SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4kw5'

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.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 143
VAL A 146
SER A 141
ASP A 130
ILE A 127
 None
 1.21A 1pk9C-4kw5A:
undetectable		 1pk9C-4kw5A:
20.43
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.
1ZLQ_A_ACTA1502_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		4 / 5 PRO A 380
GLY A 143
ASN A 144
GLY A 140
 None
 1.10A 1zlqA-4kw5A:
undetectable		 1zlqA-4kw5A:
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.
2JB7_B_ACTB1169_0
(HYPOTHETICAL PROTEIN
PAE2307)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		3 / 3 ARG A 223
ARG A 304
ARG A 247
 None
 0.83A 2jb7A-4kw5A:
undetectable
2jb7B-4kw5A:
undetectable
2jb7C-4kw5A:
undetectable		 2jb7A-4kw5A:
16.56
2jb7B-4kw5A:
16.56
2jb7C-4kw5A:
16.56
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.
2JB7_B_ACTB1169_0
(HYPOTHETICAL PROTEIN
PAE2307)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		3 / 3 ARG A 247
ARG A 223
ARG A 304
 None
 0.80A 2jb7A-4kw5A:
undetectable
2jb7B-4kw5A:
undetectable
2jb7C-4kw5A:
undetectable		 2jb7A-4kw5A:
16.56
2jb7B-4kw5A:
16.56
2jb7C-4kw5A:
16.56
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.
2JB7_B_ACTB1169_0
(HYPOTHETICAL PROTEIN
PAE2307)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		3 / 3 ARG A 304
ARG A 247
ARG A 223
 None
 0.81A 2jb7A-4kw5A:
undetectable
2jb7B-4kw5A:
undetectable
2jb7C-4kw5A:
undetectable		 2jb7A-4kw5A:
16.56
2jb7B-4kw5A:
16.56
2jb7C-4kw5A:
16.56
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.
3ELZ_C_CHDC150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		5 / 12 THR A 122
VAL A 121
VAL A  90
LEU A 110
ILE A 189
 FAD  A 501 (-2.9A)
FAD  A 501 (-3.7A)
None
None
None
 1.16A 3elzC-4kw5A:
undetectable		 3elzC-4kw5A:
14.41
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.
3M6V_A_SAMA465_0
(RRNA METHYLASE)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 126
GLY A 177
GLY A 179
PRO A 116
LEU A  98
 None
None
FAD  A 501 (-3.3A)
FAD  A 501 (-4.5A)
None
 1.05A 3m6vA-4kw5A:
undetectable		 3m6vA-4kw5A:
24.63
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.
3M6V_B_SAMB465_0
(RRNA METHYLASE)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 126
GLY A 177
GLY A 179
PRO A 116
LEU A  98
 None
None
FAD  A 501 (-3.3A)
FAD  A 501 (-4.5A)
None
 1.05A 3m6vB-4kw5A:
undetectable		 3m6vB-4kw5A:
24.63
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.
3M6W_A_SAMA465_0
(RRNA METHYLASE)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 126
GLY A 177
GLY A 179
PRO A 116
LEU A  98
 None
None
FAD  A 501 (-3.3A)
FAD  A 501 (-4.5A)
None
 1.05A 3m6wA-4kw5A:
undetectable		 3m6wA-4kw5A:
24.63
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.
3UAW_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 143
VAL A 146
SER A 141
ASP A 130
ILE A 127
 None
 1.24A 3uawA-4kw5A:
undetectable		 3uawA-4kw5A:
21.13
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.
4C49_B_HCYB1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 388
THR A 212
ILE A 351
PHE A 231
HIS A 216
 None
 1.48A 4c49B-4kw5A:
undetectable		 4c49B-4kw5A:
21.75
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.
4DJF_B_C2FB300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		5 / 12 ILE A 184
LEU A 151
GLY A 176
SER A 378
ARG A 372
 FAD  A 501 (-3.8A)
None
None
None
None
 1.41A 4djfB-4kw5A:
undetectable		 4djfB-4kw5A:
22.73
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.
4E0F_A_RBFA301_1
(RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		5 / 11 LEU A 161
THR A 162
TRP A 172
THR A 181
VAL A 444
 None
 1.23A 4e0fA-4kw5A:
undetectable		 4e0fA-4kw5A:
18.36
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.
4L39_A_SALA602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		4 / 6 LEU A 161
ARG A 159
THR A 153
GLY A 182
 None
 1.02A 4l39A-4kw5A:
undetectable		 4l39A-4kw5A:
22.95
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.
4MMF_A_29QA603_1
(TRANSPORTER)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		5 / 9 ASP A 445
VAL A  39
ALA A  40
GLY A 182
GLY A 156
 None
 1.09A 4mmfA-4kw5A:
undetectable		 4mmfA-4kw5A:
23.63
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.
4N49_A_SAMA601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 412
PHE A 410
ILE A 213
THR A 212
LEU A 209
 None
 1.02A 4n49A-4kw5A:
undetectable		 4n49A-4kw5A:
22.76
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.
4QVV_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		4 / 8 THR A 181
GLY A 177
GLY A 176
VAL A 175
 None
 0.83A 4qvvK-4kw5A:
undetectable
4qvvL-4kw5A:
undetectable		 4qvvK-4kw5A:
18.45
4qvvL-4kw5A:
20.04
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.
4QVV_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		4 / 8 THR A 181
GLY A 177
GLY A 176
VAL A 175
 None
 0.82A 4qvvY-4kw5A:
undetectable
4qvvZ-4kw5A:
undetectable		 4qvvY-4kw5A:
18.45
4qvvZ-4kw5A:
20.04
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.
4V2Z_C_Y70C151_1
(CEREBLON ISOFORM 4)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		4 / 8 ASN A 385
PHE A 369
PHE A 337
TYR A 431
 1W6  A 502 ( 4.3A)
None
None
None
 1.34A 4v2zC-4kw5A:
undetectable		 4v2zC-4kw5A:
14.86
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.
5C0O_E_SAME301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 451
GLY A  48
GLY A  50
GLY A  68
ALA A  43
 None
 1.18A 5c0oE-4kw5A:
undetectable		 5c0oE-4kw5A:
20.50
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.
5FHZ_C_REAC602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		5 / 10 GLY A 176
LEU A 377
TRP A 437
GLN A  65
LEU A 180
 None
 1.30A 5fhzC-4kw5A:
undetectable		 5fhzC-4kw5A:
23.02
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.
5J4N_A_AG2A501_1
(ARGININE/AGMATINE
ANTIPORTER)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		4 / 6 SER A 378
GLY A 143
ASN A 144
ILE A 131
 None
None
None
FAD  A 501 (-3.7A)
 1.02A 5j4nA-4kw5A:
undetectable		 5j4nA-4kw5A:
23.93
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.
5NUK_A_Z80A201_1
(BETA-LACTOGLOBULIN)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		5 / 10 ALA A  43
VAL A  42
ILE A  72
ILE A 183
PHE A 450
 None
None
None
FAD  A 501 ( 4.7A)
None
 1.19A 5nukA-4kw5A:
undetectable		 5nukA-4kw5A:
12.86
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.
5TE8_B_08JB602_1
(CYTOCHROME P450 3A4)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		4 / 8 LEU A 377
ALA A 173
ILE A 127
ALA A 128
 None
None
None
FAD  A 501 (-3.4A)
 0.79A 5te8B-4kw5A:
undetectable		 5te8B-4kw5A:
20.82
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.
5W4Z_A_RBFA502_2
(RIBOFLAVIN LYASE)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		4 / 5 ASN A  97
GLN A 100
ASP A  99
ARG A 119
 None
 1.10A 5w4zA-4kw5A:
undetectable		 5w4zA-4kw5A:
9.49
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.
6EXI_C_ADNC503_0
(ADENOSYLHOMOCYSTEINA
SE)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  55
GLY A  57
THR A 122
ASN A  97
GLN A 100
 FAD  A 501 (-3.1A)
FAD  A 501 (-3.2A)
FAD  A 501 (-2.9A)
None
None
 1.12A 6exiC-4kw5A:
undetectable
6exiD-4kw5A:
undetectable		 6exiC-4kw5A:
9.37
6exiD-4kw5A:
9.37
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.
6EXI_D_ADND503_0
(ADENOSYLHOMOCYSTEINA
SE)		 4kw5 OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		5 / 12 GLN A 100
GLY A  55
GLY A  57
THR A 122
ASN A  97
 None
FAD  A 501 (-3.1A)
FAD  A 501 (-3.2A)
FAD  A 501 (-2.9A)
None
 1.10A 6exiC-4kw5A:
undetectable
6exiD-4kw5A:
undetectable		 6exiC-4kw5A:
9.37
6exiD-4kw5A:
9.37