SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2qvb'

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.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 2qvb HALOALKANE
DEHALOGENASE 3
(Mycobacterium
tuberculosis) 		5 / 12 HIS A 108
PHE A 170
PHE A 152
ALA A 178
ASP A 109
 None
CL  A   2 ( 4.7A)
EDO  A   1 ( 4.9A)
EDO  A   1 ( 3.7A)
CL  A   2 ( 4.8A)
 1.23A 1a4lA-2qvbA:
undetectable		 1a4lA-2qvbA:
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.
1GXS_A_BEZA601_0
(P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B)		 2qvb HALOALKANE
DEHALOGENASE 3
(Mycobacterium
tuberculosis) 		4 / 7 GLY A  10
PRO A  12
ASP A  63
ALA A  69
 None
 0.98A 1gxsA-2qvbA:
8.3
1gxsB-2qvbA:
0.9		 1gxsA-2qvbA:
24.17
1gxsB-2qvbA:
19.21
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.
2NV4_A_SAMA201_0
(UPF0066 PROTEIN
AF_0241)		 2qvb HALOALKANE
DEHALOGENASE 3
(Mycobacterium
tuberculosis) 		5 / 12 GLN A  36
GLN A 121
TYR A  83
GLY A  84
ASP A 117
 None
 1.09A 2nv4A-2qvbA:
undetectable		 2nv4A-2qvbA:
20.60
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.
2NV4_B_SAMB202_0
(UPF0066 PROTEIN
AF_0241)		 2qvb HALOALKANE
DEHALOGENASE 3
(Mycobacterium
tuberculosis) 		5 / 12 GLN A  36
GLN A 121
TYR A  83
GLY A  84
ASP A 117
 None
 1.15A 2nv4B-2qvbA:
undetectable		 2nv4B-2qvbA:
20.60
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 2qvb HALOALKANE
DEHALOGENASE 3
(Mycobacterium
tuberculosis) 		4 / 5 LEU A 224
ILE A 135
SER A 112
GLY A 115
 None
 0.71A 2otfA-2qvbA:
undetectable		 2otfA-2qvbA:
19.01
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.
3ELZ_C_CHDC151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2qvb HALOALKANE
DEHALOGENASE 3
(Mycobacterium
tuberculosis) 		5 / 10 ILE A  49
ILE A 283
VAL A 269
GLY A 271
LEU A  45
 None
 1.24A 3elzC-2qvbA:
undetectable		 3elzC-2qvbA:
18.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FBW_A_BEZA501_0
(HALOALKANE
DEHALOGENASE)		 2qvb HALOALKANE
DEHALOGENASE 3
(Mycobacterium
tuberculosis) 		7 / 9 ASN A  39
ASP A 109
TRP A 110
PHE A 152
PHE A 170
LEU A 212
HIS A 273
 CL  A   2 (-4.4A)
CL  A   2 ( 4.8A)
CL  A   2 (-4.6A)
EDO  A   1 ( 4.9A)
CL  A   2 ( 4.7A)
CL  A   2 ( 4.7A)
EDO  A   1 (-3.8A)
 0.36A 3fbwA-2qvbA:
44.7		 3fbwA-2qvbA:
43.93
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.
3JWQ_C_VIAC901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 2qvb HALOALKANE
DEHALOGENASE 3
(Mycobacterium
tuberculosis) 		4 / 7 HIS A 108
MET A 139
PHE A 152
VAL A 148
 None
None
EDO  A   1 ( 4.9A)
None
 1.16A 3jwqC-2qvbA:
undetectable		 3jwqC-2qvbA:
21.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4F5Z_A_BEZA302_0
(HALOALKANE
DEHALOGENASE)		 2qvb HALOALKANE
DEHALOGENASE 3
(Mycobacterium
tuberculosis) 		7 / 8 ASN A  39
ASP A 109
TRP A 110
PHE A 170
VAL A 174
LEU A 212
HIS A 273
 CL  A   2 (-4.4A)
CL  A   2 ( 4.8A)
CL  A   2 (-4.6A)
CL  A   2 ( 4.7A)
EDO  A   1 (-4.8A)
CL  A   2 ( 4.7A)
EDO  A   1 (-3.8A)
 0.25A 4f5zA-2qvbA:
44.9		 4f5zA-2qvbA:
43.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4F5Z_A_BEZA302_0
(HALOALKANE
DEHALOGENASE)		 2qvb HALOALKANE
DEHALOGENASE 3
(Mycobacterium
tuberculosis) 		4 / 8 ASP A 109
TRP A 110
PHE A 152
HIS A 273
 CL  A   2 ( 4.8A)
CL  A   2 (-4.6A)
EDO  A   1 ( 4.9A)
EDO  A   1 (-3.8A)
 1.08A 4f5zA-2qvbA:
44.9		 4f5zA-2qvbA:
43.93
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.
4KIC_A_SAMA401_0
(METHYLTRANSFERASE
MPPJ)		 2qvb HALOALKANE
DEHALOGENASE 3
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 271
GLY A 247
ILE A 179
ALA A 178
ARG A 181
 None
None
None
EDO  A   1 ( 3.7A)
None
 1.12A 4kicA-2qvbA:
undetectable		 4kicA-2qvbA:
22.56
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.
4KIC_B_SAMB401_0
(METHYLTRANSFERASE
MPPJ)		 2qvb HALOALKANE
DEHALOGENASE 3
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 271
GLY A 247
ILE A 179
ALA A 178
ARG A 181
 None
None
None
EDO  A   1 ( 3.7A)
None
 1.12A 4kicB-2qvbA:
2.4		 4kicB-2qvbA:
22.56
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.
4W5T_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		 2qvb HALOALKANE
DEHALOGENASE 3
(Mycobacterium
tuberculosis) 		4 / 5 TYR A  24
LYS A  13
PRO A  12
GLU A  27
 None
 1.48A 4w5tA-2qvbA:
2.8		 4w5tA-2qvbA:
16.75
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.
5DZK_O_BEZO801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2qvb HALOALKANE
DEHALOGENASE 3
(Mycobacterium
tuberculosis) 		4 / 6 PHE A 195
PRO A 204
MET A  67
LEU A 206
 None
 1.49A 5dzka-2qvbA:
undetectable
5dzko-2qvbA:
undetectable		 5dzka-2qvbA:
22.73
5dzko-2qvbA:
4.65
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.
5IK1_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 2qvb HALOALKANE
DEHALOGENASE 3
(Mycobacterium
tuberculosis) 		4 / 7 GLY A 100
VAL A  60
ILE A  33
VAL A  34
 None
 0.77A 5ik1A-2qvbA:
undetectable		 5ik1A-2qvbA:
19.76
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.
5VOO_D_C2FD3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2qvb HALOALKANE
DEHALOGENASE 3
(Mycobacterium
tuberculosis) 		5 / 12 GLU A 282
MET A 132
VAL A 106
GLY A 284
ILE A 283
 None
 1.16A 5vooD-2qvbA:
undetectable		 5vooD-2qvbA:
23.08
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.
5VOO_E_C2FE3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2qvb HALOALKANE
DEHALOGENASE 3
(Mycobacterium
tuberculosis) 		5 / 12 GLU A 282
MET A 132
VAL A 106
GLY A 284
ILE A 283
 None
 1.18A 5vooE-2qvbA:
undetectable		 5vooE-2qvbA:
23.08
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.
5VW5_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		 2qvb HALOALKANE
DEHALOGENASE 3
(Mycobacterium
tuberculosis) 		4 / 8 GLY A  38
GLY A 111
LEU A 114
ALA A 113
 None
 0.70A 5vw5A-2qvbA:
undetectable		 5vw5A-2qvbA:
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.
5YSI_A_NCAA1001_0
(UBIQUITINATING/DEUBI
QUITINATING ENZYME
SDEA)		 2qvb HALOALKANE
DEHALOGENASE 3
(Mycobacterium
tuberculosis) 		4 / 6 ARG A 210
GLY A 160
SER A 207
THR A 205
 None
 1.24A 5ysiA-2qvbA:
undetectable		 5ysiA-2qvbA:
19.10
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.
5ZWR_A_9KLA402_0
(EST-Y29)		 2qvb HALOALKANE
DEHALOGENASE 3
(Mycobacterium
tuberculosis) 		5 / 12 ILE A 249
ARG A 255
HIS A 273
GLY A 271
ALA A 244
 None
None
EDO  A   1 (-3.8A)
None
None
 1.11A 5zwrA-2qvbA:
undetectable		 5zwrA-2qvbA:
22.38
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.
6FGD_A_ACTA812_0
(GEPHYRIN)		 2qvb HALOALKANE
DEHALOGENASE 3
(Mycobacterium
tuberculosis) 		4 / 6 GLU A 187
ARG A 181
PHE A   4
PRO A 280
 None
 1.42A 6fgdA-2qvbA:
2.0		 6fgdA-2qvbA:
22.60