SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'A80'


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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CBR_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE I)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
6 / 12 LEU A  28
ALA A  32
ALA A  35
THR A  54
THR A  56
ARG A  59
A80  A 201 ( 4.0A)
A80  A 201 ( 4.1A)
A80  A 201 ( 4.1A)
A80  A 201 (-3.5A)
A80  A 201 (-3.3A)
A80  A 201 (-4.8A)
1.37A 1cbrA-2cbrA:
27.2
1cbrA-2cbrA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CBR_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE I)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
12 / 12 PHE A  15
LEU A  28
ALA A  32
ALA A  36
PRO A  39
THR A  54
THR A  56
VAL A  58
ARG A  59
LEU A 120
ARG A 131
TYR A 133
None
A80  A 201 ( 4.0A)
A80  A 201 ( 4.1A)
A80  A 201 ( 4.0A)
A80  A 201 ( 4.9A)
A80  A 201 (-3.5A)
A80  A 201 (-3.3A)
None
A80  A 201 (-4.8A)
None
A80  A 201 (-3.8A)
A80  A 201 (-4.7A)
0.43A 1cbrA-2cbrA:
27.2
1cbrA-2cbrA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CBR_B_REAB200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE I)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
6 / 12 LEU A  28
ALA A  32
ALA A  35
THR A  54
THR A  56
ARG A  59
A80  A 201 ( 4.0A)
A80  A 201 ( 4.1A)
A80  A 201 ( 4.1A)
A80  A 201 (-3.5A)
A80  A 201 (-3.3A)
A80  A 201 (-4.8A)
1.37A 1cbrB-2cbrA:
27.3
1cbrB-2cbrA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CBR_B_REAB200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE I)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
12 / 12 PHE A  15
LEU A  28
ALA A  32
ALA A  36
PRO A  39
THR A  54
THR A  56
VAL A  58
ARG A  59
LEU A 120
ARG A 131
TYR A 133
None
A80  A 201 ( 4.0A)
A80  A 201 ( 4.1A)
A80  A 201 ( 4.0A)
A80  A 201 ( 4.9A)
A80  A 201 (-3.5A)
A80  A 201 (-3.3A)
None
A80  A 201 (-4.8A)
None
A80  A 201 (-3.8A)
A80  A 201 (-4.7A)
0.43A 1cbrB-2cbrA:
27.3
1cbrB-2cbrA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CBS_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE II)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
11 / 12 PHE A  15
LEU A  19
ALA A  32
ALA A  36
PRO A  39
THR A  54
THR A  56
VAL A  58
LEU A 120
ARG A 131
TYR A 133
None
None
A80  A 201 ( 4.1A)
A80  A 201 ( 4.0A)
A80  A 201 ( 4.9A)
A80  A 201 (-3.5A)
A80  A 201 (-3.3A)
None
None
A80  A 201 (-3.8A)
A80  A 201 (-4.7A)
0.45A 1cbsA-2cbrA:
26.6
1cbsA-2cbrA:
76.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CBS_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE II)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
5 / 12 PHE A  15
LEU A  19
ALA A  32
THR A  61
VAL A  58
None
None
A80  A 201 ( 4.1A)
None
None
0.91A 1cbsA-2cbrA:
26.6
1cbsA-2cbrA:
76.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CRB_A_RTLA200_0
(CELLULAR RETINOL
BINDING PROTEIN)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
5 / 12 LEU A  19
ALA A  32
ILE A  63
THR A  61
TRP A 109
None
A80  A 201 ( 4.1A)
None
None
None
0.89A 1crbA-2cbrA:
15.7
1crbA-2cbrA:
42.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CRB_A_RTLA200_0
(CELLULAR RETINOL
BINDING PROTEIN)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
5 / 12 PHE A  15
ALA A  32
ILE A  52
THR A  54
TRP A 109
None
A80  A 201 ( 4.1A)
None
A80  A 201 (-3.5A)
None
0.82A 1crbA-2cbrA:
15.7
1crbA-2cbrA:
42.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CRB_A_RTLA200_0
(CELLULAR RETINOL
BINDING PROTEIN)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
5 / 12 PHE A  15
LEU A  19
ALA A  32
ILE A  52
TRP A 109
None
None
A80  A 201 ( 4.1A)
None
None
0.94A 1crbA-2cbrA:
15.7
1crbA-2cbrA:
42.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CRB_A_RTLA200_0
(CELLULAR RETINOL
BINDING PROTEIN)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
5 / 12 PHE A  15
LEU A  19
ALA A  32
ILE A  63
TRP A 109
None
None
A80  A 201 ( 4.1A)
None
None
0.90A 1crbA-2cbrA:
15.7
1crbA-2cbrA:
42.14
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
7 / 12 TYR A  78
ARG A 212
ASP A 214
GLU A 268
HIS A 341
ASP A 342
ARG A 433
EDO  A8003 ( 4.4A)
None
EDO  A8003 ( 2.7A)
EDO  A8001 (-3.1A)
None
EDO  A8002 ( 3.5A)
None
0.80A 1dedB-3gbdA:
27.0
1dedB-3gbdA:
26.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MX8_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN I, HOLO)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
5 / 12 PHE A  15
LEU A  19
ALA A  32
THR A  61
PHE A  71
None
None
A80  A 201 ( 4.1A)
None
None
0.87A 1mx8A-2cbrA:
16.7
1mx8A-2cbrA:
42.14
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
8 / 12 TYR A  78
HIS A 118
PHE A 178
ARG A 212
ASP A 214
GLU A 268
HIS A 341
ASP A 342
EDO  A8003 ( 4.4A)
EDO  A8003 (-4.8A)
EDO  A8003 ( 3.9A)
None
EDO  A8003 ( 2.7A)
EDO  A8001 (-3.1A)
None
EDO  A8002 ( 3.5A)
0.98A 1mxdA-3gbdA:
22.3
1mxdA-3gbdA:
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.
1QKN_A_RALA600_2
(ESTROGEN RECEPTOR
BETA)
3q3q ALKALINE PHOSPHATASE
(Sphingomonas
sp.
BSAR-1)
3 / 3 ASP A 399
LEU A 469
HIS A 346
None
GOL  A8002 ( 4.8A)
ZN  A1559 ( 3.2A)
0.59A 1qknA-3q3qA:
undetectable
1qknA-3q3qA:
17.91
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.
1TDN_A_LEUA487_0
(L-AMINO ACID OXIDASE)
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
4 / 7 ASN A 343
HIS A 349
PHE A 350
TRP A 312
None
None
None
EDO  A8008 (-4.0A)
1.49A 1tdnA-3gbdA:
undetectable
1tdnA-3gbdA:
22.35
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.
2AOX_A_THAA400_1
(HISTAMINE
N-METHYLTRANSFERASE)
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
4 / 8 PHE A 317
PHE A 524
TYR A 509
TYR A 496
None
EDO  A8008 ( 4.8A)
None
None
1.21A 2aoxA-3gbdA:
undetectable
2aoxA-3gbdA:
19.13
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.
2DTT_C_H4BC1002_1
(HYPOTHETICAL PROTEIN
PH0634)
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
4 / 6 TYR A  78
ASP A  75
PHE A 178
THR A 215
EDO  A8003 ( 4.4A)
EDO  A8003 (-2.8A)
EDO  A8003 ( 3.9A)
EDO  A8001 ( 4.2A)
1.16A 2dttB-3gbdA:
undetectable
2dttC-3gbdA:
undetectable
2dttB-3gbdA:
11.89
2dttC-3gbdA:
11.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2FR3_A_REAA300_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
2)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
11 / 12 PHE A  15
LEU A  19
ALA A  32
ALA A  36
PRO A  39
THR A  54
THR A  56
VAL A  58
LEU A 120
ARG A 131
TYR A 133
None
None
A80  A 201 ( 4.1A)
A80  A 201 ( 4.0A)
A80  A 201 ( 4.9A)
A80  A 201 (-3.5A)
A80  A 201 (-3.3A)
None
None
A80  A 201 (-3.8A)
A80  A 201 (-4.7A)
0.47A 2fr3A-2cbrA:
26.9
2fr3A-2cbrA:
76.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2FR3_A_REAA300_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
2)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
5 / 12 PHE A  15
LEU A  19
ALA A  32
THR A  61
VAL A  58
None
None
A80  A 201 ( 4.1A)
None
None
0.99A 2fr3A-2cbrA:
26.9
2fr3A-2cbrA:
76.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2G78_A_REAA200_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
9 / 12 PHE A  15
LEU A  19
ALA A  32
THR A  54
THR A  56
VAL A  58
VAL A  76
ARG A 111
LEU A 120
None
None
A80  A 201 ( 4.1A)
A80  A 201 (-3.5A)
A80  A 201 (-3.3A)
None
None
None
None
0.54A 2g78A-2cbrA:
26.9
2g78A-2cbrA:
75.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2G78_A_REAA200_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
6 / 12 PHE A  15
LEU A  19
ALA A  32
THR A  61
VAL A  58
VAL A  76
None
None
A80  A 201 ( 4.1A)
None
None
None
1.37A 2g78A-2cbrA:
26.9
2g78A-2cbrA:
75.18
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.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)
3fzy RTX TOXIN RTXA
(Vibrio
cholerae)
5 / 12 SER A3487
GLU A3485
ASP A3452
GLY A3453
LYS A3611
None
None
None
None
IHP  A8000 (-2.9A)
1.20A 2kceA-3fzyA:
undetectable
2kceA-3fzyA:
22.11
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.
2Q8H_A_TF4A438_1
([PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 1)
2hiy HYPOTHETICAL PROTEIN
(Streptococcus
pneumoniae)
4 / 6 LEU A 154
TYR A 150
ILE A 135
ILE A 165
GOL  A8002 ( 4.5A)
None
None
None
0.96A 2q8hA-2hiyA:
undetectable
2q8hA-2hiyA:
21.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_A_TDZA201_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
5 / 12 PHE A  15
ALA A  32
THR A  61
ARG A 131
TYR A 133
None
A80  A 201 ( 4.1A)
None
A80  A 201 (-3.8A)
A80  A 201 (-4.7A)
0.89A 2qm9A-2cbrA:
18.7
2qm9A-2cbrA:
32.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_A_TDZA201_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
5 / 12 PHE A  15
ALA A  32
THR A  61
CYH A 129
TYR A 133
None
A80  A 201 ( 4.1A)
None
None
A80  A 201 (-4.7A)
1.38A 2qm9A-2cbrA:
18.7
2qm9A-2cbrA:
32.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_A_TDZA201_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
5 / 12 PHE A  15
VAL A  24
ALA A  32
THR A  61
CYH A 129
None
None
A80  A 201 ( 4.1A)
None
None
1.22A 2qm9A-2cbrA:
18.7
2qm9A-2cbrA:
32.92
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.
2QX4_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
4 / 7 GLY A 271
THR A 241
PHE A 178
PHE A 159
None
None
EDO  A8003 ( 3.9A)
None
1.04A 2qx4A-3gbdA:
undetectable
2qx4B-3gbdA:
undetectable
2qx4A-3gbdA:
16.08
2qx4B-3gbdA:
16.08
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.
2VCV_I_ASDI1224_1
(GLUTATHIONE
S-TRANSFERASE A3)
2hiy HYPOTHETICAL PROTEIN
(Streptococcus
pneumoniae)
5 / 9 LEU A 128
LEU A 103
ALA A 149
LEU A 154
PHE A 159
None
None
None
GOL  A8002 ( 4.5A)
None
1.20A 2vcvI-2hiyA:
undetectable
2vcvI-2hiyA:
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.
2XNR_A_ACTA1001_0
(NUCLEAR
POLYADENYLATED
RNA-BINDING PROTEIN
3)
1rzm PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Thermotoga
maritima)
3 / 3 SER A 271
ARG A 247
GLN A 312
None
None
CD  A8001 ( 4.7A)
0.94A 2xnrA-1rzmA:
3.4
2xnrA-1rzmA:
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.
2ZQ9_A_CLSA11_1
(BETA-LACTAMASE
TOHO-1)
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
4 / 4 GLU A 401
ARG A 429
ASN A 343
ASP A 342
EDO  A8002 (-3.3A)
EDO  A8003 ( 3.2A)
None
EDO  A8002 ( 3.5A)
1.40A 2zq9A-3gbdA:
undetectable
2zq9A-3gbdA:
19.38
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.
2ZUL_A_SAMA376_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)
3q3q ALKALINE PHOSPHATASE
(Sphingomonas
sp.
BSAR-1)
5 / 12 GLY A 492
ALA A  86
VAL A 476
PRO A 396
VAL A 366
GOL  A8002 (-4.8A)
GOL  A8002 (-3.9A)
None
None
None
1.10A 2zulA-3q3qA:
undetectable
2zulA-3q3qA:
23.17
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.
2ZW9_B_SAMB801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)
3fzy RTX TOXIN RTXA
(Vibrio
cholerae)
4 / 8 ILE A3584
LYS A3511
ARG A3457
SER A3632
UNX  A 327 (-4.3A)
CL  A   1 ( 4.2A)
IHP  A8000 ( 4.0A)
None
1.05A 2zw9B-3fzyA:
undetectable
2zw9B-3fzyA:
15.14
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
6 / 12 ARG A 212
ASP A 214
GLU A 268
HIS A 341
ASP A 342
ASP A  75
None
EDO  A8003 ( 2.7A)
EDO  A8001 (-3.1A)
None
EDO  A8002 ( 3.5A)
EDO  A8003 (-2.8A)
0.74A 3aicA-3gbdA:
4.6
3aicA-3gbdA:
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
6 / 12 ARG A 212
ASP A 214
GLU A 268
HIS A 341
ASP A 342
ASP A  75
None
EDO  A8003 ( 2.7A)
EDO  A8001 (-3.1A)
None
EDO  A8002 ( 3.5A)
EDO  A8003 (-2.8A)
0.76A 3aicB-3gbdA:
3.3
3aicB-3gbdA:
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
7 / 12 ARG A 212
ASP A 214
GLU A 268
HIS A 341
ASP A 342
ASP A  75
TYR A  78
None
EDO  A8003 ( 2.7A)
EDO  A8001 (-3.1A)
None
EDO  A8002 ( 3.5A)
EDO  A8003 (-2.8A)
EDO  A8003 ( 4.4A)
0.72A 3aicC-3gbdA:
7.5
3aicC-3gbdA:
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
6 / 12 ARG A 212
GLU A 268
HIS A 341
ASP A 342
TYR A  78
GLN A 182
None
EDO  A8001 (-3.1A)
None
EDO  A8002 ( 3.5A)
EDO  A8003 ( 4.4A)
None
1.03A 3aicC-3gbdA:
7.5
3aicC-3gbdA:
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
6 / 12 ARG A 212
ASP A 214
GLU A 268
HIS A 341
ASP A 342
ASP A  75
None
EDO  A8003 ( 2.7A)
EDO  A8001 (-3.1A)
None
EDO  A8002 ( 3.5A)
EDO  A8003 (-2.8A)
0.82A 3aicD-3gbdA:
4.3
3aicD-3gbdA:
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
6 / 12 ARG A 212
ASP A 214
GLU A 268
HIS A 341
ASP A 342
ASP A  75
None
EDO  A8003 ( 2.7A)
EDO  A8001 (-3.1A)
None
EDO  A8002 ( 3.5A)
EDO  A8003 (-2.8A)
0.80A 3aicE-3gbdA:
7.7
3aicE-3gbdA:
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
6 / 12 ARG A 212
ASP A 214
GLU A 268
HIS A 341
ASP A 342
ASP A  75
None
EDO  A8003 ( 2.7A)
EDO  A8001 (-3.1A)
None
EDO  A8002 ( 3.5A)
EDO  A8003 (-2.8A)
0.80A 3aicF-3gbdA:
4.3
3aicF-3gbdA:
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
6 / 12 ARG A 212
ASP A 214
GLU A 268
HIS A 341
ASP A 342
ASP A  75
None
EDO  A8003 ( 2.7A)
EDO  A8001 (-3.1A)
None
EDO  A8002 ( 3.5A)
EDO  A8003 (-2.8A)
0.77A 3aicG-3gbdA:
7.8
3aicG-3gbdA:
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
6 / 12 ARG A 212
ASP A 214
GLU A 268
HIS A 341
ASP A 342
ASP A  75
None
EDO  A8003 ( 2.7A)
EDO  A8001 (-3.1A)
None
EDO  A8002 ( 3.5A)
EDO  A8003 (-2.8A)
0.78A 3aicH-3gbdA:
4.2
3aicH-3gbdA:
21.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CWK_A_REAA300_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
5 / 12 LEU A  28
PRO A  39
THR A  56
VAL A  58
ARG A  59
A80  A 201 ( 4.0A)
A80  A 201 ( 4.9A)
A80  A 201 (-3.3A)
None
A80  A 201 (-4.8A)
0.93A 3cwkA-2cbrA:
26.0
3cwkA-2cbrA:
72.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CWK_A_REAA300_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
8 / 12 PHE A  15
LEU A  19
LEU A  28
ALA A  32
ALA A  36
PRO A  39
THR A  56
VAL A  58
None
None
A80  A 201 ( 4.0A)
A80  A 201 ( 4.1A)
A80  A 201 ( 4.0A)
A80  A 201 ( 4.9A)
A80  A 201 (-3.3A)
None
0.49A 3cwkA-2cbrA:
26.0
3cwkA-2cbrA:
72.99
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.
3DMF_A_SAMA388_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)
3q3q ALKALINE PHOSPHATASE
(Sphingomonas
sp.
BSAR-1)
5 / 12 GLY A 492
ALA A  86
VAL A 476
PRO A 396
VAL A 366
GOL  A8002 (-4.8A)
GOL  A8002 (-3.9A)
None
None
None
1.06A 3dmfA-3q3qA:
undetectable
3dmfA-3q3qA:
23.92
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.
3DMH_A_SAMA384_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)
3q3q ALKALINE PHOSPHATASE
(Sphingomonas
sp.
BSAR-1)
5 / 12 GLY A 492
ALA A  86
VAL A 476
PRO A 396
VAL A 366
GOL  A8002 (-4.8A)
GOL  A8002 (-3.9A)
None
None
None
1.08A 3dmhA-3q3qA:
undetectable
3dmhA-3q3qA:
23.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3P6G_A_IZPA133_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
5 / 12 PHE A  15
PRO A  39
ARG A 111
ARG A 131
TYR A 133
None
A80  A 201 ( 4.9A)
None
A80  A 201 (-3.8A)
A80  A 201 (-4.7A)
0.66A 3p6gA-2cbrA:
18.8
3p6gA-2cbrA:
36.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3P6G_A_IZPA133_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
5 / 12 PHE A  15
PRO A  39
CYH A 129
ARG A 131
TYR A 133
None
A80  A 201 ( 4.9A)
None
A80  A 201 (-3.8A)
A80  A 201 (-4.7A)
1.40A 3p6gA-2cbrA:
18.8
3p6gA-2cbrA:
36.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QXT_B_MTXB2000_1
(ANTI-METHOTREXATE
CDR1-3 GRAFT VHH)
1sjx IMMUNOGLOBULIN VH
DOMAIN

(Lama
glama)
6 / 12 VAL A 802
LEU A 804
MET A 834
VAL A 878
ALA A 897
TYR A 908
None
None
MPD  A8001 ( 3.5A)
None
None
None
0.87A 3qxtB-1sjxA:
21.0
3qxtB-1sjxA:
69.60
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.
3TMZ_A_06XA503_1
(CYTOCHROME P450 2B4)
1rzm PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Thermotoga
maritima)
5 / 11 ILE A 233
ILE A 224
GLU A 164
PRO A 203
VAL A 162
None
None
PEP  A8002 ( 4.8A)
None
None
1.11A 3tmzA-1rzmA:
undetectable
3tmzA-1rzmA:
21.41
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.
3V3N_A_MIYA2001_1
(TETX2 PROTEIN)
1sjx IMMUNOGLOBULIN VH
DOMAIN

(Lama
glama)
5 / 11 GLN A 911
MET A 834
GLY A 910
GLY A 826
ASN A 876
None
MPD  A8001 ( 3.5A)
None
None
None
1.39A 3v3nA-1sjxA:
undetectable
3v3nA-1sjxA:
17.41
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.
3V3N_D_MIYD2001_1
(TETX2 PROTEIN)
1sjx IMMUNOGLOBULIN VH
DOMAIN

(Lama
glama)
5 / 11 GLN A 911
MET A 834
GLY A 910
GLY A 826
ASN A 876
None
MPD  A8001 ( 3.5A)
None
None
None
1.39A 3v3nD-1sjxA:
undetectable
3v3nD-1sjxA:
17.41
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.
4A99_D_MIYD391_1
(TETX2 PROTEIN)
1sjx IMMUNOGLOBULIN VH
DOMAIN

(Lama
glama)
5 / 11 GLN A 911
MET A 834
GLY A 910
GLY A 826
ASN A 876
None
MPD  A8001 ( 3.5A)
None
None
None
1.42A 4a99D-1sjxA:
undetectable
4a99D-1sjxA:
16.37
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.
4AN2_A_EUIA1382_1
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)
3dtc MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 9

(Homo
sapiens)
6 / 12 MET A 220
ASP A 268
LYS A 270
ASN A 273
GLY A 296
GLY A 311
VIN  A6331 (-3.7A)
SO4  A8001 ( 4.8A)
SO4  A8001 (-3.0A)
VIN  A6331 ( 4.8A)
None
None
0.97A 4an2A-3dtcA:
25.9
4an2A-3dtcA:
28.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4CKJ_A_ADNA2014_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)
3dtc MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 9

(Homo
sapiens)
6 / 10 GLY A 151
GLY A 153
VAL A 158
ALA A 169
ALA A 223
LEU A 275
VIN  A6331 (-3.5A)
SO4  A8001 ( 4.3A)
VIN  A6331 (-4.7A)
VIN  A6331 (-3.4A)
VIN  A6331 (-3.8A)
VIN  A6331 (-4.5A)
0.51A 4ckjA-3dtcA:
26.8
4ckjA-3dtcA:
33.13
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.
4DTZ_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT 8C8)
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
4 / 6 PHE A 524
ALA A 364
LEU A 368
THR A 367
EDO  A8008 ( 4.8A)
None
None
None
0.98A 4dtzA-3gbdA:
undetectable
4dtzA-3gbdA:
21.37
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.
4I41_A_MIXA500_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)
3dtc MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 9

(Homo
sapiens)
8 / 12 PHE A 155
VAL A 158
ALA A 169
ILE A 204
ASP A 268
ASN A 273
LEU A 275
ASP A 294
VIN  A6331 ( 2.9A)
VIN  A6331 (-4.7A)
VIN  A6331 (-3.4A)
VIN  A6331 ( 4.9A)
SO4  A8001 ( 4.8A)
VIN  A6331 ( 4.8A)
VIN  A6331 (-4.5A)
VIN  A6331 (-4.0A)
0.86A 4i41A-3dtcA:
22.0
4i41A-3dtcA:
28.34
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.
4I41_A_MIXA500_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)
3dtc MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 9

(Homo
sapiens)
8 / 12 PHE A 155
VAL A 158
ALA A 169
ILE A 204
ASP A 268
LYS A 270
ASN A 273
LEU A 275
VIN  A6331 ( 2.9A)
VIN  A6331 (-4.7A)
VIN  A6331 (-3.4A)
VIN  A6331 ( 4.9A)
SO4  A8001 ( 4.8A)
SO4  A8001 (-3.0A)
VIN  A6331 ( 4.8A)
VIN  A6331 (-4.5A)
0.87A 4i41A-3dtcA:
22.0
4i41A-3dtcA:
28.34
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.
4L9I_B_8PRB601_1
(RHODOPSIN KINASE)
3dtc MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 9

(Homo
sapiens)
5 / 8 GLY A 153
VAL A 158
ALA A 169
LYS A 171
MET A 220
SO4  A8001 ( 4.3A)
VIN  A6331 (-4.7A)
VIN  A6331 (-3.4A)
None
VIN  A6331 (-3.7A)
1.05A 4l9iB-3dtcA:
19.7
4l9iB-3dtcA:
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.
4L9I_B_8PRB601_1
(RHODOPSIN KINASE)
3dtc MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 9

(Homo
sapiens)
5 / 8 GLY A 153
VAL A 158
ALA A 169
MET A 220
LEU A 275
SO4  A8001 ( 4.3A)
VIN  A6331 (-4.7A)
VIN  A6331 (-3.4A)
VIN  A6331 (-3.7A)
VIN  A6331 (-4.5A)
0.63A 4l9iB-3dtcA:
19.7
4l9iB-3dtcA:
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.
4MJ8_A_SPMA202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)
1d8c MALATE SYNTHASE G
(Escherichia
coli)
4 / 8 ILE A 260
GLU A 239
GLN A 241
ILE A 242
SO4  A8000 (-3.9A)
SO4  A8000 ( 4.7A)
SO4  A8000 (-3.6A)
None
0.79A 4mj8A-1d8cA:
undetectable
4mj8A-1d8cA:
12.31
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.
4O8J_A_ADNA401_1
(RNA 3'-TERMINAL
PHOSPHATE CYCLASE)
3fzy RTX TOXIN RTXA
(Vibrio
cholerae)
5 / 12 GLN A3461
ARG A3513
GLN A3515
ASP A3606
HIS A3483
None
IHP  A8000 (-2.6A)
IHP  A8000 ( 4.4A)
None
IHP  A8000 (-3.8A)
1.19A 4o8jA-3fzyA:
0.0
4o8jA-3fzyA:
20.50
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.
4O8J_B_ADNB401_1
(RNA 3'-TERMINAL
PHOSPHATE CYCLASE)
3fzy RTX TOXIN RTXA
(Vibrio
cholerae)
5 / 12 GLN A3461
ARG A3513
GLN A3515
ASP A3606
HIS A3483
None
IHP  A8000 (-2.6A)
IHP  A8000 ( 4.4A)
None
IHP  A8000 (-3.8A)
1.14A 4o8jB-3fzyA:
0.1
4o8jB-3fzyA:
20.50
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.
4PEV_A_ADNA501_1
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
5 / 12 VAL A 402
SER A 157
PHE A 159
ASP A  75
GLY A 160
None
None
None
EDO  A8003 (-2.8A)
EDO  A8004 (-3.7A)
1.49A 4pevA-3gbdA:
1.3
4pevA-3gbdA:
20.21
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.
4QOI_A_ML1A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
4 / 8 TYR A 240
PHE A 236
GLY A 160
ILE A 400
None
EDO  A8004 (-4.8A)
EDO  A8004 (-3.7A)
None
0.90A 4qoiA-3gbdA:
undetectable
4qoiB-3gbdA:
undetectable
4qoiA-3gbdA:
16.08
4qoiB-3gbdA:
16.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QYN_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 2)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
5 / 12 PHE A  15
ALA A  32
THR A  54
TRP A 109
LEU A 120
None
A80  A 201 ( 4.1A)
A80  A 201 (-3.5A)
None
None
0.75A 4qynA-2cbrA:
20.1
4qynA-2cbrA:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QZU_B_RTLB201_0
(RETINOL-BINDING
PROTEIN 2)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
5 / 12 PHE A  15
ALA A  32
THR A  54
TRP A 109
LEU A 120
None
A80  A 201 ( 4.1A)
A80  A 201 (-3.5A)
None
None
0.65A 4qzuB-2cbrA:
20.3
4qzuB-2cbrA:
35.97
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.
5B3S_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)
3l8m PROBABLE THIAMINE
PYROPHOSPHOKINASE

(Staphylococcus
saprophyticus)
4 / 7 LYS A 126
LEU A 127
PHE A 106
LEU A 110
NA  A8001 (-4.8A)
None
None
None
0.82A 5b3sP-3l8mA:
undetectable
5b3sP-3l8mA:
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
5 / 12 ARG A 212
ASP A 214
GLU A 268
HIS A 341
ASP A 342
None
EDO  A8003 ( 2.7A)
EDO  A8001 (-3.1A)
None
EDO  A8002 ( 3.5A)
0.47A 5csyB-3gbdA:
17.5
5csyB-3gbdA:
19.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H8T_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)
2cbr PROTEIN (CRABP-I)
(Bos
taurus)
5 / 12 PHE A  15
LEU A  19
ALA A  32
ILE A  52
LEU A 120
None
None
A80  A 201 ( 4.1A)
None
None
0.55A 5h8tA-2cbrA:
19.8
5h8tA-2cbrA:
41.55
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.
5VCY_A_DB8A401_2
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
4 / 4 VAL A 468
LEU A  58
ASN A 463
ASP A 439
EDO  A8005 (-4.6A)
None
None
None
1.35A 5vcyA-3gbdA:
2.4
5vcyA-3gbdA:
19.51
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica)
5 / 12 TYR A  78
HIS A 118
ASP A 214
HIS A 341
ASP A 342
EDO  A8003 ( 4.4A)
EDO  A8003 (-4.8A)
EDO  A8003 ( 2.7A)
None
EDO  A8002 ( 3.5A)
0.42A 6ag0A-3gbdA:
19.5
6ag0A-3gbdA:
11.43
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.
6B58_A_ACTA607_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)
1rzm PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Thermotoga
maritima)
4 / 4 GLY A 274
ARG A 237
ASN A 248
LEU A 250
None
PEP  A8002 (-3.9A)
None
None
1.18A 6b58A-1rzmA:
undetectable
6b58A-1rzmA:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)
1rzm PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Thermotoga
maritima)
3 / 3 ARG A 247
ARG A 126
ARG A 133
None
PEP  A8002 (-3.2A)
E4P  A8003 (-4.1A)
1.08A 6bplA-1rzmA:
undetectable
6bplB-1rzmA:
0.8
6bplA-1rzmA:
16.85
6bplB-1rzmA:
16.85
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.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)
1rzm PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Thermotoga
maritima)
3 / 3 ARG A 247
ARG A 126
ARG A 237
None
PEP  A8002 (-3.2A)
PEP  A8002 (-3.9A)
1.09A 6bplA-1rzmA:
undetectable
6bplB-1rzmA:
0.8
6bplA-1rzmA:
16.85
6bplB-1rzmA:
16.85