SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2z1k'

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.
1CQP_A_803A311_1
(ANTIGEN CD11A (P180))		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 10 LEU A 102
VAL A  52
ILE A  67
LEU A 115
VAL A  72
 None
 1.13A 1cqpA-2z1kA:
undetectable
1cqpB-2z1kA:
undetectable		 1cqpA-2z1kA:
14.57
1cqpB-2z1kA:
14.57
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.
1CQP_B_803B311_1
(ANTIGEN CD11A (P180))		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		4 / 7 VAL A  72
LEU A 102
VAL A  52
LEU A 115
 None
 0.84A 1cqpA-2z1kA:
undetectable
1cqpB-2z1kA:
undetectable		 1cqpA-2z1kA:
14.57
1cqpB-2z1kA:
14.57
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		8 / 12 HIS A  79
TYR A  81
LEU A 170
ASP A 202
HIS A 314
ASP A 315
ASP A 359
ARG A 363
 GLC  A 602 (-3.4A)
GLC  A 603 ( 4.0A)
GLC  A 602 (-4.9A)
GLC  A 603 (-2.6A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
GLC  A 602 ( 3.3A)
GLC  A 602 (-3.0A)
 0.74A 1dedA-2z1kA:
37.8		 1dedA-2z1kA:
22.67
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		8 / 12 HIS A  79
TYR A  81
LEU A 170
GLU A 232
HIS A 314
ASP A 315
ASP A 359
ARG A 363
 GLC  A 602 (-3.4A)
GLC  A 603 ( 4.0A)
GLC  A 602 (-4.9A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
GLC  A 602 ( 3.3A)
GLC  A 602 (-3.0A)
 1.01A 1dedA-2z1kA:
37.8		 1dedA-2z1kA:
22.67
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		9 / 12 HIS A  79
TYR A  81
LEU A 170
ARG A 200
ASP A 202
GLU A 232
HIS A 314
ASP A 315
ARG A 363
 GLC  A 602 (-3.4A)
GLC  A 603 ( 4.0A)
GLC  A 602 (-4.9A)
GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
GLC  A 602 (-3.0A)
 0.74A 1dedB-2z1kA:
40.7		 1dedB-2z1kA:
22.67
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.
1DVT_A_FLPA125_1
(TRANSTHYRETIN)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		4 / 8 ALA A 422
LEU A 409
LEU A 446
LEU A 471
 None
 0.86A 1dvtA-2z1kA:
undetectable
1dvtB-2z1kA:
undetectable		 1dvtA-2z1kA:
14.70
1dvtB-2z1kA:
14.70
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.
1GRM_A_DVAA6_0
(GRAMICIDIN A)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		3 / 3 ALA A  74
VAL A  72
TRP A 191
 None
 0.64A 1grmA-2z1kA:
undetectable		 1grmA-2z1kA:
4.88
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.
1GRM_B_DVAB6_0
(GRAMICIDIN A)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		3 / 3 ALA A  74
VAL A  72
TRP A 191
 None
 0.63A 1grmB-2z1kA:
undetectable		 1grmB-2z1kA:
4.88
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.
1JO4_A_DVAA6_0
(GRAMICIDIN C)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		3 / 3 ALA A  74
VAL A  72
TRP A 191
 None
 0.76A 1jo4A-2z1kA:
undetectable		 1jo4A-2z1kA:
4.88
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.
1JO4_B_DVAB6_0
(GRAMICIDIN C)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		3 / 3 ALA A  74
VAL A  72
TRP A 191
 None
 0.76A 1jo4B-2z1kA:
undetectable		 1jo4B-2z1kA:
4.88
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.
1L7Q_A_BEZA600_0
(COCAINE ESTERASE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 10 ALA A 410
TRP A 472
PHE A 431
LEU A 433
PHE A 437
 None
 1.40A 1l7qA-2z1kA:
0.0		 1l7qA-2z1kA:
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		7 / 12 TYR A  81
HIS A 121
ARG A 200
ASP A 202
GLU A 232
HIS A 314
ASP A 315
 GLC  A 603 ( 4.0A)
GLC  A 603 (-4.2A)
GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 0.33A 1mxdA-2z1kA:
28.7		 1mxdA-2z1kA:
24.14
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.
1RS6_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		4 / 8 TRP A 164
GLU A 206
ARG A 200
TRP A 234
 GLC  A 502 ( 3.8A)
GLC  A 503 ( 3.3A)
GLC  A 603 (-3.4A)
GLC  A 501 (-3.4A)
 1.40A 1rs6A-2z1kA:
undetectable
1rs6B-2z1kA:
undetectable		 1rs6A-2z1kA:
21.09
1rs6B-2z1kA:
21.09
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.
2AKE_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 12 TYR A  10
GLY A 349
GLY A 353
ILE A  12
PHE A  17
 None
 1.40A 2akeA-2z1kA:
undetectable		 2akeA-2z1kA:
21.34
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.
2DR2_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 11 TYR A  10
GLY A 349
GLY A 353
ILE A  12
PHE A  17
 None
 1.39A 2dr2A-2z1kA:
undetectable		 2dr2A-2z1kA:
21.34
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.
2G6H_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		4 / 8 ARG A 200
TRP A 234
TRP A 164
GLU A 206
 GLC  A 603 (-3.4A)
GLC  A 501 (-3.4A)
GLC  A 502 ( 3.8A)
GLC  A 503 ( 3.3A)
 1.32A 2g6hA-2z1kA:
undetectable
2g6hB-2z1kA:
undetectable		 2g6hA-2z1kA:
21.49
2g6hB-2z1kA:
21.49
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.
2NSI_A_H4BA600_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		4 / 7 ARG A 200
ILE A 233
TRP A 234
GLU A 206
 GLC  A 603 (-3.4A)
None
GLC  A 501 (-3.4A)
GLC  A 503 ( 3.3A)
 1.13A 2nsiA-2z1kA:
undetectable
2nsiB-2z1kA:
undetectable		 2nsiA-2z1kA:
20.83
2nsiB-2z1kA:
20.83
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.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		4 / 7 TYR A 252
ASP A 202
TYR A  81
HIS A 314
 None
GLC  A 603 (-2.6A)
GLC  A 603 ( 4.0A)
GLC  A 603 (-4.0A)
 1.41A 2pncA-2z1kA:
undetectable		 2pncA-2z1kA:
23.27
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.
2XRZ_A_ACTA1467_0
(DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		4 / 5 ARG A 378
ASP A  61
GLU A 379
LYS A 382
 None
 1.21A 2xrzA-2z1kA:
undetectable
2xrzB-2z1kA:
undetectable		 2xrzA-2z1kA:
21.69
2xrzB-2z1kA:
21.69
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		6 / 12 ARG A 200
ASP A 202
ASN A 205
GLU A 232
HIS A 314
ASP A 315
 GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 502 (-3.4A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 1.32A 3aicA-2z1kA:
6.3		 3aicA-2z1kA:
19.48
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		6 / 12 ARG A 200
ASP A 202
ASN A 205
GLU A 232
HIS A 314
ASP A 315
 GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 502 (-3.4A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 1.38A 3aicB-2z1kA:
8.8		 3aicB-2z1kA:
19.48
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		6 / 12 ARG A 200
ASP A 202
GLU A 232
HIS A 314
ASP A 315
TYR A  81
 GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
GLC  A 603 ( 4.0A)
 0.67A 3aicC-2z1kA:
5.1		 3aicC-2z1kA:
19.48
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		6 / 12 ARG A 200
ASP A 202
ASN A 205
GLU A 232
HIS A 314
ASP A 315
 GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 502 (-3.4A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 1.36A 3aicD-2z1kA:
6.5		 3aicD-2z1kA:
19.48
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		6 / 12 ARG A 200
ASP A 202
ASN A 205
GLU A 232
HIS A 314
ASP A 315
 GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 502 (-3.4A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 1.38A 3aicE-2z1kA:
8.8		 3aicE-2z1kA:
19.48
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		6 / 12 ARG A 200
ASP A 202
ASN A 205
GLU A 232
HIS A 314
ASP A 315
 GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 502 (-3.4A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 1.38A 3aicF-2z1kA:
8.8		 3aicF-2z1kA:
19.48
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		6 / 12 ARG A 200
ASP A 202
ASN A 205
GLU A 232
HIS A 314
ASP A 315
 GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 502 (-3.4A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 1.35A 3aicG-2z1kA:
8.9		 3aicG-2z1kA:
19.48
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		6 / 12 ARG A 200
ASP A 202
ASN A 205
GLU A 232
HIS A 314
ASP A 315
 GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 502 (-3.4A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 1.34A 3aicH-2z1kA:
6.5		 3aicH-2z1kA:
19.48
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.
3E68_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		3 / 3 ARG A 200
ILE A 233
TRP A 234
 GLC  A 603 (-3.4A)
None
GLC  A 501 (-3.4A)
 1.13A 3e68A-2z1kA:
undetectable		 3e68A-2z1kA:
20.58
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.
3E6T_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		3 / 3 ARG A 200
ILE A 233
TRP A 234
 GLC  A 603 (-3.4A)
None
GLC  A 501 (-3.4A)
 1.20A 3e6tB-2z1kA:
undetectable		 3e6tB-2z1kA:
20.58
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 12 ALA A 333
LEU A 336
VAL A 420
LEU A 292
ALA A 404
 None
 1.27A 3ozuA-2z1kA:
undetectable		 3ozuA-2z1kA:
21.74
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.
3SUE_D_SUED1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 12 GLN A 284
PHE A 261
GLY A 407
GLY A 260
ALA A 266
 None
 1.17A 3sueD-2z1kA:
undetectable		 3sueD-2z1kA:
17.72
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.
3SUF_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 11 GLN A 284
PHE A 261
GLY A 407
GLY A 260
ALA A 266
 None
 1.16A 3sufC-2z1kA:
undetectable		 3sufC-2z1kA:
17.30
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.
3UFP_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		4 / 7 TRP A 191
PHE A 194
ARG A 100
VAL A  89
 None
 1.50A 3ufpA-2z1kA:
undetectable
3ufpB-2z1kA:
undetectable		 3ufpA-2z1kA:
21.05
3ufpB-2z1kA:
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.
4EJG_A_NCTA501_1
(CYTOCHROME P450 2A13)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		4 / 7 PHE A 338
ALA A 335
THR A 380
LEU A 319
 None
 0.87A 4ejgA-2z1kA:
undetectable		 4ejgA-2z1kA:
22.88
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.
4KYK_B_IMNB300_1
(LACTOYLGLUTATHIONE
LYASE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 12 ALA A   7
LEU A  59
PHE A  17
GLY A 198
LEU A  69
 None
 1.22A 4kykA-2z1kA:
undetectable
4kykB-2z1kA:
undetectable		 4kykA-2z1kA:
16.28
4kykB-2z1kA:
16.28
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.
4UPN_B_H4BB760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		4 / 7 TRP A 191
PHE A 194
ARG A 100
VAL A  89
 None
 1.50A 4upnA-2z1kA:
undetectable
4upnB-2z1kA:
undetectable		 4upnA-2z1kA:
21.05
4upnB-2z1kA:
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.
4V32_A_EF2A151_1
(CEREBLON ISOFORM 4)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		4 / 7 ASN A 309
PRO A 344
PHE A 338
PHE A 411
 None
 1.47A 4v32A-2z1kA:
undetectable		 4v32A-2z1kA:
14.47
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.
4V3U_C_H4BC760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		4 / 7 ARG A 100
VAL A  89
TRP A 191
PHE A 194
 None
 1.48A 4v3uC-2z1kA:
undetectable
4v3uD-2z1kA:
undetectable		 4v3uC-2z1kA:
20.47
4v3uD-2z1kA:
20.47
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_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 12 ALA A 266
GLY A 263
ALA A 330
GLU A 350
LEU A 322
 None
 1.00A 5c0oG-2z1kA:
undetectable		 5c0oG-2z1kA:
21.81
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 12 ARG A 200
ASP A 202
GLU A 232
HIS A 314
ASP A 315
 GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 0.51A 5csyB-2z1kA:
4.7		 5csyB-2z1kA:
22.74
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.
5JMN_B_FUAB1101_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		4 / 5 ILE A  12
LEU A  60
HIS A 107
VAL A 113
 None
 1.16A 5jmnB-2z1kA:
undetectable		 5jmnB-2z1kA:
18.37
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.
5N0R_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 12 ILE A 192
GLY A 198
VAL A 230
PHE A 216
ALA A 223
 None
 1.20A 5n0rA-2z1kA:
undetectable		 5n0rA-2z1kA:
21.91
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.
5N0W_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 12 ILE A 192
GLY A 198
VAL A 230
PHE A 216
ALA A 223
 None
 1.19A 5n0wA-2z1kA:
undetectable		 5n0wA-2z1kA:
22.22
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.
5N0X_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 12 ILE A 192
GLY A 198
VAL A 230
PHE A 216
ALA A 223
 None
 1.22A 5n0xB-2z1kA:
undetectable		 5n0xB-2z1kA:
22.02
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.
5O96_A_SAMA501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 11 LEU A 322
GLU A 281
GLY A 260
LEU A 271
ALA A 272
 None
 1.12A 5o96A-2z1kA:
undetectable
5o96B-2z1kA:
undetectable		 5o96A-2z1kA:
20.27
5o96B-2z1kA:
20.27
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.
5VLM_B_CVIB301_1
(REGULATORY PROTEIN
TETR)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		4 / 8 GLY A 364
TRP A  35
ASP A  15
ASP A 359
 None
None
None
GLC  A 602 ( 3.3A)
 1.05A 5vlmB-2z1kA:
undetectable		 5vlmB-2z1kA:
17.34
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.
5XIP_C_HFGC1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 12 LEU A 337
VAL A 258
THR A 312
GLU A 350
GLY A 357
 None
 1.03A 5xipC-2z1kA:
undetectable		 5xipC-2z1kA:
23.83
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.
5YNI_A_SAMA401_0
(NSP16 PROTEIN)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 12 GLY A  46
PRO A  91
GLY A  94
ASP A  15
ASN A  78
 None
 1.12A 5yniA-2z1kA:
undetectable		 5yniA-2z1kA:
22.70
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.
5YNI_A_SAMA401_0
(NSP16 PROTEIN)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 12 GLY A  47
PRO A  91
GLY A  94
ASP A  15
ASN A  78
 None
 1.04A 5yniA-2z1kA:
undetectable		 5yniA-2z1kA:
22.70
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.
5YNM_A_SAMA401_0
(NSP16 PROTEIN)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 12 GLY A  46
PRO A  91
GLY A  94
ASP A  15
ASN A  78
 None
 1.09A 5ynmA-2z1kA:
undetectable		 5ynmA-2z1kA:
22.70
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.
5YNM_A_SAMA401_0
(NSP16 PROTEIN)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 12 GLY A  47
PRO A  91
GLY A  94
ASP A  15
ASN A  78
 None
 1.01A 5ynmA-2z1kA:
undetectable		 5ynmA-2z1kA:
22.70
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 2z1k (NEO)PULLULANASE
(Thermus
thermophilus) 		5 / 12 TYR A  81
HIS A 121
ASP A 202
HIS A 314
ASP A 315
 GLC  A 603 ( 4.0A)
GLC  A 603 (-4.2A)
GLC  A 603 (-2.6A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 0.49A 6ag0A-2z1kA:
26.1		 6ag0A-2z1kA:
8.86