SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'ALY'


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.
1CEB_B_AMHB90_1
(PLASMINOGEN)		 5ezt CARBONIC ANHYDRASE 2
(Bos
taurus) 		4 / 7 ASP X  31
ASP X  33
TYR X 192
ARG X 252
 None
ALY  X  35 ( 4.1A)
None
None
 1.28A 1cebB-5eztX:
undetectable		 1cebB-5eztX:
16.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5ezt CARBONIC ANHYDRASE 2
(Bos
taurus) 		5 / 12 TYR X  50
ILE X 214
ALA X  47
GLY X 143
HIS X 121
 None
None
ALY  X  79 ( 3.4A)
None
None
 0.99A 1kiaA-5eztX:
undetectable		 1kiaA-5eztX:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5ezt CARBONIC ANHYDRASE 2
(Bos
taurus) 		5 / 12 TYR X  50
ILE X 214
ALA X  47
GLY X 143
HIS X 121
 None
None
ALY  X  79 ( 3.4A)
None
None
 1.00A 1kiaB-5eztX:
undetectable		 1kiaB-5eztX:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5ezt CARBONIC ANHYDRASE 2
(Bos
taurus) 		5 / 12 TYR X  50
ILE X 214
ALA X  47
GLY X 143
HIS X 121
 None
None
ALY  X  79 ( 3.4A)
None
None
 0.99A 1kiaC-5eztX:
undetectable		 1kiaC-5eztX:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KT4_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 5ezt CARBONIC ANHYDRASE 2
(Bos
taurus) 		5 / 12 LEU X  78
LEU X 119
ALA X 154
VAL X 142
TYR X  69
 ALY  X  79 ( 3.6A)
None
ALY  X 157 ( 3.2A)
None
None
 1.08A 1kt4A-5eztX:
undetectable		 1kt4A-5eztX:
23.40
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.
1MZ9_D_VDYD1001_4
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 5ee5 BREFELDIN
A-INHIBITED GUANINE
NUCLEOTIDE-EXCHANGE
PROTEIN 1
(Homo
sapiens) 		4 / 4 THR A 199
LEU A 202
VAL A 175
LEU A 172
 ALY  A 195 ( 3.5A)
CL  A 308 (-4.0A)
None
None
 0.91A 1mz9D-5ee5A:
undetectable		 1mz9D-5ee5A:
13.85
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.
1NBH_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5ezt CARBONIC ANHYDRASE 2
(Bos
taurus) 		5 / 12 TYR X  50
ILE X 214
ALA X  47
GLY X 143
HIS X 121
 None
None
ALY  X  79 ( 3.4A)
None
None
 1.00A 1nbhB-5eztX:
undetectable		 1nbhB-5eztX:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PJ7_A_FFOA2887_1
(N,N-DIMETHYLGLYCINE
OXIDASE)		 2ozu HISTONE
ACETYLTRANSFERASE
MYST3
(Homo
sapiens) 		3 / 3 ASP A 609
THR A 605
GLU A 680
 None
ALY  A 604 ( 3.9A)
None
 0.44A 1pj7A-2ozuA:
undetectable		 1pj7A-2ozuA:
15.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RJ6_B_AZMB401_1
(CARBONIC ANHYDRASE
XIV)		 5ezt CARBONIC ANHYDRASE 2
(Bos
taurus) 		5 / 10 HIS X  93
HIS X 118
VAL X 142
LEU X  78
TRP X 207
 ZN  X 301 (-3.2A)
ZN  X 301 (-3.1A)
None
ALY  X  79 ( 3.6A)
None
 1.30A 1rj6B-5eztX:
36.8		 1rj6B-5eztX:
35.98
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.
1RV7_B_AB1B1001_1
(PROTEASE)		 5ghc SMALL
UBIQUITIN-RELATED
MODIFIER 2
(Homo
sapiens) 		5 / 11 ILE A  34
THR A  12
THR A  72
PRO A  73
ALA A  74
 ALY  A  33 ( 3.8A)
None
None
None
None
 1.12A 1rv7A-5ghcA:
undetectable
1rv7B-5ghcA:
undetectable		 1rv7A-5ghcA:
19.13
1rv7B-5ghcA:
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.
1S9P_C_DESC500_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 2y0m PROBABLE HISTONE
ACETYLTRANSFERASE
MYST1
(Homo
sapiens) 		5 / 12 LEU A 263
CYH A 264
LEU A 266
ALA A 267
LEU A 318
 None
ALY  A 274 ( 3.4A)
None
ALY  A 274 ( 4.0A)
ACO  A1450 (-4.2A)
 0.81A 1s9pC-2y0mA:
undetectable		 1s9pC-2y0mA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IDW_B_017B401_1
(PROTEASE)		 4q6g PYRROLYSINE--TRNA
LIGASE
(Methanosarcina
mazei) 		5 / 11 ASP A 408
ILE A 305
GLY A 419
ILE A 418
ILE A 413
 None
ALY  A 508 ( 4.6A)
ALY  A 508 ( 4.3A)
None
EDO  A 506 ( 4.7A)
 1.14A 2idwA-4q6gA:
undetectable		 2idwA-4q6gA:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QWX_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4q6g PYRROLYSINE--TRNA
LIGASE
(Methanosarcina
mazei) 		4 / 8 PHE A 306
ILE A 413
PHE A 348
GLY A 403
 ALY  A 508 ( 4.8A)
EDO  A 506 ( 4.7A)
ALY  A 508 (-4.9A)
None
 0.88A 2qwxA-4q6gA:
undetectable
2qwxB-4q6gA:
undetectable		 2qwxA-4q6gA:
22.14
2qwxB-4q6gA:
22.14
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.
2R5Q_B_1UNB900_1
(PROTEASE)		 4q6g PYRROLYSINE--TRNA
LIGASE
(Methanosarcina
mazei) 		5 / 9 ASP A 408
ILE A 305
GLY A 419
ILE A 418
ILE A 413
 None
ALY  A 508 ( 4.6A)
ALY  A 508 ( 4.3A)
None
EDO  A 506 ( 4.7A)
 1.10A 2r5qA-4q6gA:
undetectable		 2r5qA-4q6gA:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2R5Q_D_1UND900_1
(PROTEASE)		 4q6g PYRROLYSINE--TRNA
LIGASE
(Methanosarcina
mazei) 		5 / 9 ASP A 408
ILE A 305
GLY A 419
ILE A 418
ILE A 413
 None
ALY  A 508 ( 4.6A)
ALY  A 508 ( 4.3A)
None
EDO  A 506 ( 4.7A)
 1.10A 2r5qC-4q6gA:
undetectable		 2r5qC-4q6gA:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZB8_A_IMNA800_1
(PROSTAGLANDIN
REDUCTASE 2)		 2ou2 HISTONE
ACETYLTRANSFERASE
HTATIP
(Homo
sapiens) 		5 / 9 TYR A 302
THR A 281
PHE A 271
LEU A 215
LEU A 267
 ALY  A 275 ( 4.8A)
None
None
None
None
 1.50A 2zb8A-2ou2A:
0.0		 2zb8A-2ou2A:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D1Z_B_017B201_1
(HIV-1 PROTEASE)		 4q6g PYRROLYSINE--TRNA
LIGASE
(Methanosarcina
mazei) 		5 / 12 ASP A 408
ILE A 305
GLY A 419
ILE A 418
ILE A 413
 None
ALY  A 508 ( 4.6A)
ALY  A 508 ( 4.3A)
None
EDO  A 506 ( 4.7A)
 0.99A 3d1zA-4q6gA:
undetectable		 3d1zA-4q6gA:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKY_A_DR7A100_2
(PROTEASE)		 4q6g PYRROLYSINE--TRNA
LIGASE
(Methanosarcina
mazei) 		5 / 9 ASP A 408
ILE A 305
GLY A 419
ILE A 418
ILE A 413
 None
ALY  A 508 ( 4.6A)
ALY  A 508 ( 4.3A)
None
EDO  A 506 ( 4.7A)
 1.24A 3ekyB-4q6gA:
undetectable		 3ekyB-4q6gA:
15.13
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.
3FRQ_B_ERYB195_0
(REPRESSOR PROTEIN
MPHR(A))		 4q6g PYRROLYSINE--TRNA
LIGASE
(Methanosarcina
mazei) 		5 / 12 GLY A 421
LEU A 284
ILE A 305
VAL A 383
ILE A 278
 ANP  A 501 (-4.8A)
None
ALY  A 508 ( 4.6A)
None
None
 1.04A 3frqB-4q6gA:
undetectable		 3frqB-4q6gA:
19.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HS4_A_AZMA702_1
(CARBONIC ANHYDRASE 2)		 5ezt CARBONIC ANHYDRASE 2
(Bos
taurus) 		4 / 7 VAL X 108
TYR X 113
TRP X 190
PRO X 213
 ALY  X 111 ( 4.6A)
ALY  X 111 ( 3.6A)
ALY  X 211 ( 3.8A)
ALY  X 147 ( 3.8A)
 0.31A 3hs4A-5eztX:
44.6		 3hs4A-5eztX:
80.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HS4_A_AZMA703_1
(CARBONIC ANHYDRASE 2)		 5ezt CARBONIC ANHYDRASE 2
(Bos
taurus) 		4 / 5 TRP X   4
HIS X  14
TRP X  15
ASP X  18
 None
ALY  X  17 ( 4.0A)
None
ALY  X  17 ( 4.2A)
 0.41A 3hs4A-5eztX:
44.6		 3hs4A-5eztX:
80.16
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.
3NDU_D_ROCD100_1
(PROTEASE)		 5ezt CARBONIC ANHYDRASE 2
(Bos
taurus) 		5 / 12 GLY X 256
VAL X 108
ILE X 208
VAL X  30
ILE X  32
 ALY  X 259 ( 3.2A)
ALY  X 111 ( 4.6A)
None
None
None
 0.98A 3nduC-5eztX:
undetectable		 3nduC-5eztX:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDW_A_RITA100_2
(PROTEASE)		 4q6g PYRROLYSINE--TRNA
LIGASE
(Methanosarcina
mazei) 		5 / 9 ASP A 408
ILE A 305
GLY A 419
ILE A 418
ILE A 413
 None
ALY  A 508 ( 4.6A)
ALY  A 508 ( 4.3A)
None
EDO  A 506 ( 4.7A)
 1.10A 3ndwB-4q6gA:
undetectable		 3ndwB-4q6gA:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU3_B_478B401_1
(PROTEASE)		 4q6g PYRROLYSINE--TRNA
LIGASE
(Methanosarcina
mazei) 		5 / 12 ASP A 408
ILE A 305
GLY A 419
ILE A 418
ILE A 413
 None
ALY  A 508 ( 4.6A)
ALY  A 508 ( 4.3A)
None
EDO  A 506 ( 4.7A)
 1.01A 3nu3A-4q6gA:
undetectable		 3nu3A-4q6gA:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU6_B_478B401_1
(PROTEASE)		 4q6g PYRROLYSINE--TRNA
LIGASE
(Methanosarcina
mazei) 		5 / 10 ASP A 408
ILE A 305
GLY A 419
ILE A 418
ILE A 413
 None
ALY  A 508 ( 4.6A)
ALY  A 508 ( 4.3A)
None
EDO  A 506 ( 4.7A)
 1.00A 3nu6A-4q6gA:
undetectable		 3nu6A-4q6gA:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NUO_B_478B478_1
(PROTEASE)		 4q6g PYRROLYSINE--TRNA
LIGASE
(Methanosarcina
mazei) 		5 / 9 ASP A 408
ILE A 305
GLY A 419
ILE A 418
ILE A 413
 None
ALY  A 508 ( 4.6A)
ALY  A 508 ( 4.3A)
None
EDO  A 506 ( 4.7A)
 1.03A 3nuoA-4q6gA:
undetectable		 3nuoA-4q6gA:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXC_A_ROCA401_1
(PROTEASE)		 5ezt CARBONIC ANHYDRASE 2
(Bos
taurus) 		5 / 12 GLY X 256
VAL X 108
ILE X 208
VAL X  30
ILE X  32
 ALY  X 259 ( 3.2A)
ALY  X 111 ( 4.6A)
None
None
None
 0.95A 3oxcA-5eztX:
undetectable		 3oxcA-5eztX:
19.72
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.
3PHN_A_ACTA108_0
(PROTEIN P-30)		 5ezt CARBONIC ANHYDRASE 2
(Bos
taurus) 		3 / 3 THR X  54
SER X  55
ARG X  56
 ALY  X  75 ( 3.8A)
None
ALY  X  75 ( 4.0A)
 0.81A 3phnA-5eztX:
undetectable		 3phnA-5eztX:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQC_A_017A101_1
(ASPARTYL PROTEASE)		 5ezt CARBONIC ANHYDRASE 2
(Bos
taurus) 		5 / 10 ARG X 252
VAL X 108
GLY X 143
VAL X  30
ILE X  32
 None
ALY  X 111 ( 4.6A)
None
None
None
 1.10A 4dqcA-5eztX:
undetectable		 4dqcA-5eztX:
19.72
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.
4JEC_B_478B401_2
(HIV-1 PROTEASE)		 4q6g PYRROLYSINE--TRNA
LIGASE
(Methanosarcina
mazei) 		5 / 12 ASP A 408
ILE A 305
GLY A 419
ILE A 418
ILE A 413
 None
ALY  A 508 ( 4.6A)
ALY  A 508 ( 4.3A)
None
EDO  A 506 ( 4.7A)
 1.03A 4jecB-4q6gA:
undetectable		 4jecB-4q6gA:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LL3_A_017A202_2
(PROTEASE)		 5ezt CARBONIC ANHYDRASE 2
(Bos
taurus) 		5 / 9 ARG X 252
VAL X 108
GLY X 143
VAL X  30
ILE X  32
 None
ALY  X 111 ( 4.6A)
None
None
None
 1.24A 4ll3B-5eztX:
undetectable		 4ll3B-5eztX:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QOG_A_ML1A302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4q6g PYRROLYSINE--TRNA
LIGASE
(Methanosarcina
mazei) 		4 / 8 PHE A 306
ILE A 413
PHE A 348
GLY A 403
 ALY  A 508 ( 4.8A)
EDO  A 506 ( 4.7A)
ALY  A 508 (-4.9A)
None
 0.88A 4qogA-4q6gA:
undetectable
4qogB-4q6gA:
undetectable		 4qogA-4q6gA:
22.14
4qogB-4q6gA:
22.14
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.
5FA8_A_SAMA301_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)		 2x25 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
A
(Homo
sapiens) 		5 / 12 GLY B 109
ILE B  78
ASN B 102
PHE B  36
LEU B  98
 None
None
ALY  B 125 ( 3.4A)
None
None
 1.02A 5fa8A-2x25B:
undetectable		 5fa8A-2x25B:
21.26
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.
5KQY_B_017B101_1
(PROTEASE E35D-DRV)		 5ezt CARBONIC ANHYDRASE 2
(Bos
taurus) 		5 / 12 ARG X 252
VAL X 108
GLY X 143
VAL X  30
ILE X  32
 None
ALY  X 111 ( 4.6A)
None
None
None
 1.04A 5kqyA-5eztX:
undetectable		 5kqyA-5eztX:
18.81
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.
5L1F_C_6ZPC902_1
(GLUTAMATE RECEPTOR 2)		 2r0v CHROMATIN
STRUCTURE-REMODELING
COMPLEX PROTEIN RSC4
(Saccharomyces
cerevisiae) 		4 / 7 PRO A  84
PHE A  80
SER A 138
ASN A 134
 ALY  A  25 ( 4.2A)
None
None
ALY  A  25 ( 3.3A)
 1.06A 5l1fC-2r0vA:
undetectable		 5l1fC-2r0vA:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)		 3to9 HISTONE
ACETYLTRANSFERASE
ESA1
(Saccharomyces
cerevisiae) 		4 / 7 ILE A 239
PHE A 273
TRP A 247
SER A 255
 None
None
None
ALY  A 262 ( 3.7A)
 1.14A 5nr3A-3to9A:
undetectable		 5nr3A-3to9A:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_A_CUA602_0
(THIOCYANATE
DEHYDROGENASE)		 5ezt CARBONIC ANHYDRASE 2
(Bos
taurus) 		3 / 3 LYS X   9
HIS X   9
HIS X  14
 ALY  X   8 ( 3.5A)
ALY  X   8 ( 3.7A)
ALY  X  17 ( 4.0A)
 1.38A 5oexA-5eztX:
undetectable		 5oexA-5eztX:
20.09
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.
5OEX_B_CUB602_0
(THIOCYANATE
DEHYDROGENASE)		 2x25 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
A
(Homo
sapiens) 		3 / 3 LYS B 126
HIS B  92
HIS B 126
 ALY  B 125 ( 3.5A)
None
ALY  B 125 ( 3.6A)
 1.44A 5oexB-2x25B:
undetectable		 5oexB-2x25B:
14.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_B_CUB602_0
(THIOCYANATE
DEHYDROGENASE)		 5ezt CARBONIC ANHYDRASE 2
(Bos
taurus) 		3 / 3 LYS X   9
HIS X   9
HIS X  14
 ALY  X   8 ( 3.5A)
ALY  X   8 ( 3.7A)
ALY  X  17 ( 4.0A)
 1.40A 5oexB-5eztX:
undetectable		 5oexB-5eztX:
20.09
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.
5OEX_C_CUC603_0
(THIOCYANATE
DEHYDROGENASE)		 5ezt CARBONIC ANHYDRASE 2
(Bos
taurus) 		3 / 3 LYS X   9
HIS X   9
HIS X  14
 ALY  X   8 ( 3.5A)
ALY  X   8 ( 3.7A)
ALY  X  17 ( 4.0A)
 1.38A 5oexC-5eztX:
undetectable		 5oexC-5eztX:
20.09
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.
5OEX_D_CUD603_0
(THIOCYANATE
DEHYDROGENASE)		 5ezt CARBONIC ANHYDRASE 2
(Bos
taurus) 		3 / 3 LYS X   9
HIS X   9
HIS X  14
 ALY  X   8 ( 3.5A)
ALY  X   8 ( 3.7A)
ALY  X  17 ( 4.0A)
 1.38A 5oexD-5eztX:
undetectable		 5oexD-5eztX:
20.09
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.
5OV9_B_CVIB603_0
(ACETYLCHOLINESTERASE)		 1e0z FERREDOXIN
(Halobacterium
salinarum) 		4 / 7 GLN A  14
ASP A  13
HIS A 119
TYR A  57
 None
None
ALY  A 118 ( 3.5A)
None
 1.19A 5ov9B-1e0zA:
undetectable		 5ov9B-1e0zA:
12.97
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.
5X6Y_C_SAMC902_0
(MRNA CAPPING ENZYME
P5)		 2ou2 HISTONE
ACETYLTRANSFERASE
HTATIP
(Homo
sapiens) 		5 / 12 LEU A 272
TYR A 302
GLY A 301
ALA A 268
GLU A 291
 ALY  A 275 (-4.8A)
ALY  A 275 ( 4.8A)
None
ALY  A 275 ( 4.1A)
None
 1.25A 5x6yC-2ou2A:
undetectable		 5x6yC-2ou2A:
15.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X6Y_C_SAMC902_0
(MRNA CAPPING ENZYME
P5)		 2y0m PROBABLE HISTONE
ACETYLTRANSFERASE
MYST1
(Homo
sapiens) 		5 / 12 LEU A 271
TYR A 301
GLY A 300
ALA A 267
GLU A 290
 ALY  A 274 (-4.3A)
ALY  A 274 ( 4.8A)
None
ALY  A 274 ( 4.0A)
None
 1.04A 5x6yC-2y0mA:
undetectable		 5x6yC-2y0mA:
16.44
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.
5Y1Y_A_HNQA201_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 2r0v CHROMATIN
STRUCTURE-REMODELING
COMPLEX PROTEIN RSC4
(Saccharomyces
cerevisiae) 		4 / 8 CYH A 130
TYR A 133
ASN A 134
ILE A 140
 ALY  A  25 ( 3.9A)
ALY  A  25 ( 4.7A)
ALY  A  25 ( 3.3A)
ALY  A  25 ( 4.3A)
 0.42A 5y1yA-2r0vA:
12.9		 5y1yA-2r0vA:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YCN_A_8LXA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2x25 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
A
(Homo
sapiens) 		4 / 6 PHE B  60
CYH B 115
SER B  99
HIS B 126
 None
None
None
ALY  B 125 ( 3.6A)
 1.47A 5ycnA-2x25B:
0.0		 5ycnA-2x25B:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 5e2f BETA-LACTAMASE YBXI
(Bacillus
subtilis) 		6 / 12 SER A  76
SER A 124
LYS A 214
THR A 215
GLY A 216
THR A 217
 ALY  A  79 ( 2.4A)
EDO  A 303 (-3.0A)
EDO  A 303 ( 4.4A)
EDO  A 303 (-3.7A)
EDO  A 303 (-3.5A)
EDO  A 303 (-3.8A)
 0.81A 6b5yB-5e2fA:
17.6		 6b5yB-5e2fA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 5e2f BETA-LACTAMASE YBXI
(Bacillus
subtilis) 		6 / 12 SER A  76
SER A 124
LYS A 214
THR A 215
GLY A 216
THR A 217
 ALY  A  79 ( 2.4A)
EDO  A 303 (-3.0A)
EDO  A 303 ( 4.4A)
EDO  A 303 (-3.7A)
EDO  A 303 (-3.5A)
EDO  A 303 (-3.8A)
 0.80A 6b5yD-5e2fA:
17.3		 6b5yD-5e2fA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 5e2f BETA-LACTAMASE YBXI
(Bacillus
subtilis) 		5 / 12 SER A  76
LYS A 214
THR A 215
GLY A 216
THR A 217
 ALY  A  79 ( 2.4A)
EDO  A 303 ( 4.4A)
EDO  A 303 (-3.7A)
EDO  A 303 (-3.5A)
EDO  A 303 (-3.8A)
 0.19A 6b68B-5e2fA:
17.7		 6b68B-5e2fA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 5e2f BETA-LACTAMASE YBXI
(Bacillus
subtilis) 		6 / 12 SER A  76
SER A 124
LYS A 214
THR A 215
GLY A 216
THR A 217
 ALY  A  79 ( 2.4A)
EDO  A 303 (-3.0A)
EDO  A 303 ( 4.4A)
EDO  A 303 (-3.7A)
EDO  A 303 (-3.5A)
EDO  A 303 (-3.8A)
 0.71A 6b69A-5e2fA:
17.6
6b69B-5e2fA:
17.5		 6b69A-5e2fA:
14.07
6b69B-5e2fA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 5e2f BETA-LACTAMASE YBXI
(Bacillus
subtilis) 		6 / 12 SER A  76
SER A 124
LYS A 214
THR A 215
GLY A 216
THR A 217
 ALY  A  79 ( 2.4A)
EDO  A 303 (-3.0A)
EDO  A 303 ( 4.4A)
EDO  A 303 (-3.7A)
EDO  A 303 (-3.5A)
EDO  A 303 (-3.8A)
 0.72A 6b69D-5e2fA:
17.4		 6b69D-5e2fA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 5e2f BETA-LACTAMASE YBXI
(Bacillus
subtilis) 		5 / 12 SER A  76
LYS A 214
THR A 215
GLY A 216
THR A 217
 ALY  A  79 ( 2.4A)
EDO  A 303 ( 4.4A)
EDO  A 303 (-3.7A)
EDO  A 303 (-3.5A)
EDO  A 303 (-3.8A)
 0.19A 6b6aD-5e2fA:
17.6		 6b6aD-5e2fA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 5e2f BETA-LACTAMASE YBXI
(Bacillus
subtilis) 		5 / 12 SER A  76
LYS A 214
THR A 215
GLY A 216
THR A 217
 ALY  A  79 ( 2.4A)
EDO  A 303 ( 4.4A)
EDO  A 303 (-3.7A)
EDO  A 303 (-3.5A)
EDO  A 303 (-3.8A)
 0.31A 6b6cA-5e2fA:
17.6		 6b6cA-5e2fA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 5e2f BETA-LACTAMASE YBXI
(Bacillus
subtilis) 		6 / 12 SER A  76
SER A 124
LYS A 214
THR A 215
GLY A 216
THR A 217
 ALY  A  79 ( 2.4A)
EDO  A 303 (-3.0A)
EDO  A 303 ( 4.4A)
EDO  A 303 (-3.7A)
EDO  A 303 (-3.5A)
EDO  A 303 (-3.8A)
 0.74A 6b6eA-5e2fA:
17.7		 6b6eA-5e2fA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 5e2f BETA-LACTAMASE YBXI
(Bacillus
subtilis) 		5 / 12 SER A  76
LYS A 214
THR A 215
GLY A 216
THR A 217
 ALY  A  79 ( 2.4A)
EDO  A 303 ( 4.4A)
EDO  A 303 (-3.7A)
EDO  A 303 (-3.5A)
EDO  A 303 (-3.8A)
 0.32A 6b6fA-5e2fA:
17.3		 6b6fA-5e2fA:
14.07