SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3kal'

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.
1D4Y_A_TPVA501_2
(PROTEIN (HIV-1
PROTEASE))		 3kal HOMOGLUTATHIONE
SYNTHETASE
(Glycine
max) 		5 / 8 LEU A 234
ALA A 320
GLY A 280
VAL A 284
ILE A 289
 None
 1.33A 1d4yB-3kalA:
undetectable		 1d4yB-3kalA:
11.09
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.
1ONI_D_BEZD507_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 3kal HOMOGLUTATHIONE
SYNTHETASE
(Glycine
max) 		4 / 7 PHE A 454
ILE A 151
ILE A 250
GLU A 246
 None
 0.86A 1oniD-3kalA:
undetectable
1oniF-3kalA:
undetectable		 1oniD-3kalA:
14.91
1oniF-3kalA:
14.91
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.
2FJ1_A_CTCA222_0
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 3kal HOMOGLUTATHIONE
SYNTHETASE
(Glycine
max) 		5 / 12 HIS A 135
SER A 327
VAL A 107
ILE A 336
SER A 117
 None
 1.44A 2fj1A-3kalA:
undetectable		 2fj1A-3kalA:
18.50
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.
2PIW_A_T3A933_1
(ANDROGEN RECEPTOR)		 3kal HOMOGLUTATHIONE
SYNTHETASE
(Glycine
max) 		5 / 10 ILE A 180
GLY A 452
GLU A 169
ASN A 171
ARG A 295
 None
None
MG  A 502 (-1.9A)
MG  A 502 (-2.9A)
HGS  A 501 (-3.7A)
 1.37A 2piwA-3kalA:
undetectable		 2piwA-3kalA:
18.70
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.
2QAK_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 3kal HOMOGLUTATHIONE
SYNTHETASE
(Glycine
max) 		3 / 3 ARG A 438
THR A 476
VAL A 492
 None
 0.98A 2qakA-3kalA:
undetectable		 2qakA-3kalA:
12.32
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.
2ZZA_A_FOLA164_0
(DIHYDROFOLATE
REDUCTASE)		 3kal HOMOGLUTATHIONE
SYNTHETASE
(Glycine
max) 		5 / 12 ILE A 233
ALA A 231
LYS A 221
ILE A 147
LEU A 458
 None
 1.28A 2zzaA-3kalA:
undetectable		 2zzaA-3kalA:
16.10
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.
2ZZA_B_FOLB164_0
(DIHYDROFOLATE
REDUCTASE)		 3kal HOMOGLUTATHIONE
SYNTHETASE
(Glycine
max) 		5 / 11 ILE A 233
ALA A 231
LYS A 221
ILE A 147
LEU A 458
 None
 1.26A 2zzaB-3kalA:
undetectable		 2zzaB-3kalA:
16.10
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.
3A27_A_SAMA250_1
(UNCHARACTERIZED
PROTEIN MJ1557)		 3kal HOMOGLUTATHIONE
SYNTHETASE
(Glycine
max) 		3 / 3 MET A 473
GLU A 169
ASN A 396
 None
MG  A 502 (-1.9A)
ADP  A 500 ( 4.8A)
 0.93A 3a27A-3kalA:
undetectable		 3a27A-3kalA:
20.44
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.
3AQI_A_CHDA1_0
(FERROCHELATASE)		 3kal HOMOGLUTATHIONE
SYNTHETASE
(Glycine
max) 		5 / 11 MET A 138
ILE A 276
SER A 327
PRO A 324
VAL A 292
 None
 1.33A 3aqiA-3kalA:
undetectable		 3aqiA-3kalA:
22.40
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.
3FPJ_A_SAMA301_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 3kal HOMOGLUTATHIONE
SYNTHETASE
(Glycine
max) 		4 / 6 TYR A 328
GLY A 455
THR A 172
GLU A 469
 None
 1.07A 3fpjA-3kalA:
undetectable		 3fpjA-3kalA:
19.70
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.
3K37_B_BCZB468_1
(NEURAMINIDASE)		 3kal HOMOGLUTATHIONE
SYNTHETASE
(Glycine
max) 		3 / 3 ARG A 153
GLU A 246
TYR A 293
 HGS  A 501 ( 2.8A)
None
None
 0.91A 3k37B-3kalA:
undetectable		 3k37B-3kalA:
18.77
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.
3OGW_A_IMNA597_1
(LACTOPEROXIDASE)		 3kal HOMOGLUTATHIONE
SYNTHETASE
(Glycine
max) 		5 / 9 GLN A 338
PHE A 363
GLU A 347
GLU A 339
PHE A 113
 None
 1.20A 3ogwA-3kalA:
0.0		 3ogwA-3kalA:
23.99
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.
3PP7_B_SVRB499_1
(PYRUVATE KINASE)		 3kal HOMOGLUTATHIONE
SYNTHETASE
(Glycine
max) 		5 / 10 THR A 175
PRO A 324
ARG A 153
ASN A 171
GLY A 332
 HGS  A 501 (-4.7A)
None
HGS  A 501 ( 2.8A)
MG  A 502 (-2.9A)
MG  A 504 (-3.8A)
 1.43A 3pp7B-3kalA:
undetectable		 3pp7B-3kalA:
21.28
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.
3QL6_A_NIMA614_1
(LACTOPEROXIDASE)		 3kal HOMOGLUTATHIONE
SYNTHETASE
(Glycine
max) 		4 / 7 GLN A 338
GLU A 347
GLU A 339
PHE A 113
 None
 1.27A 3ql6A-3kalA:
undetectable		 3ql6A-3kalA:
23.99
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.
3THR_A_C2FA1100_1
(GLYCINE
N-METHYLTRANSFERASE)		 3kal HOMOGLUTATHIONE
SYNTHETASE
(Glycine
max) 		3 / 3 LEU A 187
HIS A 188
MET A 184
 None
 0.75A 3thrD-3kalA:
2.6		 3thrD-3kalA:
20.97
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.
3W67_A_VIVA301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 3kal HOMOGLUTATHIONE
SYNTHETASE
(Glycine
max) 		5 / 11 LEU A  47
SER A  50
ILE A  34
ILE A 435
VAL A 437
 None
 1.16A 3w67A-3kalA:
undetectable		 3w67A-3kalA:
20.00
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.
4DC3_A_ADNA401_2
(ADENOSINE KINASE)		 3kal HOMOGLUTATHIONE
SYNTHETASE
(Glycine
max) 		4 / 4 LEU A 201
ILE A  34
GLY A 200
PHE A  29
 None
 1.11A 4dc3A-3kalA:
undetectable		 4dc3A-3kalA:
19.96
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.
4KLR_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3kal HOMOGLUTATHIONE
SYNTHETASE
(Glycine
max) 		3 / 3 LEU A  76
PRO A  77
ARG A 153
 None
None
HGS  A 501 ( 2.8A)
 0.61A 4klrB-3kalA:
undetectable		 4klrB-3kalA:
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.
4MA8_C_Z80C301_1
(MAJOR PRION PROTEIN)		 3kal HOMOGLUTATHIONE
SYNTHETASE
(Glycine
max) 		4 / 5 LEU A 366
GLY A 365
ILE A 168
GLN A 167
 None
None
ADP  A 500 (-4.2A)
None
 1.13A 4ma8C-3kalA:
undetectable		 4ma8C-3kalA:
13.02
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.
5M54_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 3kal HOMOGLUTATHIONE
SYNTHETASE
(Glycine
max) 		5 / 12 ASP A 418
GLU A 370
ARG A 391
ARG A 120
LEU A 118
 None
 1.43A 5m54B-3kalA:
undetectable		 5m54B-3kalA:
21.28