SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'BU1'


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.
1HPV_B_478B200_2
(HIV-1 PROTEASE)		 5eg6 RECOMBINING BINDING
PROTEIN SUPPRESSOR
OF HAIRLESS
(Mus
musculus) 		5 / 9 VAL C  99
GLY C 130
ILE C 131
PRO C  97
ILE C  76
 None
None
BU1  C 521 (-4.7A)
None
None
 1.12A 1hpvB-5eg6C:
undetectable		 1hpvB-5eg6C:
12.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1STF_E_CCSE25_0
(PAPAIN
STEFIN B (CYSTATIN
B))		 4kp9 PAPAIN
(Carica
papaya) 		7 / 10 GLN A  19
GLY A  23
SER A  24
PHE A  28
SER A  29
ALA A 160
GLY A  65
 BU1  A 301 (-3.1A)
BU1  A 301 (-3.2A)
None
None
None
None
YXZ  A 305 (-3.4A)
 1.16A 1stfE-4kp9A:
40.7
1stfI-4kp9A:
0.6		 1stfE-4kp9A:
99.53
1stfI-4kp9A:
18.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1STF_E_CCSE25_0
(PAPAIN
STEFIN B (CYSTATIN
B))		 4kp9 PAPAIN
(Carica
papaya) 		8 / 10 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 159
ALA A 160
 BU1  A 301 (-3.1A)
BU1  A 301 (-3.2A)
None
TXY  A  67 ( 4.3A)
None
None
BU1  A 301 (-4.1A)
None
 0.23A 1stfE-4kp9A:
40.7
1stfI-4kp9A:
0.6		 1stfE-4kp9A:
99.53
1stfI-4kp9A:
18.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SV9_A_DIFA701_1
(PHOSPHOLIPASE A2)		 1m8r PHOSPHOLIPASE A2
(Gloydius
halys) 		4 / 8 LEU A   2
GLY A  30
HIS A  48
PHE A 106
 None
BU1  A1002 (-4.3A)
None
None
 0.79A 1sv9A-1m8rA:
20.9		 1sv9A-1m8rA:
54.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		 1m8r PHOSPHOLIPASE A2
(Gloydius
halys) 		4 / 7 GLY A  30
HIS A  48
ASP A  49
TYR A  52
 BU1  A1002 (-4.3A)
None
CD  A1001 (-2.4A)
None
 0.44A 1th6A-1m8rA:
21.0		 1th6A-1m8rA:
54.03
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.
1WYG_A_SALA4005_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 3ot2 UNCHARACTERIZED
PROTEIN
(Trichormus
variabilis) 		5 / 10 GLU A  67
ARG A  69
THR A  77
ALA A  23
GLU A  19
 None
BU1  A 189 ( 4.2A)
None
EDO  A 197 (-3.5A)
EDO  A 197 ( 3.2A)
 1.44A 1wygA-3ot2A:
undetectable		 1wygA-3ot2A:
9.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1Y4L_B_SVRB301_1
(PHOSPHOLIPASE A2
HOMOLOG 2)		 1m8r PHOSPHOLIPASE A2
(Gloydius
halys) 		5 / 12 LEU A   2
GLY A  30
GLY A  32
TYR A  52
PRO A  68
 None
BU1  A1002 (-4.3A)
CD  A1001 (-3.9A)
None
None
 1.25A 1y4lA-1m8rA:
19.8		 1y4lA-1m8rA:
50.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 1m8r PHOSPHOLIPASE A2
(Gloydius
halys) 		4 / 7 GLY A  30
HIS A  48
ASP A  49
TYR A  52
 BU1  A1002 (-4.3A)
None
CD  A1001 (-2.4A)
None
 0.45A 2armA-1m8rA:
21.0		 2armA-1m8rA:
54.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2B17_A_DIFA701_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 1m8r PHOSPHOLIPASE A2
(Gloydius
halys) 		5 / 10 LEU A   2
GLY A  30
HIS A  48
ASP A  49
PHE A 106
 None
BU1  A1002 (-4.3A)
None
CD  A1001 (-2.4A)
None
 0.75A 2b17A-1m8rA:
20.9		 2b17A-1m8rA:
54.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 1m8r PHOSPHOLIPASE A2
(Gloydius
halys) 		4 / 5 LEU A   2
SER A  23
GLY A  30
HIS A  48
 None
BU1  A1003 (-3.0A)
BU1  A1002 (-4.3A)
None
 0.68A 2otfA-1m8rA:
21.0		 2otfA-1m8rA:
54.03
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.
2Q5K_A_AB1A201_1
(PROTEASE)		 5eg6 RECOMBINING BINDING
PROTEIN SUPPRESSOR
OF HAIRLESS
(Mus
musculus) 		5 / 9 VAL C  99
GLY C 130
ILE C 131
PRO C  97
ILE C  76
 None
None
BU1  C 521 (-4.7A)
None
None
 1.08A 2q5kA-5eg6C:
undetectable		 2q5kA-5eg6C:
12.98
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.
2VDB_A_NPSA1591_1
(SERUM ALBUMIN)		 4s28 PHOSPHOMETHYLPYRIMID
INE SYNTHASE,
CHLOROPLASTIC
(Arabidopsis
thaliana) 		4 / 8 ILE A 368
LEU A 379
PHE A 319
ARG A 305
 None
None
None
BU1  A 706 (-4.2A)
 0.96A 2vdbA-4s28A:
undetectable		 2vdbA-4s28A:
21.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AI8_A_HNQA255_1
(CATHEPSIN B)		 4kp9 PAPAIN
(Carica
papaya) 		4 / 7 GLN A  19
GLY A  23
HIS A 159
TRP A 177
 BU1  A 301 (-3.1A)
BU1  A 301 (-3.2A)
BU1  A 301 (-4.1A)
ACT  A 303 ( 4.8A)
 0.59A 3ai8A-4kp9A:
26.9		 3ai8A-4kp9A:
31.84
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.
3EKT_B_017B200_2
(PROTEASE)		 5eg6 RECOMBINING BINDING
PROTEIN SUPPRESSOR
OF HAIRLESS
(Mus
musculus) 		5 / 9 VAL C  99
GLY C 130
ILE C 131
PRO C  97
ILE C  76
 None
None
BU1  C 521 (-4.7A)
None
None
 1.05A 3ektB-5eg6C:
undetectable		 3ektB-5eg6C:
12.74
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.
3EKV_A_478A200_2
(PROTEASE)		 5eg6 RECOMBINING BINDING
PROTEIN SUPPRESSOR
OF HAIRLESS
(Mus
musculus) 		5 / 9 VAL C  99
GLY C 130
ILE C 131
PRO C  97
ILE C  76
 None
None
BU1  C 521 (-4.7A)
None
None
 1.04A 3ekvB-5eg6C:
undetectable		 3ekvB-5eg6C:
12.98
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.
3EL0_A_1UNA201_2
(PROTEASE)		 5eg6 RECOMBINING BINDING
PROTEIN SUPPRESSOR
OF HAIRLESS
(Mus
musculus) 		5 / 9 VAL C  99
GLY C 130
ILE C 131
PRO C  97
ILE C  76
 None
None
BU1  C 521 (-4.7A)
None
None
 1.05A 3el0B-5eg6C:
undetectable		 3el0B-5eg6C:
12.74
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.
3G88_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4u90 GEPHYRIN
(Rattus
norvegicus) 		5 / 11 GLY A 406
PHE A 388
ASP A 382
ALA A 381
ALA A 423
 None
None
BU1  A 801 ( 4.6A)
None
None
 1.07A 3g88A-4u90A:
undetectable		 3g88A-4u90A:
23.04
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.
3G88_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4u90 GEPHYRIN
(Rattus
norvegicus) 		5 / 11 GLY A 406
PHE A 388
ASP A 382
ALA A 381
ALA A 451
 None
None
BU1  A 801 ( 4.6A)
None
BU1  A 801 ( 3.2A)
 0.88A 3g88A-4u90A:
undetectable		 3g88A-4u90A:
23.04
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.
3G88_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4u90 GEPHYRIN
(Rattus
norvegicus) 		5 / 11 GLY A 406
PHE A 388
ASP A 382
ALA A 381
ALA A 423
 None
None
BU1  A 801 ( 4.6A)
None
None
 1.09A 3g88B-4u90A:
undetectable		 3g88B-4u90A:
23.04
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.
3G88_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4u90 GEPHYRIN
(Rattus
norvegicus) 		5 / 11 GLY A 406
PHE A 388
ASP A 382
ALA A 381
ALA A 451
 None
None
BU1  A 801 ( 4.6A)
None
BU1  A 801 ( 3.2A)
 0.90A 3g88B-4u90A:
undetectable		 3g88B-4u90A:
23.04
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.
3G89_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4u90 GEPHYRIN
(Rattus
norvegicus) 		5 / 12 GLY A 406
PHE A 388
ASP A 382
ALA A 381
ALA A 423
 None
None
BU1  A 801 ( 4.6A)
None
None
 1.02A 3g89A-4u90A:
undetectable		 3g89A-4u90A:
23.04
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.
3G89_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4u90 GEPHYRIN
(Rattus
norvegicus) 		5 / 12 GLY A 406
PHE A 388
ASP A 382
ALA A 381
ALA A 451
 None
None
BU1  A 801 ( 4.6A)
None
BU1  A 801 ( 3.2A)
 0.79A 3g89A-4u90A:
undetectable		 3g89A-4u90A:
23.04
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.
3G89_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4u90 GEPHYRIN
(Rattus
norvegicus) 		5 / 11 GLY A 406
PHE A 388
ASP A 382
ALA A 381
ALA A 423
 None
None
BU1  A 801 ( 4.6A)
None
None
 1.03A 3g89B-4u90A:
undetectable		 3g89B-4u90A:
23.04
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.
3G89_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4u90 GEPHYRIN
(Rattus
norvegicus) 		5 / 11 GLY A 406
PHE A 388
ASP A 382
ALA A 381
ALA A 451
 None
None
BU1  A 801 ( 4.6A)
None
BU1  A 801 ( 3.2A)
 0.81A 3g89B-4u90A:
undetectable		 3g89B-4u90A:
23.04
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.
3G8B_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4u90 GEPHYRIN
(Rattus
norvegicus) 		5 / 12 GLY A 406
PHE A 388
ASP A 382
ALA A 381
ALA A 423
 None
None
BU1  A 801 ( 4.6A)
None
None
 1.05A 3g8bA-4u90A:
undetectable		 3g8bA-4u90A:
23.04
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.
3G8B_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4u90 GEPHYRIN
(Rattus
norvegicus) 		5 / 12 GLY A 406
PHE A 388
ASP A 382
ALA A 381
ALA A 451
 None
None
BU1  A 801 ( 4.6A)
None
BU1  A 801 ( 3.2A)
 0.84A 3g8bA-4u90A:
undetectable		 3g8bA-4u90A:
23.04
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.
3G8B_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4u90 GEPHYRIN
(Rattus
norvegicus) 		5 / 12 GLY A 406
PHE A 388
ASP A 382
ALA A 381
ALA A 423
 None
None
BU1  A 801 ( 4.6A)
None
None
 1.08A 3g8bB-4u90A:
undetectable		 3g8bB-4u90A:
23.04
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.
3G8B_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4u90 GEPHYRIN
(Rattus
norvegicus) 		5 / 12 GLY A 406
PHE A 388
ASP A 382
ALA A 381
ALA A 451
 None
None
BU1  A 801 ( 4.6A)
None
BU1  A 801 ( 3.2A)
 0.88A 3g8bB-4u90A:
undetectable		 3g8bB-4u90A:
23.04
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.
3K8M_A_ACRA720_1
(ALPHA-AMYLASE, SUSG)		 1vio RIBOSOMAL SMALL
SUBUNIT
PSEUDOURIDINE
SYNTHASE A
(Haemophilus
influenzae) 		4 / 7 TYR A  62
GLU A  59
LEU A 222
TRP A 117
 None
BU1  A 242 (-3.6A)
None
None
 1.38A 3k8mA-1vioA:
undetectable		 3k8mA-1vioA:
16.72
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.
3K8M_B_ACRB820_1
(ALPHA-AMYLASE, SUSG)		 1vio RIBOSOMAL SMALL
SUBUNIT
PSEUDOURIDINE
SYNTHASE A
(Haemophilus
influenzae) 		4 / 7 TYR A  62
GLU A  59
LEU A 222
TRP A 117
 None
BU1  A 242 (-3.6A)
None
None
 1.36A 3k8mB-1vioA:
undetectable		 3k8mB-1vioA:
16.72
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.
3KO0_B_TFPB201_1
(PROTEIN S100-A4)		 4egw MAGNESIUM TRANSPORT
PROTEIN CORA
(Methanocaldococc
us
jannaschii) 		4 / 8 GLY A  93
ILE A 208
PHE A 134
PHE A 128
 None
None
None
BU1  A 319 (-3.7A)
 0.90A 3ko0B-4egwA:
undetectable
3ko0J-4egwA:
undetectable		 3ko0B-4egwA:
15.00
3ko0J-4egwA:
15.00
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.
3NUJ_B_478B401_1
(PROTEASE)		 5eg6 RECOMBINING BINDING
PROTEIN SUPPRESSOR
OF HAIRLESS
(Mus
musculus) 		5 / 10 VAL C  99
GLY C 130
ILE C 131
PRO C  97
ILE C  76
 None
None
BU1  C 521 (-4.7A)
None
None
 1.02A 3nujA-5eg6C:
undetectable		 3nujA-5eg6C:
14.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OSH_A_OINA5811_1
(PHOSPHOLIPASE A2
ISOFORM 3)		 1m8r PHOSPHOLIPASE A2
(Gloydius
halys) 		5 / 9 LEU A   2
PHE A   5
ILE A   9
GLY A  30
HIS A  48
 None
BU1  A1002 ( 4.8A)
None
BU1  A1002 (-4.3A)
None
 0.67A 3oshA-1m8rA:
17.2		 3oshA-1m8rA:
38.84
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.
3PWM_B_017B402_1
(PROTEASE)		 5eg6 RECOMBINING BINDING
PROTEIN SUPPRESSOR
OF HAIRLESS
(Mus
musculus) 		5 / 12 VAL C  99
GLY C 130
ILE C 131
PRO C  97
ILE C  76
 None
None
BU1  C 521 (-4.7A)
None
None
 0.96A 3pwmA-5eg6C:
undetectable		 3pwmA-5eg6C:
13.88
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.
3U7S_A_017A201_2
(POL POLYPROTEIN)		 4u90 GEPHYRIN
(Rattus
norvegicus) 		5 / 9 ASP A 422
ALA A 423
ILE A 447
GLY A 383
PRO A 405
 None
None
BU1  A 801 ( 4.3A)
BU1  A 801 ( 3.6A)
None
 1.07A 3u7sB-4u90A:
undetectable		 3u7sB-4u90A:
14.81
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.
3U7S_A_017A202_1
(POL POLYPROTEIN)		 4u90 GEPHYRIN
(Rattus
norvegicus) 		5 / 9 ASP A 422
ALA A 423
ILE A 447
GLY A 383
PRO A 405
 None
None
BU1  A 801 ( 4.3A)
BU1  A 801 ( 3.6A)
None
 1.09A 3u7sA-4u90A:
undetectable		 3u7sA-4u90A:
14.81
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.
4DQC_A_017A101_1
(ASPARTYL PROTEASE)		 5eg6 RECOMBINING BINDING
PROTEIN SUPPRESSOR
OF HAIRLESS
(Mus
musculus) 		5 / 10 VAL C  99
GLY C 130
ILE C 131
PRO C  97
ILE C  76
 None
None
BU1  C 521 (-4.7A)
None
None
 0.99A 4dqcA-5eg6C:
undetectable		 4dqcA-5eg6C:
13.46
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.
4DQH_B_017B101_1
(WILD-TYPE HIV-1
PROTEASE DIMER)		 5eg6 RECOMBINING BINDING
PROTEIN SUPPRESSOR
OF HAIRLESS
(Mus
musculus) 		5 / 11 VAL C  99
GLY C 130
ILE C 131
PRO C  97
ILE C  76
 None
None
BU1  C 521 (-4.7A)
None
None
 0.99A 4dqhA-5eg6C:
undetectable		 4dqhA-5eg6C:
13.70
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.
4HVC_A_HFGA1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE
(Vibrio
cholerae) 		5 / 12 GLU A 243
VAL A 245
PRO A 233
THR A 215
GLY A 214
 None
None
None
EDO  A 311 ( 4.9A)
BU1  A 307 (-4.1A)
 1.21A 4hvcA-4op4A:
2.3		 4hvcA-4op4A:
19.14
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.
4HVC_B_HFGB1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE
(Vibrio
cholerae) 		6 / 12 LEU A 250
GLU A 243
VAL A 245
PRO A 233
THR A 215
GLY A 214
 None
None
None
None
EDO  A 311 ( 4.9A)
BU1  A 307 (-4.1A)
 1.30A 4hvcB-4op4A:
2.5		 4hvcB-4op4A:
19.14
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.
4JSE_A_H4BA804_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2x2u PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
(Homo
sapiens) 		4 / 7 ARG A 189
VAL A 254
PHE A 167
GLU A 164
 None
None
None
BU1  A1293 (-4.5A)
 1.13A 4jseA-2x2uA:
undetectable
4jseB-2x2uA:
undetectable		 4jseA-2x2uA:
21.00
4jseB-2x2uA:
21.00
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.
4JSE_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2x2u PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
(Homo
sapiens) 		4 / 7 PHE A 167
GLU A 164
ARG A 189
VAL A 254
 None
BU1  A1293 (-4.5A)
None
None
 1.10A 4jseA-2x2uA:
undetectable
4jseB-2x2uA:
undetectable		 4jseA-2x2uA:
21.00
4jseB-2x2uA:
21.00
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.
4KOE_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA2)		 4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE
(Vibrio
cholerae) 		4 / 6 SER A 105
GLY A 218
ASP A 217
GLY A 214
 None
BU1  A 307 ( 3.7A)
None
BU1  A 307 (-4.1A)
 0.84A 4koeA-4op4A:
undetectable
4koeB-4op4A:
undetectable
4koeC-4op4A:
3.2		 4koeA-4op4A:
20.48
4koeB-4op4A:
20.48
4koeC-4op4A:
21.48
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.
4KOE_H_TR6H101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA4)		 4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE
(Vibrio
cholerae) 		4 / 7 SER A 105
GLY A 218
ASP A 217
GLY A 214
 None
BU1  A 307 ( 3.7A)
None
BU1  A 307 (-4.1A)
 0.85A 4koeA-4op4A:
undetectable
4koeB-4op4A:
undetectable
4koeD-4op4A:
3.3		 4koeA-4op4A:
20.48
4koeB-4op4A:
20.48
4koeD-4op4A:
21.48
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.
4OLF_A_HFGA802_0
(PROLINE--TRNA LIGASE)		 4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE
(Vibrio
cholerae) 		5 / 12 GLU A 243
VAL A 245
PRO A 233
THR A 215
GLY A 214
 None
None
None
EDO  A 311 ( 4.9A)
BU1  A 307 (-4.1A)
 1.18A 4olfA-4op4A:
2.1		 4olfA-4op4A:
19.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		 4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE
(Vibrio
cholerae) 		6 / 11 HIS A  68
ASP A 101
GLU A 135
GLU A 136
GLU A 164
GLY A 213
 ZN  A 303 ( 3.2A)
ZN  A 303 (-2.5A)
EDO  A 311 ( 2.8A)
ZN  A 302 (-1.7A)
ZN  A 303 ( 2.0A)
BU1  A 307 (-4.0A)
 0.78A 4pqaA-4op4A:
40.9		 4pqaA-4op4A:
40.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		 4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE
(Vibrio
cholerae) 		6 / 11 HIS A  68
ASP A 101
GLU A 135
GLU A 136
GLY A 213
GLY A 214
 ZN  A 303 ( 3.2A)
ZN  A 303 (-2.5A)
EDO  A 311 ( 2.8A)
ZN  A 302 (-1.7A)
BU1  A 307 (-4.0A)
BU1  A 307 (-4.1A)
 1.10A 4pqaA-4op4A:
40.9		 4pqaA-4op4A:
40.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		 4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE
(Vibrio
cholerae) 		7 / 11 HIS A  68
ASP A 101
GLU A 135
GLU A 136
GLY A 214
ASN A 235
ILE A 238
 ZN  A 303 ( 3.2A)
ZN  A 303 (-2.5A)
EDO  A 311 ( 2.8A)
ZN  A 302 (-1.7A)
BU1  A 307 (-4.1A)
None
None
 0.92A 4pqaA-4op4A:
40.9		 4pqaA-4op4A:
40.79
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.
4Q15_A_HFGA803_0
(PROLINE--TRNA LIGASE)		 4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE
(Vibrio
cholerae) 		5 / 12 LEU A 250
GLU A 243
VAL A 245
PRO A 233
GLY A 214
 None
None
None
None
BU1  A 307 (-4.1A)
 1.15A 4q15A-4op4A:
undetectable		 4q15A-4op4A:
19.44
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.
4Q15_B_HFGB803_0
(PROLINE--TRNA LIGASE)		 4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE
(Vibrio
cholerae) 		5 / 12 LEU A 250
GLU A 243
VAL A 245
PRO A 233
GLY A 214
 None
None
None
None
BU1  A 307 (-4.1A)
 1.21A 4q15B-4op4A:
undetectable		 4q15B-4op4A:
19.44
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.
4Q1W_A_017A104_2
(ASPARTYL PROTEASE)		 5eg6 RECOMBINING BINDING
PROTEIN SUPPRESSOR
OF HAIRLESS
(Mus
musculus) 		5 / 10 VAL C  99
GLY C 130
ILE C 131
PRO C  97
ILE C  76
 None
None
BU1  C 521 (-4.7A)
None
None
 1.06A 4q1wB-5eg6C:
undetectable		 4q1wB-5eg6C:
13.22
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.
4R21_A_STRA601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 4s28 PHOSPHOMETHYLPYRIMID
INE SYNTHASE,
CHLOROPLASTIC
(Arabidopsis
thaliana) 		4 / 6 ALA A 323
ILE A 371
ILE A 381
VAL A 417
 None
BU1  A 706 ( 4.8A)
None
None
 0.72A 4r21A-4s28A:
undetectable		 4r21A-4s28A:
23.33
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.
4YDQ_A_HFGA802_0
(PROLINE--TRNA LIGASE)		 4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE
(Vibrio
cholerae) 		5 / 12 LEU A 250
GLU A 243
VAL A 245
PRO A 233
GLY A 214
 None
None
None
None
BU1  A 307 (-4.1A)
 1.15A 4ydqA-4op4A:
undetectable		 4ydqA-4op4A:
19.92
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.
4Z53_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A
E-SITE DNA)		 4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE
(Vibrio
cholerae) 		4 / 6 GLY A 218
ASP A 217
GLY A 214
SER A 105
 BU1  A 307 ( 3.7A)
None
BU1  A 307 (-4.1A)
None
 0.83A 4z53A-4op4A:
1.9
4z53B-4op4A:
2.5		 4z53A-4op4A:
16.06
4z53B-4op4A:
16.06
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.
4Z53_H_TR6H101_1
(DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A
E-SITE DNA)		 4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE
(Vibrio
cholerae) 		4 / 7 GLY A 218
ASP A 217
GLY A 214
SER A 105
 BU1  A 307 ( 3.7A)
None
BU1  A 307 (-4.1A)
None
 0.84A 4z53A-4op4A:
2.7
4z53B-4op4A:
2.5		 4z53A-4op4A:
16.06
4z53B-4op4A:
16.06
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.
5CSY_B_ACRB601_2
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 3k65 PROTHROMBIN
(Homo
sapiens) 		4 / 5 TYR A 242
PHE A 208
LEU A 202
PRO A 222
 None
None
BU1  A 599 ( 4.7A)
None
 1.43A 5csyB-3k65A:
undetectable		 5csyB-3k65A:
12.77
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.
5ESL_A_1YNA701_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE
(Vibrio
cholerae) 		4 / 5 ALA A 248
PRO A 233
GLY A 218
LEU A 106
 None
None
BU1  A 307 ( 3.7A)
None
 0.97A 5eslA-4op4A:
undetectable		 5eslA-4op4A:
19.41
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.
5HGC_A_HCYA501_1
(SERPIN)		 3ot2 UNCHARACTERIZED
PROTEIN
(Trichormus
variabilis) 		5 / 12 ARG A  69
PHE A  14
ILE A  31
GLN A  33
SER A  24
 BU1  A 189 ( 4.2A)
BU1  A 189 (-4.0A)
None
None
BU1  A 189 ( 4.2A)
 1.33A 5hgcA-3ot2A:
undetectable		 5hgcA-3ot2A:
20.05
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.
5LJB_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 5kc9 GLUTAMATE RECEPTOR
IONOTROPIC, DELTA-1
(Mus
musculus) 		4 / 8 LEU A 270
LEU A 231
ILE A 318
GLN A 283
 BU1  A 520 (-4.1A)
None
None
None
 1.04A 5ljbA-5kc9A:
undetectable		 5ljbA-5kc9A:
13.51
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.
5TOA_B_ESTB601_1
(ESTROGEN RECEPTOR
BETA)		 4egw MAGNESIUM TRANSPORT
PROTEIN CORA
(Methanocaldococc
us
jannaschii) 		5 / 12 LEU A 180
LEU A 158
LEU A 161
ILE A 244
LEU A 165
 None
BU1  A 305 (-3.6A)
None
None
None
 1.11A 5toaB-4egwA:
undetectable		 5toaB-4egwA:
22.15
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_A_HFGA1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE
(Vibrio
cholerae) 		6 / 12 LEU A 250
GLU A 243
VAL A 245
PRO A 233
THR A 215
GLY A 214
 None
None
None
None
EDO  A 311 ( 4.9A)
BU1  A 307 (-4.1A)
 1.21A 5xipA-4op4A:
undetectable		 5xipA-4op4A:
20.16
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.
5XIP_C_HFGC1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE
(Vibrio
cholerae) 		5 / 12 LEU A 250
GLU A 243
VAL A 245
THR A 215
GLY A 214
 None
None
None
EDO  A 311 ( 4.9A)
BU1  A 307 (-4.1A)
 1.16A 5xipC-4op4A:
undetectable		 5xipC-4op4A:
20.16
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.
5XIQ_A_HFGA1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE
(Vibrio
cholerae) 		6 / 12 LEU A 250
GLU A 243
VAL A 245
PRO A 233
THR A 215
GLY A 214
 None
None
None
None
EDO  A 311 ( 4.9A)
BU1  A 307 (-4.1A)
 1.23A 5xiqA-4op4A:
undetectable		 5xiqA-4op4A:
18.65
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.
5XIQ_D_HFGD1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE
(Vibrio
cholerae) 		6 / 12 LEU A 250
GLU A 243
VAL A 245
PRO A 233
THR A 215
GLY A 214
 None
None
None
None
EDO  A 311 ( 4.9A)
BU1  A 307 (-4.1A)
 1.21A 5xiqD-4op4A:
undetectable		 5xiqD-4op4A:
18.65
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.
5Z84_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 5med ARACHIDONATE
15-LIPOXYGENASE
(Cyanothece
sp.
PCC
8801) 		3 / 3 TYR A 333
ARG A 260
THR A 261
 None
BU1  A1004 (-3.7A)
None
 0.91A 5z84J-5medA:
undetectable		 5z84J-5medA:
9.19
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.
6FGC_A_ACTA810_0
(GEPHYRIN)		 2x2u PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
(Homo
sapiens) 		3 / 3 LEU A  40
SER A 148
PHE A 147
 None
BU1  A1294 (-3.3A)
None
 0.59A 6fgcA-2x2uA:
undetectable		 6fgcA-2x2uA:
19.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6FGD_A_ACTA821_0
(GEPHYRIN)		 4u90 GEPHYRIN
(Rattus
norvegicus) 		3 / 3 ARG A 387
PHE A 388
GLY A 406
 BU1  A 801 ( 4.3A)
None
None
 0.17A 6fgdA-4u90A:
50.7		 6fgdA-4u90A:
100.00
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.
6MN8_A_HFGA603_0
(UNCHARACTERIZED
PROTEIN)		 4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE
(Vibrio
cholerae) 		5 / 12 GLU A 243
VAL A 245
PRO A 233
THR A 215
GLY A 214
 None
None
None
EDO  A 311 ( 4.9A)
BU1  A 307 (-4.1A)
 1.13A 6mn8A-4op4A:
undetectable		 6mn8A-4op4A:
19.84