SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3hwk'

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.
1VE9_A_BEZA352_0
(D-AMINO ACID OXIDASE)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 5 TYR A 340
ILE A 346
ARG A 309
GLY A 257
 None
 1.11A 1ve9A-3hwkA:
undetectable		 1ve9A-3hwkA:
19.36
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.
1WRK_B_TFPB203_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 5 PHE A 333
PHE A 279
MET A 321
SER A 323
 None
 1.36A 1wrkB-3hwkA:
undetectable		 1wrkB-3hwkA:
12.80
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.
2DU8_G_BEZG2352_0
(D-AMINO-ACID OXIDASE)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 5 TYR A 340
ILE A 346
ARG A 309
GLY A 257
 None
 1.06A 2du8G-3hwkA:
undetectable		 2du8G-3hwkA:
21.20
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.
2DU8_J_BEZJ3352_0
(D-AMINO-ACID OXIDASE)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 5 TYR A 340
ILE A 346
ARG A 309
GLY A 257
 None
 1.04A 2du8J-3hwkA:
undetectable		 2du8J-3hwkA:
21.20
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.
2F6D_A_ACRA996_1
(GLUCOAMYLASE GLU1)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 7 HIS A 242
ASN A 330
ASP A 288
GLY A 243
 SIN  A 401 (-4.3A)
None
None
None
 1.06A 2f6dA-3hwkA:
undetectable		 2f6dA-3hwkA:
21.56
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.
2N27_A_4DYA205_1
(CALMODULIN)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 11 LEU A 311
MET A 253
MET A 250
LEU A 181
VAL A 193
 None
 1.02A 2n27A-3hwkA:
undetectable		 2n27A-3hwkA:
18.23
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.
2QHF_A_ACTA503_0
(CHORISMATE SYNTHASE)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 5 THR A 293
ARG A 296
ALA A 297
ARG A 300
 None
 1.12A 2qhfA-3hwkA:
undetectable		 2qhfA-3hwkA:
23.59
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.
2WEK_A_DIFA1373_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 8 SER A 200
VAL A 301
TYR A 204
PHE A 344
 None
 0.95A 2wekA-3hwkA:
undetectable		 2wekA-3hwkA:
22.83
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.
2WEK_B_DIFB1373_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 8 SER A 200
VAL A 301
TYR A 204
PHE A 344
 None
 0.94A 2wekB-3hwkA:
undetectable		 2wekB-3hwkA:
22.83
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		3 / 3 ARG A  55
GLY A  56
SER A 289
 None
 0.58A 2xctB-3hwkA:
undetectable		 2xctB-3hwkA:
21.05
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.
3DOU_A_SAMA1_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		3 / 3 ASP A 158
ASP A 118
ASP A 345
 None
 0.78A 3douA-3hwkA:
undetectable		 3douA-3hwkA:
18.16
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.
3EL9_A_DR7A100_2
(PROTEASE)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 10 GLY A 232
ALA A 233
ILE A 358
PRO A 351
THR A 350
 None
 1.07A 3el9B-3hwkA:
undetectable		 3el9B-3hwkA:
12.50
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.
3IX9_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 ILE A 168
ALA A 156
LEU A 181
GLN A 178
ARG A 305
 None
 1.18A 3ix9B-3hwkA:
undetectable		 3ix9B-3hwkA:
18.20
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 8 TYR A  54
GLU A 206
TYR A 204
SER A 289
 None
 1.05A 3jz0B-3hwkA:
undetectable		 3jz0B-3hwkA:
21.55
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 PHE A 344
TYR A 176
PHE A  89
THR A 362
ILE A 358
 None
 1.36A 3ld6B-3hwkA:
undetectable		 3ld6B-3hwkA:
20.73
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.
3N23_C_OBNC1_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 11 PRO A 132
ASP A 131
LEU A 127
VAL A 150
ALA A 149
 None
 0.87A 3n23C-3hwkA:
undetectable		 3n23C-3hwkA:
17.74
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.
4L9I_A_8PRA601_1
(RHODOPSIN KINASE)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 7 VAL A  59
LEU A  75
MET A 294
ASP A 288
LEU A 331
 None
 1.50A 4l9iA-3hwkA:
undetectable		 4l9iA-3hwkA:
19.57
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 9 HIS A 281
GLY A 208
HIS A 207
ASN A 210
VAL A 283
 SIN  A 401 ( 4.1A)
SIN  A 402 (-3.5A)
SIN  A 402 ( 3.6A)
SIN  A 401 (-3.3A)
None
 1.16A 4qd3A-3hwkA:
undetectable		 4qd3A-3hwkA:
20.49
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.
5G5G_B_ACTB1321_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		3 / 3 THR A  82
ASP A  83
ALA A  84
 None
 0.00A 5g5gB-3hwkA:
undetectable		 5g5gB-3hwkA:
22.33
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.
5MUR_E_PFLE406_1
(PROTON-GATED ION
CHANNEL)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 10 PRO A 170
MET A 103
THR A 153
ILE A 157
ILE A 154
 None
 1.07A 5murE-3hwkA:
undetectable		 5murE-3hwkA:
12.72
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.
5ZJI_B_PQNB842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 10 TRP A 361
ILE A 234
ILE A  42
ALA A 363
ALA A 144
 None
 1.33A 5zjiB-3hwkA:
undetectable		 5zjiB-3hwkA:
10.78
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.
6HXI_B_ACTB706_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 5 HIS A 207
ARG A 290
PHE A 353
ARG A 357
 SIN  A 402 ( 3.6A)
SIN  A 401 (-3.2A)
None
SIN  A 401 (-2.9A)
 0.63A 6hxiB-3hwkA:
15.7		 6hxiB-3hwkA:
22.50
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.
6HXI_D_ACTD703_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 5 HIS A 207
ARG A 290
ASP A 332
PHE A 353
ARG A 357
 SIN  A 402 ( 3.6A)
SIN  A 401 (-3.2A)
None
None
SIN  A 401 (-2.9A)
 0.59A 6hxiD-3hwkA:
17.3		 6hxiD-3hwkA:
22.50