3jq7C-1gr0A:
8.3		 3jq7C-1gr0A:
22.51
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.
3MEE_A_T27A561_1
(P66 REVERSE
TRANSCRIPTASE)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 344
VAL A 337
VAL A 169
PHE A 364
LEU A 361
 None
 1.21A 3meeA-1gr0A:
0.0		 3meeA-1gr0A:
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.
3MEG_A_T27A561_1
(P66 REVERSE
TRANSCRIPTASE)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 344
VAL A 337
VAL A 169
PHE A 364
LEU A 361
 None
 1.24A 3megA-1gr0A:
0.0		 3megA-1gr0A:
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.
4BB2_B_STRB1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 11 ALA A 153
SER A 150
PHE A 186
ILE A 176
ASN A 170
 NAD  A1000 ( 4.2A)
None
None
None
None
 1.26A 4bb2A-1gr0A:
0.0
4bb2B-1gr0A:
0.0		 4bb2A-1gr0A:
20.71
4bb2B-1gr0A:
5.72
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.
4NED_A_PFNA709_1
(LACTOTRANSFERRIN)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 6 VAL A  70
ASP A  69
SER A  86
ALA A  27
 NAD  A1000 (-4.5A)
NAD  A1000 (-2.9A)
None
None
 1.21A 4nedA-1gr0A:
0.4		 4nedA-1gr0A:
23.13
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.
5CYM_A_T27A601_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 344
VAL A 337
VAL A 169
PHE A 364
LEU A 361
 None
 1.25A 5cymA-1gr0A:
0.0		 5cymA-1gr0A:
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.
5CYQ_A_T27A601_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 344
VAL A 337
VAL A 169
PHE A 364
LEU A 361
 None
 1.26A 5cyqA-1gr0A:
undetectable		 5cyqA-1gr0A:
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.
5JQ7_B_T0RB705_1
(ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN 1
ENVELOPE
GLYCOPROTEIN 2)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 7 VAL A  21
LEU A 146
LEU A 142
LEU A 134
 NAD  A1000 ( 4.8A)
None
None
None
 0.65A 5jq7A-1gr0A:
0.0		 5jq7A-1gr0A:
21.59
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.
5UVM_B_ADNB207_1
(HISTIDINE TRIAD
(HIT) PROTEIN)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 VAL A  18
PHE A  64
ILE A  20
ILE A 318
VAL A  62
 None
 0.88A 5uvmB-1gr0A:
undetectable		 5uvmB-1gr0A:
16.08
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.
6ELI_A_T27A701_1
(REVERSE
TRANSCRIPTASE)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 344
VAL A 337
VAL A 169
PHE A 364
LEU A 361
 None
 1.22A 6eliA-1gr0A:
0.0		 6eliA-1gr0A:
14.53
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.
6J21_A_GBQA1201_0
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)		 1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 ILE A 319
VAL A 322
ILE A  93
VAL A  59
PHE A  64
 None
 1.01A 6j21A-1gr0A:
0.0		 6j21A-1gr0A:
20.75