SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2yw2'

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.
1A4G_B_ZMRB466_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.10A 1a4gB-2yw2A:
undetectable		 1a4gB-2yw2A:
22.87
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.
1D0V_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		4 / 8 GLY A 343
GLY A 377
SER A 333
GLY A 364
 None
 0.72A 1d0vA-2yw2A:
undetectable		 1d0vA-2yw2A:
23.85
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.
1FFY_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 GLY A 364
ASN A  34
GLY A  10
ASP A 290
VAL A 379
 None
 1.23A 1ffyA-2yw2A:
undetectable		 1ffyA-2yw2A:
19.78
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.
1JHA_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		4 / 8 GLY A 343
GLY A 377
SER A 333
GLY A 364
 None
 0.71A 1jhaA-2yw2A:
undetectable		 1jhaA-2yw2A:
23.85
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.
1JHQ_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		4 / 8 GLY A 343
GLY A 377
SER A 333
GLY A 364
 None
 0.69A 1jhqA-2yw2A:
undetectable		 1jhqA-2yw2A:
23.85
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.
1JHV_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		4 / 8 GLY A 343
GLY A 377
SER A 333
GLY A 364
 None
 0.67A 1jhvA-2yw2A:
undetectable		 1jhvA-2yw2A:
23.85
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.
1NNC_A_ZMRA479_1
(NEURAMINIDASE N9)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.14A 1nncA-2yw2A:
undetectable		 1nncA-2yw2A:
23.06
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.
1PTH_A_SALA710_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		4 / 7 VAL A  79
LEU A 268
ALA A  97
LEU A  74
 None
 0.71A 1pthA-2yw2A:
undetectable		 1pthA-2yw2A:
20.20
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.
1PTH_A_SALA710_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		4 / 7 VAL A  79
VAL A 286
LEU A 268
ALA A  96
 None
 0.89A 1pthA-2yw2A:
undetectable		 1pthA-2yw2A:
20.20
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.
1PTH_B_SALB711_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		4 / 7 VAL A  79
LEU A 268
ALA A  97
LEU A  74
 None
 0.72A 1pthB-2yw2A:
undetectable		 1pthB-2yw2A:
20.20
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.
1PTH_B_SALB711_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		4 / 7 VAL A  79
VAL A 286
LEU A 268
ALA A  96
 None
 0.88A 1pthB-2yw2A:
undetectable		 1pthB-2yw2A:
20.20
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.
2CML_A_ZMRA1477_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.15A 2cmlA-2yw2A:
undetectable		 2cmlA-2yw2A:
21.99
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.
2CML_B_ZMRB2477_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.14A 2cmlB-2yw2A:
undetectable		 2cmlB-2yw2A:
21.99
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.
2CML_C_ZMRC3477_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.14A 2cmlC-2yw2A:
undetectable		 2cmlC-2yw2A:
21.99
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.
2CML_D_ZMRD4477_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.18A 2cmlD-2yw2A:
undetectable		 2cmlD-2yw2A:
21.99
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.
2I30_A_SALA1100_1
(SERUM ALBUMIN)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		4 / 6 PHE A 419
TYR A 397
ARG A 411
GLY A 415
 None
 1.37A 2i30A-2yw2A:
undetectable		 2i30A-2yw2A:
22.86
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.
2QD5_A_CHDA701_0
(FERROCHELATASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		4 / 8 LEU A 147
PRO A  92
VAL A  68
GLY A  69
 None
 1.03A 2qd5A-2yw2A:
2.6		 2qd5A-2yw2A:
22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		7 / 8 ASP A 212
TYR A 269
ASN A 285
ARG A 287
GLY A 289
PRO A 291
GLU A 292
 None
None
None
PO4  A 645 (-3.3A)
None
None
None
 0.27A 2ys6A-2yw2A:
54.3		 2ys6A-2yw2A:
51.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 8 LYS A 214
ASN A 285
ARG A 287
GLY A 289
PRO A 291
 ATP  A 646 (-3.2A)
None
PO4  A 645 (-3.3A)
None
None
 1.14A 2ys6A-2yw2A:
54.3		 2ys6A-2yw2A:
51.46
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.
2Z0Y_B_SAMB400_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0657)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 9 ALA A  14
GLY A  10
GLY A   9
LEU A 288
ALA A 293
 None
 0.91A 2z0yB-2yw2A:
undetectable		 2z0yB-2yw2A:
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.
3A27_A_SAMA250_0
(UNCHARACTERIZED
PROTEIN MJ1557)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 SER A 232
PHE A 267
GLY A 289
ASN A 285
PHE A  90
 None
 1.45A 3a27A-2yw2A:
4.1		 3a27A-2yw2A:
23.97
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.
3B7E_A_ZMRA1001_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.18A 3b7eA-2yw2A:
undetectable		 3b7eA-2yw2A:
21.35
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.
3B7E_B_ZMRB1002_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.18A 3b7eB-2yw2A:
undetectable		 3b7eB-2yw2A:
21.35
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.
3CKZ_A_ZMRA469_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.26A 3ckzA-2yw2A:
undetectable		 3ckzA-2yw2A:
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.
3PP1_A_ACTA590_0
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		4 / 5 LEU A 327
GLN A 211
HIS A 213
GLY A 415
 None
 1.16A 3pp1A-2yw2A:
undetectable		 3pp1A-2yw2A:
22.82
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.
3RV5_D_DXCD92_0
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		4 / 5 VAL A 253
GLU A  71
LYS A 103
PHE A 109
 None
PO4  A 645 (-2.9A)
ATP  A 646 (-2.7A)
None
 1.46A 3rv5C-2yw2A:
undetectable
3rv5D-2yw2A:
undetectable		 3rv5C-2yw2A:
13.48
3rv5D-2yw2A:
13.48
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.
3SAN_A_ZMRA901_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.15A 3sanA-2yw2A:
undetectable		 3sanA-2yw2A:
22.55
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.
3SAN_B_ZMRB901_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.14A 3sanB-2yw2A:
undetectable		 3sanB-2yw2A:
22.55
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.
3TI5_A_ZMRA1002_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.14A 3ti5A-2yw2A:
undetectable		 3ti5A-2yw2A:
21.83
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.
3TI5_B_ZMRB1002_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.16A 3ti5B-2yw2A:
undetectable		 3ti5B-2yw2A:
21.83
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.
3TIC_A_ZMRA1002_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.14A 3ticA-2yw2A:
undetectable		 3ticA-2yw2A:
21.53
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.
3TIC_B_ZMRB1002_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.14A 3ticB-2yw2A:
undetectable		 3ticB-2yw2A:
21.53
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.
3TIC_C_ZMRC1002_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.14A 3ticC-2yw2A:
undetectable		 3ticC-2yw2A:
21.53
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.
3TIC_D_ZMRD1002_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.13A 3ticD-2yw2A:
undetectable		 3ticD-2yw2A:
21.53
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.
3V8V_A_SAMA801_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 PRO A  73
ILE A  78
GLY A  69
VAL A  19
LEU A  28
 None
 1.13A 3v8vA-2yw2A:
4.5		 3v8vA-2yw2A:
21.76
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.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ASP A 290
ALA A 363
ASN A  34
ILE A 414
ARG A 378
 None
None
None
None
PO4  A 645 (-3.6A)
 1.28A 3wemA-2yw2A:
undetectable		 3wemA-2yw2A:
18.72
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.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ASP A 290
ALA A 363
ASN A  34
ILE A 414
ARG A 378
 None
None
None
None
PO4  A 645 (-3.6A)
 1.28A 3wenA-2yw2A:
undetectable		 3wenA-2yw2A:
18.72
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.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ASP A 290
ALA A 363
ASN A  34
ILE A 414
ARG A 378
 None
None
None
None
PO4  A 645 (-3.6A)
 1.27A 3weoA-2yw2A:
undetectable		 3weoA-2yw2A:
18.72
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.
4B7N_A_ZMRA601_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.18A 4b7nA-2yw2A:
undetectable		 4b7nA-2yw2A:
20.81
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.
4B7Q_A_ZMRA601_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.11A 4b7qA-2yw2A:
undetectable		 4b7qA-2yw2A:
20.81
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.
4B7Q_B_ZMRB601_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.22A 4b7qB-2yw2A:
undetectable		 4b7qB-2yw2A:
20.81
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.
4B7Q_C_ZMRC601_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.20A 4b7qC-2yw2A:
undetectable		 4b7qC-2yw2A:
20.81
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.
4B7Q_D_ZMRD601_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.18A 4b7qD-2yw2A:
undetectable		 4b7qD-2yw2A:
20.81
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.
4BLV_B_SAMB1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 HIS A 213
GLY A 271
SER A 194
GLY A 415
ASP A 212
 None
 1.13A 4blvB-2yw2A:
1.9		 4blvB-2yw2A:
19.95
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.
4CPZ_C_ZMRC1470_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.15A 4cpzC-2yw2A:
undetectable		 4cpzC-2yw2A:
23.21
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.
4CPZ_D_ZMRD1471_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.10A 4cpzD-2yw2A:
undetectable		 4cpzD-2yw2A:
23.21
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.
4LMN_A_EUIA503_2
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		3 / 3 ASP A 125
VAL A 183
ASN A 171
 None
 0.79A 4lmnA-2yw2A:
2.5		 4lmnA-2yw2A:
21.51
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.
4MWR_A_ZMRA513_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.16A 4mwrA-2yw2A:
undetectable		 4mwrA-2yw2A:
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.
4P65_I_IPHI101_0
(INSULIN)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 VAL A   5
LEU A 288
ILE A  67
LEU A 297
ALA A 293
 None
 1.00A 4p65B-2yw2A:
undetectable
4p65D-2yw2A:
undetectable
4p65I-2yw2A:
undetectable
4p65J-2yw2A:
undetectable		 4p65B-2yw2A:
5.26
4p65D-2yw2A:
5.26
4p65I-2yw2A:
4.58
4p65J-2yw2A:
5.26
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.
4P65_K_IPHK101_0
(INSULIN)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 LEU A 288
VAL A   5
ILE A  67
LEU A 297
ALA A 293
 None
 1.04A 4p65F-2yw2A:
undetectable
4p65H-2yw2A:
undetectable
4p65K-2yw2A:
undetectable
4p65L-2yw2A:
undetectable		 4p65F-2yw2A:
5.26
4p65H-2yw2A:
5.26
4p65K-2yw2A:
4.58
4p65L-2yw2A:
5.26
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.
4WA5_A_ZMRA501_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.18A 4wa5A-2yw2A:
undetectable		 4wa5A-2yw2A:
22.99
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.
4WA5_A_ZMRA501_1
(NEURAMINIDASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 12 ARG A 378
GLU A 100
GLU A  71
ARG A 287
TYR A 269
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.16A 4wa5A-2yw2A:
undetectable		 4wa5A-2yw2A:
22.99
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.
4XQE_A_AG2A506_1
(HOMOSPERMIDINE
SYNTHASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		4 / 6 ARG A 378
ASP A 290
VAL A 329
ASP A 328
 PO4  A 645 (-3.6A)
None
None
None
 1.24A 4xqeA-2yw2A:
6.9		 4xqeA-2yw2A:
23.26
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.
4XQE_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		4 / 6 ARG A 378
ASP A 290
VAL A 329
ASP A 328
 PO4  A 645 (-3.6A)
None
None
None
 1.24A 4xqeB-2yw2A:
7.0		 4xqeB-2yw2A:
23.26
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.
5E4D_A_BEZA201_0
(HYDROXYNITRILE LYASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		5 / 9 VAL A 382
VAL A 360
ILE A 346
PHE A 405
LEU A 331
 None
 1.23A 5e4dA-2yw2A:
undetectable		 5e4dA-2yw2A:
17.81
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.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		4 / 4 THR A 225
LEU A 216
HIS A 409
GLY A 222
 None
 1.45A 5gwyA-2yw2A:
undetectable		 5gwyA-2yw2A:
20.45
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.
5X5Q_E_D16E402_1
(THYMIDYLATE SYNTHASE)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		4 / 6 PHE A 405
ASP A 350
LEU A 349
GLY A 348
 None
 0.96A 5x5qE-2yw2A:
undetectable		 5x5qE-2yw2A:
19.31
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.
6D8P_A_ACTA816_0
(UNCHARACTERIZED
PROTEIN)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		3 / 3 ARG A 299
ARG A 324
ASP A 322
 None
 0.97A 6d8pA-2yw2A:
2.3		 6d8pA-2yw2A:
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.
6NM4_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9)		 2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Aquifex
aeolicus) 		4 / 7 ALA A 149
GLY A 150
GLY A 377
TYR A 336
 None
ATP  A 646 (-3.1A)
None
None
 0.56A 6nm4A-2yw2A:
undetectable		 6nm4A-2yw2A:
20.30