SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3b8a'

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.
1CBS_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE II)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		5 / 12 PHE X  48
LEU X  52
THR X 305
VAL X 230
LEU X 280
 None
 1.00A 1cbsA-3b8aX:
undetectable		 1cbsA-3b8aX:
14.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UDU_A_CIAA1003_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		5 / 11 SER X 479
VAL X 206
ALA X 207
LEU X 480
ILE X 466
 None
 1.19A 1uduA-3b8aX:
undetectable		 1uduA-3b8aX:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UW6_A_NCTA1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		4 / 8 THR X 344
CYH X 385
TYR X 424
LEU X 314
 None
 1.30A 1uw6A-3b8aX:
undetectable
1uw6B-3b8aX:
undetectable		 1uw6A-3b8aX:
19.30
1uw6B-3b8aX:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FR3_A_REAA300_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
2)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		5 / 12 PHE X  48
LEU X  52
THR X 305
VAL X 230
LEU X 280
 None
 1.01A 2fr3A-3b8aX:
undetectable		 2fr3A-3b8aX:
14.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G78_A_REAA200_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		5 / 12 PHE X  48
LEU X  52
THR X 305
VAL X 230
LEU X 280
 None
 1.03A 2g78A-3b8aX:
undetectable		 2g78A-3b8aX:
14.50
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.
2OPX_A_DXCA1002_0
(ALDEHYDE
DEHYDROGENASE A)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		3 / 3 GLY X 177
ARG X 119
TYR X 308
 None
 0.79A 2opxA-3b8aX:
undetectable		 2opxA-3b8aX:
23.77
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.
2Q63_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		3 / 3 ARG X  93
ASN X 237
THR X 215
 None
BGC  X 501 (-3.8A)
None
 0.88A 2q63A-3b8aX:
undetectable		 2q63A-3b8aX:
13.08
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.
2Q64_B_1UNB1001_3
(PROTEASE RETROPEPSIN)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		6 / 12 ARG X 394
LEU X  41
GLY X 399
ALA X 401
ILE X 452
ILE X 438
 None
 1.22A 2q64B-3b8aX:
undetectable		 2q64B-3b8aX:
12.87
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.
2V0M_B_KLNB1499_1
(CYTOCHROME P450 3A4)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		4 / 7 SER X 470
THR X 222
ILE X 166
GLY X 458
 None
 0.83A 2v0mB-3b8aX:
undetectable		 2v0mB-3b8aX:
22.02
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.
2W3M_A_FOLA1188_0
(DIHYDROFOLATE
REDUCTASE)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		5 / 12 ALA X 161
LEU X 208
GLN X 124
ILE X 131
LEU X 127
 None
 1.10A 2w3mA-3b8aX:
undetectable		 2w3mA-3b8aX:
17.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XZ5_C_ACHC1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		4 / 8 ILE X 414
TYR X 270
VAL X 397
CYH X 404
 None
 1.29A 2xz5A-3b8aX:
undetectable
2xz5C-3b8aX:
undetectable		 2xz5A-3b8aX:
20.05
2xz5C-3b8aX:
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.
2XZ5_D_ACHD1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		4 / 8 ILE X 414
TYR X 270
VAL X 397
CYH X 404
 None
 1.30A 2xz5C-3b8aX:
undetectable
2xz5D-3b8aX:
undetectable		 2xz5C-3b8aX:
20.05
2xz5D-3b8aX:
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.
2XZ5_E_ACHE1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		4 / 7 ILE X 414
TYR X 270
VAL X 397
CYH X 404
 None
 1.30A 2xz5D-3b8aX:
undetectable
2xz5E-3b8aX:
undetectable		 2xz5D-3b8aX:
20.05
2xz5E-3b8aX:
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.
3BVB_B_017B401_1
(PROTEASE
(RETROPEPSIN))		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		6 / 12 ARG X 394
LEU X  41
GLY X 399
ALA X 401
ILE X 450
ILE X 438
 None
 1.43A 3bvbA-3b8aX:
undetectable		 3bvbA-3b8aX:
11.11
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		5 / 10 VAL X  95
VAL X  97
LEU X  99
GLY X 460
GLY X 462
 None
 1.09A 3ls4H-3b8aX:
undetectable		 3ls4H-3b8aX:
18.14
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.
3ONN_A_ACTA271_0
(PROTEIN SSM1)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		4 / 5 GLY X  55
LYS X  54
GLU X  51
GLY X  60
 None
 0.66A 3onnA-3b8aX:
undetectable		 3onnA-3b8aX:
21.15
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.
3S54_B_017B201_1
(PROTEASE)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		6 / 12 ARG X 394
LEU X  41
GLY X 399
ALA X 401
ILE X 452
ILE X 438
 None
 1.31A 3s54A-3b8aX:
undetectable		 3s54A-3b8aX:
12.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TNE_B_RITB401_2
(SECRETED ASPARTIC
PROTEASE)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		4 / 7 TYR X 309
VAL X 289
THR X 344
TYR X 424
 None
 0.93A 3tneB-3b8aX:
undetectable		 3tneB-3b8aX:
20.55
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.
3W68_C_VIVC301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		5 / 12 ILE X 403
VAL X  36
ILE X  63
VAL X 279
LEU X 280
 None
 1.25A 3w68C-3b8aX:
undetectable		 3w68C-3b8aX:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		4 / 8 TYR X 270
VAL X 397
CYH X 404
ILE X 414
 None
 1.27A 4bqtC-3b8aX:
undetectable
4bqtD-3b8aX:
undetectable		 4bqtC-3b8aX:
20.05
4bqtD-3b8aX:
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		4 / 8 TYR X 270
VAL X 397
CYH X 404
ILE X 414
 None
 1.27A 4bqtC-3b8aX:
undetectable
4bqtD-3b8aX:
undetectable		 4bqtC-3b8aX:
20.05
4bqtD-3b8aX:
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.
4F5Z_A_BEZA302_0
(HALOALKANE
DEHALOGENASE)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		4 / 8 PHE X 232
VAL X 230
LEU X 435
TYR X 270
 None
 0.92A 4f5zA-3b8aX:
undetectable		 4f5zA-3b8aX:
22.06
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.
4K0B_B_SAMB504_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		4 / 8 ASN X 237
ASP X  86
ASN X 210
ILE X 209
 BGC  X 501 (-3.8A)
None
BGC  X 501 (-3.2A)
None
 0.87A 4k0bA-3b8aX:
undetectable		 4k0bA-3b8aX:
22.37
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.
4KEB_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		5 / 12 ALA X 161
LEU X 208
GLN X 124
ILE X 131
LEU X 127
 None
 1.14A 4kebB-3b8aX:
undetectable		 4kebB-3b8aX:
17.65
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.
4KLR_A_CHDA505_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		4 / 5 LEU X 314
LEU X 384
ILE X 388
ARG X 391
 None
 1.07A 4klrA-3b8aX:
undetectable		 4klrA-3b8aX:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L7I_B_SAMB501_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		4 / 8 ASN X 237
ASP X  86
ASN X 210
ILE X 209
 BGC  X 501 (-3.8A)
None
BGC  X 501 (-3.2A)
None
 0.87A 4l7iA-3b8aX:
undetectable		 4l7iA-3b8aX:
22.37
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.
4PCL_A_SAMA301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		5 / 12 LEU X 313
GLY X 389
CYH X 385
GLU X 429
ALA X 430
 None
 0.99A 4pclA-3b8aX:
undetectable		 4pclA-3b8aX:
18.09
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.
4U15_A_0HKA2001_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		3 / 3 ASN X 210
PHE X 240
TYR X 241
 BGC  X 501 (-3.2A)
None
None
 0.89A 4u15A-3b8aX:
undetectable		 4u15A-3b8aX:
21.72
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.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		5 / 9 SER X 219
GLY X 214
ALA X 265
VAL X 213
ILE X 209
 None
 1.46A 5i3cA-3b8aX:
undetectable		 5i3cA-3b8aX:
20.08
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.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		6 / 12 ILE X 452
ALA X 432
GLY X 418
PHE X 232
GLY X 229
VAL X 230
 None
None
SO4  X 502 ( 3.8A)
None
None
None
 1.43A 5i73A-3b8aX:
undetectable		 5i73A-3b8aX:
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.
5IGP_A_ERYA402_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		5 / 12 ALA X 392
ALA X 393
VAL X 397
GLY X 307
THR X 344
 None
 1.19A 5igpA-3b8aX:
undetectable		 5igpA-3b8aX:
21.07
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.
5MVM_B_PFLB510_1
(PROTON-GATED ION
CHANNEL)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		4 / 6 ILE X 196
ALA X 132
LEU X 135
ILE X  85
 None
 0.80A 5mvmB-3b8aX:
undetectable
5mvmC-3b8aX:
undetectable		 5mvmB-3b8aX:
10.55
5mvmC-3b8aX:
10.55
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.
5W8A_A_SAMA300_0
(AUTOINDUCER SYNTHASE)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		5 / 12 LEU X 358
MET X  16
VAL X  19
ILE X  27
GLU X 377
 None
 1.20A 5w8aA-3b8aX:
undetectable		 5w8aA-3b8aX:
18.44