SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4xt8'

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.
1I9G_A_SAMA301_1
(HYPOTHETICAL PROTEIN
RV2118C)		 4xt8 RV2671
(Mycobacterium
tuberculosis) 		3 / 3 GLU A  76
HIS A 105
ASP A  33
 None
 0.83A 1i9gA-4xt8A:
undetectable		 1i9gA-4xt8A:
24.05
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.
1ICR_B_NIOB602_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 4xt8 RV2671
(Mycobacterium
tuberculosis) 		4 / 5 GLU A  91
GLY A 195
SER A  59
PHE A  45
 TMQ  A 302 ( 3.2A)
NAP  A 301 (-3.4A)
TMQ  A 302 ( 3.0A)
NAP  A 301 ( 4.1A)
 1.24A 1icrA-4xt8A:
undetectable
1icrB-4xt8A:
undetectable		 1icrA-4xt8A:
25.09
1icrB-4xt8A:
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.
1ICV_D_NIOD706_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 4xt8 RV2671
(Mycobacterium
tuberculosis) 		4 / 5 GLU A  91
GLY A 195
SER A  59
PHE A  45
 TMQ  A 302 ( 3.2A)
NAP  A 301 (-3.4A)
TMQ  A 302 ( 3.0A)
NAP  A 301 ( 4.1A)
 1.26A 1icvC-4xt8A:
undetectable
1icvD-4xt8A:
undetectable		 1icvC-4xt8A:
25.09
1icvD-4xt8A:
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.
3FWF_A_CAMA420_0
(CAMPHOR
5-MONOOXYGENASE)		 4xt8 RV2671
(Mycobacterium
tuberculosis) 		4 / 7 THR A 152
LEU A 126
VAL A  85
VAL A 173
 None
None
NAP  A 301 (-4.3A)
NAP  A 301 (-3.9A)
 1.03A 3fwfA-4xt8A:
undetectable		 3fwfA-4xt8A:
22.90
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.
3L63_A_CAMA440_0
(CAMPHOR
5-MONOOXYGENASE)		 4xt8 RV2671
(Mycobacterium
tuberculosis) 		4 / 7 THR A 152
LEU A 126
VAL A  85
VAL A 173
 None
None
NAP  A 301 (-4.3A)
NAP  A 301 (-3.9A)
 1.00A 3l63A-4xt8A:
undetectable		 3l63A-4xt8A:
22.80
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.
3NDT_A_ROCA101_2
(PROTEASE)		 4xt8 RV2671
(Mycobacterium
tuberculosis) 		3 / 3 ARG A 122
VAL A 162
THR A 152
 PEG  A 305 ( 3.6A)
None
None
 0.77A 3ndtA-4xt8A:
undetectable		 3ndtA-4xt8A:
18.58
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.
3WRL_E_CAME503_0
(CAMPHOR
5-MONOOXYGENASE)		 4xt8 RV2671
(Mycobacterium
tuberculosis) 		4 / 7 THR A 152
LEU A 126
VAL A  85
VAL A 173
 None
None
NAP  A 301 (-4.3A)
NAP  A 301 (-3.9A)
 1.03A 3wrlE-4xt8A:
undetectable		 3wrlE-4xt8A:
22.72
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.
4EJJ_B_NCTB501_1
(CYTOCHROME P450 2A6)		 4xt8 RV2671
(Mycobacterium
tuberculosis) 		4 / 7 VAL A  85
GLY A 124
THR A 152
PHE A 133
 NAP  A 301 (-4.3A)
None
None
None
 0.99A 4ejjB-4xt8A:
undetectable		 4ejjB-4xt8A:
22.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XT7_A_TOPA302_1
(RV2671)		 4xt8 RV2671
(Mycobacterium
tuberculosis) 		11 / 11 ASN A  44
ILE A  46
THR A  58
SER A  59
GLY A  60
ASP A  67
ARG A  68
PHE A  71
GLU A  91
GLU A 193
THR A 214
 TMQ  A 302 (-2.9A)
TMQ  A 302 ( 3.5A)
NAP  A 301 (-4.6A)
TMQ  A 302 ( 3.0A)
TMQ  A 302 ( 3.9A)
TMQ  A 302 (-2.7A)
None
TMQ  A 302 (-3.6A)
TMQ  A 302 ( 3.2A)
None
TMQ  A 302 (-4.0A)
 0.45A 4xt7A-4xt8A:
44.0		 4xt7A-4xt8A:
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.
5C0O_G_SAMG301_1
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 4xt8 RV2671
(Mycobacterium
tuberculosis) 		3 / 3 GLU A  76
HIS A 105
ASP A  33
 None
 0.87A 5c0oG-4xt8A:
undetectable		 5c0oG-4xt8A:
23.29
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.
5CZY_A_SAMA603_0
(LEGIONELLA EFFECTOR
LEGAS4)		 4xt8 RV2671
(Mycobacterium
tuberculosis) 		5 / 12 SER A  59
TYR A 252
ASN A  44
GLU A  91
LEU A 191
 TMQ  A 302 ( 3.0A)
None
TMQ  A 302 (-2.9A)
TMQ  A 302 ( 3.2A)
None
 1.28A 5czyA-4xt8A:
undetectable		 5czyA-4xt8A:
20.08
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.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)		 4xt8 RV2671
(Mycobacterium
tuberculosis) 		5 / 9 ALA A  43
LEU A 198
GLY A 194
LEU A 199
LEU A 208
 None
NAP  A 301 (-3.7A)
NAP  A 301 (-3.7A)
None
None
 1.12A 5dqfA-4xt8A:
undetectable		 5dqfA-4xt8A:
18.26
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.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)		 4xt8 RV2671
(Mycobacterium
tuberculosis) 		5 / 9 ALA A  43
LEU A 198
GLY A 195
LEU A 199
LEU A 208
 None
NAP  A 301 (-3.7A)
NAP  A 301 (-3.4A)
None
None
 0.95A 5dqfA-4xt8A:
undetectable		 5dqfA-4xt8A:
18.26
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.
5FPD_A_PZAA1385_0
(HEAT SHOCK-RELATED
70KDA PROTEIN 2)		 4xt8 RV2671
(Mycobacterium
tuberculosis) 		4 / 7 VAL A 179
SER A 180
ALA A 183
GLY A  38
 None
 0.93A 5fpdA-4xt8A:
undetectable		 5fpdA-4xt8A:
22.77
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.
5X19_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 4xt8 RV2671
(Mycobacterium
tuberculosis) 		4 / 6 ARG A 155
LEU A 156
PHE A 133
LEU A 126
 None
 1.22A 5x19P-4xt8A:
undetectable		 5x19P-4xt8A:
21.57
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		 4xt8 RV2671
(Mycobacterium
tuberculosis) 		4 / 8 ALA A 216
THR A 214
THR A 253
ALA A  43
 None
TMQ  A 302 (-4.0A)
None
None
 0.92A 5x2tI-4xt8A:
undetectable
5x2tJ-4xt8A:
undetectable
5x2tK-4xt8A:
undetectable
5x2tL-4xt8A:
undetectable		 5x2tI-4xt8A:
19.92
5x2tJ-4xt8A:
22.92
5x2tK-4xt8A:
19.92
5x2tL-4xt8A:
22.92