SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'PE4'


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.
1C4D_B_DVAB6_0
(GRAMICIDIN A)		 3gk6 INTEGRON CASSETTE
PROTEIN VCH_CASS2
(Vibrio
cholerae) 		3 / 3 TRP A 111
ALA A  99
VAL A 107
 None
None
PE4  A6061 (-4.6A)
 0.91A 1c4dA-3gk6A:
undetectable
1c4dB-3gk6A:
undetectable		 1c4dA-3gk6A:
9.43
1c4dB-3gk6A:
9.43
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.
1C4D_C_DVAC6_0
(GRAMICIDIN A)		 3gk6 INTEGRON CASSETTE
PROTEIN VCH_CASS2
(Vibrio
cholerae) 		3 / 3 ALA A  99
VAL A 107
TRP A 111
 None
PE4  A6061 (-4.6A)
None
 0.86A 1c4dC-3gk6A:
undetectable
1c4dD-3gk6A:
undetectable		 1c4dC-3gk6A:
9.43
1c4dD-3gk6A:
9.43
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.
1C4D_C_DVAC6_0
(GRAMICIDIN A)		 5dqp EDTA MONOOXYGENASE
(EDTA-degrading
bacterium
BNC1) 		3 / 3 ALA A  56
VAL A  93
TRP A 122
 PE4  A 501 (-3.0A)
None
None
 0.75A 1c4dC-5dqpA:
undetectable
1c4dD-5dqpA:
undetectable		 1c4dC-5dqpA:
3.01
1c4dD-5dqpA:
3.01
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.
1C4D_D_DVAD6_0
(GRAMICIDIN A)		 3gk6 INTEGRON CASSETTE
PROTEIN VCH_CASS2
(Vibrio
cholerae) 		3 / 3 TRP A 111
ALA A  99
VAL A 107
 None
None
PE4  A6061 (-4.6A)
 0.81A 1c4dC-3gk6A:
undetectable
1c4dD-3gk6A:
undetectable		 1c4dC-3gk6A:
9.43
1c4dD-3gk6A:
9.43
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.
1C4D_D_DVAD6_0
(GRAMICIDIN A)		 5dqp EDTA MONOOXYGENASE
(EDTA-degrading
bacterium
BNC1) 		3 / 3 TRP A 122
ALA A  56
VAL A  93
 None
PE4  A 501 (-3.0A)
None
 0.88A 1c4dC-5dqpA:
undetectable
1c4dD-5dqpA:
undetectable		 1c4dC-5dqpA:
3.01
1c4dD-5dqpA:
3.01
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.
1EII_A_RTLA135_1
(CELLULAR
RETINOL-BINDING
PROTEIN II)		 2gou OXIDOREDUCTASE,
FMN-BINDING
(Shewanella
oneidensis) 		4 / 7 GLN A  60
THR A  71
TYR A  68
GLN A 100
 None
None
PE4  A4124 (-3.8A)
FMN  A4401 (-3.0A)
 1.22A 1eiiA-2gouA:
undetectable		 1eiiA-2gouA:
16.25
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.
1EKJ_C_ACTC3004_0
(BETA-CARBONIC
ANHYDRASE)		 4ayr MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E
(Caulobacter
sp.
K31) 		4 / 6 GLN A  99
ASP A 103
VAL A 105
GLY A 101
 PE4  A 512 (-4.3A)
None
None
None
 1.15A 1ekjC-4ayrA:
undetectable
1ekjD-4ayrA:
undetectable		 1ekjC-4ayrA:
18.00
1ekjD-4ayrA:
18.00
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.
1EKJ_C_ACTC3007_0
(BETA-CARBONIC
ANHYDRASE)		 4ayr MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E
(Caulobacter
sp.
K31) 		4 / 6 ASP A 103
VAL A 105
GLY A 101
GLN A  99
 None
None
None
PE4  A 512 (-4.3A)
 1.13A 1ekjC-4ayrA:
undetectable
1ekjD-4ayrA:
undetectable		 1ekjC-4ayrA:
18.00
1ekjD-4ayrA:
18.00
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.
1KNY_A_KANA558_1
(KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE)		 3ebw PER A 4 ALLERGEN
(Periplaneta
americana) 		4 / 7 ASP A 153
GLU A 155
GLU A  26
GLU A  35
 None
None
PE4  A5747 (-3.3A)
PE4  A5747 (-3.5A)
 1.16A 1knyA-3ebwA:
undetectable
1knyB-3ebwA:
undetectable		 1knyA-3ebwA:
21.88
1knyB-3ebwA:
21.88
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.
1KNY_B_KANB559_1
(KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE)		 3ebw PER A 4 ALLERGEN
(Periplaneta
americana) 		4 / 8 GLU A  35
ASP A 153
GLU A 155
GLU A  26
 PE4  A5747 (-3.5A)
None
None
PE4  A5747 (-3.3A)
 1.03A 1knyA-3ebwA:
undetectable
1knyB-3ebwA:
undetectable		 1knyA-3ebwA:
21.88
1knyB-3ebwA:
21.88
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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		 6ce2 -
(-) 		4 / 7 GLY A  30
HIS A  48
TYR A  52
PRO A  68
 PE4  A 201 ( 3.6A)
None
None
None
 0.31A 1th6A-6ce2A:
21.1		 1th6A-6ce2A:
undetectable
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.
1TKQ_B_DVAB6_0
(GRAMICIDIN A)		 5dqp EDTA MONOOXYGENASE
(EDTA-degrading
bacterium
BNC1) 		3 / 3 ALA A  56
VAL A  93
TRP A 122
 PE4  A 501 (-3.0A)
None
None
 0.89A 1tkqB-5dqpA:
undetectable		 1tkqB-5dqpA:
2.61
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.
1Y4L_B_SVRB301_1
(PHOSPHOLIPASE A2
HOMOLOG 2)		 6ce2 -
(-) 		7 / 12 LEU A   2
GLY A  23
GLY A  30
GLY A  33
ARG A  34
LYS A  49
TYR A  52
 PE4  A 201 ( 4.3A)
PE4  A 201 ( 3.9A)
PE4  A 201 ( 3.6A)
None
None
None
None
 1.14A 1y4lA-6ce2A:
23.8		 1y4lA-6ce2A:
undetectable
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.
1Y4L_B_SVRB301_1
(PHOSPHOLIPASE A2
HOMOLOG 2)		 6ce2 -
(-) 		7 / 12 LEU A   2
GLY A  23
GLY A  30
GLY A  33
LYS A  49
TYR A  52
PRO A  68
 PE4  A 201 ( 4.3A)
PE4  A 201 ( 3.9A)
PE4  A 201 ( 3.6A)
None
None
None
None
 0.65A 1y4lA-6ce2A:
23.8		 1y4lA-6ce2A:
undetectable
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.
1Y4L_B_SVRB301_1
(PHOSPHOLIPASE A2
HOMOLOG 2)		 6ce2 -
(-) 		7 / 12 LEU A   2
GLY A  23
GLY A  30
LEU A  32
GLY A  33
LYS A  49
TYR A  52
 PE4  A 201 ( 4.3A)
PE4  A 201 ( 3.9A)
PE4  A 201 ( 3.6A)
None
None
None
None
 1.12A 1y4lA-6ce2A:
23.8		 1y4lA-6ce2A:
undetectable
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.
1Y4L_B_SVRB301_1
(PHOSPHOLIPASE A2
HOMOLOG 2)		 6ce2 -
(-) 		6 / 12 LEU A   5
GLY A  23
GLY A  30
LEU A  32
GLY A  33
LYS A  49
 PE4  A 201 ( 4.7A)
PE4  A 201 ( 3.9A)
PE4  A 201 ( 3.6A)
None
None
None
 1.38A 1y4lA-6ce2A:
23.8		 1y4lA-6ce2A:
undetectable
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.
1Y4L_B_SVRB301_2
(PHOSPHOLIPASE A2
HOMOLOG 2)		 6ce2 -
(-) 		6 / 11 LEU A   2
LEU A   5
ARG A  34
HIS A  48
LYS A  49
TYR A  52
 PE4  A 201 ( 4.3A)
PE4  A 201 ( 4.7A)
None
None
None
None
 1.09A 1y4lB-6ce2A:
23.4		 1y4lB-6ce2A:
undetectable
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.
1Y4L_B_SVRB301_2
(PHOSPHOLIPASE A2
HOMOLOG 2)		 6ce2 -
(-) 		7 / 11 LEU A   2
LEU A   5
VAL A  31
GLY A  33
HIS A  48
LYS A  49
TYR A  52
 PE4  A 201 ( 4.3A)
PE4  A 201 ( 4.7A)
None
None
None
None
None
 0.76A 1y4lB-6ce2A:
23.4		 1y4lB-6ce2A:
undetectable
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.
1Y4L_B_SVRB301_2
(PHOSPHOLIPASE A2
HOMOLOG 2)		 6ce2 -
(-) 		5 / 11 LEU A   5
ARG A  34
HIS A  48
TYR A  52
LYS A  53
 PE4  A 201 ( 4.7A)
None
None
None
None
 1.19A 1y4lB-6ce2A:
23.4		 1y4lB-6ce2A:
undetectable
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 6ce2 -
(-) 		4 / 7 GLY A  30
HIS A  48
TYR A  52
PRO A  68
 PE4  A 201 ( 3.6A)
None
None
None
 0.34A 2armA-6ce2A:
21.1		 2armA-6ce2A:
undetectable
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.
2BXM_A_IMNA2002_1
(SERUM ALBUMIN)		 3v4c ALDEHYDE
DEHYDROGENASE
(NADP+)
(Sinorhizobium
meliloti) 		5 / 11 ARG A  96
LEU A 160
ILE A  75
ARG A 103
GLY A 106
 None
None
None
PE4  A 506 (-4.5A)
PE4  A 506 ( 4.1A)
 1.21A 2bxmA-3v4cA:
4.7		 2bxmA-3v4cA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		 5dqp EDTA MONOOXYGENASE
(EDTA-degrading
bacterium
BNC1) 		3 / 3 ASN A 123
TYR A 147
SER A  96
 PE4  A 501 (-3.2A)
SO4  A 502 (-4.4A)
None
 0.85A 2gvcB-5dqpA:
1.1		 2gvcB-5dqpA:
22.84
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.
2GVC_E_MMZE501_1
(MONOOXYGENASE)		 5dqp EDTA MONOOXYGENASE
(EDTA-degrading
bacterium
BNC1) 		3 / 3 ASN A 123
TYR A 147
SER A  96
 PE4  A 501 (-3.2A)
SO4  A 502 (-4.4A)
None
 0.84A 2gvcE-5dqpA:
undetectable		 2gvcE-5dqpA:
22.84
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.
2JC9_A_ADNA1497_1
(CYTOSOLIC PURINE
5'-NUCLEOTIDASE)		 4h41 PUTATIVE
ALPHA-L-FUCOSIDASE
(Bacteroides
thetaiotaomicron) 		4 / 7 ASP A 157
THR A 196
ILE A 200
PHE A 203
 PE4  A 405 (-2.4A)
None
None
None
 1.16A 2jc9A-4h41A:
undetectable		 2jc9A-4h41A:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q64_B_1UNB1001_2
(PROTEASE RETROPEPSIN)		 3v4c ALDEHYDE
DEHYDROGENASE
(NADP+)
(Sinorhizobium
meliloti) 		3 / 3 ARG A 103
THR A 475
VAL A 477
 PE4  A 506 (-4.5A)
None
None
 0.96A 2q64A-3v4cA:
undetectable		 2q64A-3v4cA:
11.41
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.
2X2I_A_QPSA1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 5dqp EDTA MONOOXYGENASE
(EDTA-degrading
bacterium
BNC1) 		5 / 12 THR A  94
ASN A 123
TRP A 122
VAL A 210
GLY A 227
 PE4  A 501 (-2.8A)
PE4  A 501 (-3.2A)
None
None
None
 1.19A 2x2iA-5dqpA:
undetectable		 2x2iA-5dqpA:
16.89
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.
2X2I_C_QPSC1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 5dqp EDTA MONOOXYGENASE
(EDTA-degrading
bacterium
BNC1) 		5 / 12 THR A  94
ASN A 123
TRP A 122
VAL A 210
GLY A 227
 PE4  A 501 (-2.8A)
PE4  A 501 (-3.2A)
None
None
None
 1.25A 2x2iC-5dqpA:
2.5		 2x2iC-5dqpA:
16.89
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.
3A3Y_A_OBNA6000_1
(NA, K-ATPASE ALPHA
SUBUNIT)		 2gou OXIDOREDUCTASE,
FMN-BINDING
(Shewanella
oneidensis) 		5 / 10 GLU A  57
GLY A  67
VAL A 145
PHE A 132
PHE A 350
 None
None
None
None
PE4  A4124 (-4.2A)
 1.29A 3a3yA-2gouA:
undetectable		 3a3yA-2gouA:
16.81
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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 3ebw PER A 4 ALLERGEN
(Periplaneta
americana) 		5 / 12 TYR A  97
TYR A  20
ILE A  85
ALA A 126
SER A 108
 PE4  A5747 (-3.5A)
None
PE4  A5747 (-4.4A)
None
None
 1.46A 3apwA-3ebwA:
14.0		 3apwA-3ebwA:
22.93
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.
3BJW_B_SVRB501_2
(PHOSPHOLIPASE A2)		 6ce2 -
(-) 		5 / 11 LEU A   5
GLY A   6
LYS A  16
PRO A  18
SER A  21
 PE4  A 201 ( 4.7A)
PE4  A 201 (-3.3A)
None
PE4  A 201 (-4.6A)
None
 0.70A 3bjwB-6ce2A:
20.6		 3bjwB-6ce2A:
undetectable
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.
3BJW_C_SVRC505_1
(PHOSPHOLIPASE A2)		 6ce2 -
(-) 		5 / 10 VAL A   3
GLU A   4
GLY A   6
LYS A  69
ARG A  72
 None
None
PE4  A 201 (-3.3A)
None
None
 1.21A 3bjwD-6ce2A:
20.1		 3bjwD-6ce2A:
undetectable
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.
3BJW_C_SVRC505_1
(PHOSPHOLIPASE A2)		 6ce2 -
(-) 		5 / 10 VAL A   3
GLU A   4
GLY A   6
PRO A  18
ARG A  72
 None
None
PE4  A 201 (-3.3A)
PE4  A 201 (-4.6A)
None
 1.14A 3bjwD-6ce2A:
20.1		 3bjwD-6ce2A:
undetectable
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.
3BJW_C_SVRC507_1
(PHOSPHOLIPASE A2)		 6ce2 -
(-) 		4 / 7 VAL A   3
GLY A   6
PRO A  18
ARG A  72
 None
PE4  A 201 (-3.3A)
PE4  A 201 (-4.6A)
None
 0.76A 3bjwC-6ce2A:
20.0		 3bjwC-6ce2A:
undetectable
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.
3BJW_E_SVRE503_1
(PHOSPHOLIPASE A2)		 6ce2 -
(-) 		5 / 11 LEU A   5
GLY A   6
LYS A  16
PRO A  18
SER A  21
 PE4  A 201 ( 4.7A)
PE4  A 201 (-3.3A)
None
PE4  A 201 (-4.6A)
None
 0.64A 3bjwE-6ce2A:
20.7		 3bjwE-6ce2A:
undetectable
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.
3BJW_F_SVRF502_3
(PHOSPHOLIPASE A2)		 6ce2 -
(-) 		5 / 12 LEU A   5
GLY A   6
LYS A  16
PRO A  18
SER A  21
 PE4  A 201 ( 4.7A)
PE4  A 201 (-3.3A)
None
PE4  A 201 (-4.6A)
None
 0.64A 3bjwF-6ce2A:
20.8		 3bjwF-6ce2A:
undetectable
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.
3BJW_G_SVRG506_1
(PHOSPHOLIPASE A2)		 6ce2 -
(-) 		5 / 8 GLY A   6
LYS A   7
PRO A  18
LYS A  69
ARG A  72
 PE4  A 201 (-3.3A)
None
PE4  A 201 (-4.6A)
None
None
 1.12A 3bjwA-6ce2A:
20.2		 3bjwA-6ce2A:
undetectable
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.
3BJW_G_SVRG506_1
(PHOSPHOLIPASE A2)		 6ce2 -
(-) 		4 / 8 VAL A   3
GLY A   6
PRO A  18
ARG A  72
 None
PE4  A 201 (-3.3A)
PE4  A 201 (-4.6A)
None
 0.76A 3bjwA-6ce2A:
20.2		 3bjwA-6ce2A:
undetectable
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.
3BJW_H_SVRH504_3
(PHOSPHOLIPASE A2)		 6ce2 -
(-) 		5 / 11 LEU A   5
GLY A   6
LYS A  16
PRO A  18
SER A  21
 PE4  A 201 ( 4.7A)
PE4  A 201 (-3.3A)
None
PE4  A 201 (-4.6A)
None
 0.72A 3bjwH-6ce2A:
20.5		 3bjwH-6ce2A:
undetectable
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_L_TFPL201_1
(PROTEIN S100-A4)		 4h41 PUTATIVE
ALPHA-L-FUCOSIDASE
(Bacteroides
thetaiotaomicron) 		4 / 7 GLY A 198
CYH A 266
PHE A 220
PHE A 203
 PE4  A 405 ( 3.1A)
None
None
None
 1.04A 3ko0L-4h41A:
undetectable
3ko0N-4h41A:
undetectable		 3ko0L-4h41A:
16.76
3ko0N-4h41A:
16.76
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.
3KO0_S_TFPS201_1
(PROTEIN S100-A4)		 4h41 PUTATIVE
ALPHA-L-FUCOSIDASE
(Bacteroides
thetaiotaomicron) 		4 / 7 PHE A 203
GLY A 198
CYH A 266
PHE A 220
 None
PE4  A 405 ( 3.1A)
None
None
 1.12A 3ko0K-4h41A:
undetectable
3ko0S-4h41A:
undetectable		 3ko0K-4h41A:
16.76
3ko0S-4h41A:
16.76
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.
3N62_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)		 5v8c TRANSCRIPTIONAL
REGULATOR
(Actinomyces
oris) 		3 / 3 GLY A 317
TRP A 100
VAL A 135
 PE4  A 403 ( 3.9A)
None
None
 0.71A 3n62B-5v8cA:
undetectable		 3n62B-5v8cA:
undetectable
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.
3N65_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)		 5v8c TRANSCRIPTIONAL
REGULATOR
(Actinomyces
oris) 		3 / 3 GLY A 317
TRP A 100
VAL A 135
 PE4  A 403 ( 3.9A)
None
None
 0.70A 3n65B-5v8cA:
undetectable		 3n65B-5v8cA:
undetectable
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.
3N66_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)		 5v8c TRANSCRIPTIONAL
REGULATOR
(Actinomyces
oris) 		3 / 3 GLY A 317
TRP A 100
VAL A 135
 PE4  A 403 ( 3.9A)
None
None
 0.69A 3n66B-5v8cA:
undetectable		 3n66B-5v8cA:
undetectable
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.
3U9F_E_CLME221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 2gou OXIDOREDUCTASE,
FMN-BINDING
(Shewanella
oneidensis) 		5 / 10 THR A  26
PHE A 350
SER A  28
VAL A 145
VAL A 104
 PE4  A4124 ( 3.7A)
PE4  A4124 (-4.2A)
None
None
None
 1.45A 3u9fE-2gouA:
undetectable		 3u9fE-2gouA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9F_N_CLMN221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 2gou OXIDOREDUCTASE,
FMN-BINDING
(Shewanella
oneidensis) 		5 / 11 THR A  26
PHE A 350
SER A  28
VAL A 145
VAL A 104
 PE4  A4124 ( 3.7A)
PE4  A4124 (-4.2A)
None
None
None
 1.47A 3u9fN-2gouA:
undetectable
3u9fO-2gouA:
undetectable		 3u9fN-2gouA:
19.09
3u9fO-2gouA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9F_P_CLMP221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 2gou OXIDOREDUCTASE,
FMN-BINDING
(Shewanella
oneidensis) 		5 / 9 THR A  26
PHE A 350
SER A  28
VAL A 145
VAL A 104
 PE4  A4124 ( 3.7A)
PE4  A4124 (-4.2A)
None
None
None
 1.45A 3u9fP-2gouA:
undetectable		 3u9fP-2gouA:
19.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A3U_A_NCAA1359_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		 2gou OXIDOREDUCTASE,
FMN-BINDING
(Shewanella
oneidensis) 		5 / 7 THR A  26
TRP A 102
HIS A 181
ASN A 184
TYR A 186
 PE4  A4124 ( 3.7A)
None
FMN  A4401 (-3.4A)
FMN  A4401 (-4.6A)
None
 0.29A 4a3uA-2gouA:
56.0		 4a3uA-2gouA:
43.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A3U_B_NCAB1359_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		 2gou OXIDOREDUCTASE,
FMN-BINDING
(Shewanella
oneidensis) 		5 / 7 THR A  26
TRP A 102
HIS A 181
ASN A 184
TYR A 186
 PE4  A4124 ( 3.7A)
None
FMN  A4401 (-3.4A)
FMN  A4401 (-4.6A)
None
 0.32A 4a3uB-2gouA:
55.9		 4a3uB-2gouA:
43.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		 2gou OXIDOREDUCTASE,
FMN-BINDING
(Shewanella
oneidensis) 		6 / 7 THR A  26
TRP A 102
HIS A 181
ASN A 184
TYR A 186
PHE A 350
 PE4  A4124 ( 3.7A)
None
FMN  A4401 (-3.4A)
FMN  A4401 (-4.6A)
None
PE4  A4124 (-4.2A)
 0.24A 4awuA-2gouA:
67.2		 4awuA-2gouA:
99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AWU_A_4CHA503_0
(OXIDOREDUCTASE,
FMN-BINDING)		 2gou OXIDOREDUCTASE,
FMN-BINDING
(Shewanella
oneidensis) 		5 / 6 SER A  28
TYR A  68
TRP A  70
PHE A 142
PHE A 350
 None
PE4  A4124 (-3.8A)
None
None
PE4  A4124 (-4.2A)
 0.55A 4awuA-2gouA:
67.2		 4awuA-2gouA:
99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		 2gou OXIDOREDUCTASE,
FMN-BINDING
(Shewanella
oneidensis) 		4 / 6 THR A  26
TYR A  68
HIS A 181
TYR A 186
 PE4  A4124 ( 3.7A)
PE4  A4124 (-3.8A)
FMN  A4401 (-3.4A)
None
 0.82A 4df2A-2gouA:
46.9		 4df2A-2gouA:
33.41
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.
4YV5_A_SVRA205_2
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 6ce2 -
(-) 		5 / 6 LYS A   7
LEU A  10
ASN A  17
PRO A  18
ARG A  72
 None
None
None
PE4  A 201 (-4.6A)
None
 0.34A 4yv5B-6ce2A:
24.3		 4yv5B-6ce2A:
undetectable
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.
4YV5_B_SVRB207_1
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 6ce2 -
(-) 		5 / 6 LYS A   7
LEU A  10
ASN A  17
PRO A  18
ARG A  72
 None
None
None
PE4  A 201 (-4.6A)
None
 0.37A 4yv5A-6ce2A:
24.4		 4yv5A-6ce2A:
undetectable
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.
5ECL_A_ILEA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 3gk6 INTEGRON CASSETTE
PROTEIN VCH_CASS2
(Vibrio
cholerae) 		4 / 6 ALA A  71
VAL A  69
TYR A  56
VAL A 107
 None
None
None
PE4  A6061 (-4.6A)
 0.93A 5eclA-3gk6A:
undetectable		 5eclA-3gk6A:
15.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V4V_A_NCAA402_0
(NADPH DEHYDROGENASE
3)		 2gou OXIDOREDUCTASE,
FMN-BINDING
(Shewanella
oneidensis) 		5 / 8 THR A  26
TRP A 102
HIS A 181
ASN A 184
TYR A 186
 PE4  A4124 ( 3.7A)
None
FMN  A4401 (-3.4A)
FMN  A4401 (-4.6A)
None
 0.28A 5v4vA-2gouA:
49.5		 5v4vA-2gouA:
39.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V4V_B_NCAB402_0
(NADPH DEHYDROGENASE
3)		 2gou OXIDOREDUCTASE,
FMN-BINDING
(Shewanella
oneidensis) 		5 / 8 THR A  26
TRP A 102
HIS A 181
ASN A 184
TYR A 186
 PE4  A4124 ( 3.7A)
None
FMN  A4401 (-3.4A)
FMN  A4401 (-4.6A)
None
 0.26A 5v4vB-2gouA:
49.5		 5v4vB-2gouA:
39.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUO_B_ACTB804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5v8c TRANSCRIPTIONAL
REGULATOR
(Actinomyces
oris) 		3 / 3 GLY A 317
TRP A 100
VAL A 135
 PE4  A 403 ( 3.9A)
None
None
 0.70A 5vuoB-5v8cA:
undetectable		 5vuoB-5v8cA:
undetectable
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		 2g80 PROTEIN UTR4
(Saccharomyces
cerevisiae) 		3 / 3 ALA A 218
VAL A 114
TYR A 115
 None
PE4  A 501 (-4.4A)
PE4  A 501 (-4.4A)
 0.68A 5zmqH-2g80A:
undetectable		 5zmqH-2g80A:
21.76