SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2ayi'

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.
1JOM_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		5 / 11 ALA A 342
ASP A 339
PHE A 333
ILE A 173
LEU A 169
 None
 1.26A 1jomA-2ayiA:
undetectable		 1jomA-2ayiA:
18.32
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.
1LHV_A_NOGA301_1
(SEX HORMONE-BINDING
GLOBULIN)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		4 / 8 THR A 307
ASP A 308
PHE A 348
LEU A 272
 None
 1.11A 1lhvA-2ayiA:
undetectable		 1lhvA-2ayiA:
18.98
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.
1S9P_B_DESB459_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		5 / 12 LEU A  20
CYH A 242
LEU A 241
ALA A 233
LEU A  14
 None
 1.26A 1s9pB-2ayiA:
undetectable		 1s9pB-2ayiA:
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.
2DTT_C_H4BC1002_1
(HYPOTHETICAL PROTEIN
PH0634)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		4 / 6 TYR A 352
PHE A 252
GLU A 354
GLU A 250
 None
ZN  A 501 ( 4.8A)
None
ZN  A 501 (-2.3A)
 1.38A 2dttB-2ayiA:
undetectable
2dttC-2ayiA:
undetectable		 2dttB-2ayiA:
14.04
2dttC-2ayiA:
14.04
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.
3LXE_A_TORA262_1
(CARBONIC ANHYDRASE 1)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		5 / 12 HIS A 376
HIS A 345
PHE A 212
VAL A 264
LEU A 314
 ZN  A 500 (-3.9A)
ZN  A 501 (-3.9A)
None
None
None
 1.50A 3lxeA-2ayiA:
undetectable		 3lxeA-2ayiA:
21.08
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.
3LXE_B_TORB262_1
(CARBONIC ANHYDRASE 1)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		5 / 12 HIS A 376
HIS A 345
PHE A 212
VAL A 264
LEU A 314
 ZN  A 500 (-3.9A)
ZN  A 501 (-3.9A)
None
None
None
 1.49A 3lxeB-2ayiA:
undetectable		 3lxeB-2ayiA:
21.08
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.
3NHX_A_ASDA126_1
(STEROID
DELTA-ISOMERASE)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		5 / 12 LEU A 169
PHE A 338
PHE A  39
VAL A 145
ALA A 176
 None
 1.29A 3nhxA-2ayiA:
0.0		 3nhxA-2ayiA:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU5_B_478B401_1
(PROTEASE)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		5 / 12 LEU A 305
GLY A 310
GLY A 287
VAL A 260
VAL A 292
 None
 0.82A 3nu5A-2ayiA:
undetectable		 3nu5A-2ayiA:
15.23
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.
3OXW_B_017B200_1
(HIV-1 PROTEASE)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		5 / 10 LEU A 305
GLY A 310
GLY A 287
VAL A 260
VAL A 292
 None
 0.93A 3oxwA-2ayiA:
undetectable		 3oxwA-2ayiA:
15.23
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.
3QXV_D_MTXD2000_2
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		3 / 3 LEU A 219
ARG A 286
ASN A 371
 None
 0.64A 3qxvD-2ayiA:
undetectable		 3qxvD-2ayiA:
14.22
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.
3UFP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		4 / 7 ARG A  98
VAL A 139
PHE A  92
GLU A 133
 None
 1.50A 3ufpA-2ayiA:
undetectable
3ufpB-2ayiA:
undetectable		 3ufpA-2ayiA:
23.40
3ufpB-2ayiA:
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.
4D31_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		4 / 7 PHE A  92
GLU A 133
ARG A  98
VAL A 139
 None
 1.50A 4d31A-2ayiA:
undetectable
4d31B-2ayiA:
undetectable		 4d31A-2ayiA:
23.40
4d31B-2ayiA:
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		5 / 12 HIS A 345
ILE A 280
ALA A 318
VAL A 317
TRP A 379
 ZN  A 501 (-3.9A)
None
ZN  A 501 ( 4.7A)
None
None
 1.11A 4hfpD-2ayiA:
undetectable		 4hfpD-2ayiA:
20.76
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.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		4 / 6 ASN A 245
GLU A 316
TYR A 352
PHE A 252
 None
ZN  A 500 ( 2.7A)
None
ZN  A 501 ( 4.8A)
 1.25A 4twdB-2ayiA:
undetectable
4twdC-2ayiA:
undetectable		 4twdB-2ayiA:
20.36
4twdC-2ayiA:
20.36
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.
4TWD_C_377C402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		4 / 5 ASN A 245
GLU A 316
TYR A 352
PHE A 252
 None
ZN  A 500 ( 2.7A)
None
ZN  A 501 ( 4.8A)
 1.22A 4twdC-2ayiA:
0.0
4twdD-2ayiA:
0.0		 4twdC-2ayiA:
20.36
4twdD-2ayiA:
20.36
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.
4TWD_E_377E401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		4 / 6 ASN A 245
GLU A 316
TYR A 352
PHE A 252
 None
ZN  A 500 ( 2.7A)
None
ZN  A 501 ( 4.8A)
 1.27A 4twdD-2ayiA:
undetectable
4twdE-2ayiA:
undetectable		 4twdD-2ayiA:
20.36
4twdE-2ayiA:
20.36
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.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		4 / 6 ASN A 245
GLU A 316
TYR A 352
PHE A 252
 None
ZN  A 500 ( 2.7A)
None
ZN  A 501 ( 4.8A)
 1.27A 4twdG-2ayiA:
undetectable
4twdH-2ayiA:
undetectable		 4twdG-2ayiA:
20.36
4twdH-2ayiA:
20.36
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.
4TWD_J_377J401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		4 / 6 ASN A 245
GLU A 316
TYR A 352
PHE A 252
 None
ZN  A 500 ( 2.7A)
None
ZN  A 501 ( 4.8A)
 1.26A 4twdI-2ayiA:
undetectable
4twdJ-2ayiA:
undetectable		 4twdI-2ayiA:
20.36
4twdJ-2ayiA:
20.36
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.
4UUU_B_SAMB1548_0
(CYSTATHIONINE
BETA-SYNTHASE)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		5 / 11 PHE A  39
ALA A  36
PRO A  33
VAL A 101
ILE A  16
 None
 1.27A 4uuuB-2ayiA:
undetectable		 4uuuB-2ayiA:
16.18
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.
5FVU_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		4 / 7 PHE A  92
GLU A 133
ARG A  98
VAL A 139
 None
 1.50A 5fvuA-2ayiA:
undetectable
5fvuB-2ayiA:
undetectable		 5fvuA-2ayiA:
22.37
5fvuB-2ayiA:
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.
5G48_B_1FLB1375_1
(DNA POLYMERASE III
SUBUNIT BETA)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		5 / 9 LEU A 246
THR A 143
LEU A  20
ILE A  16
LEU A  22
 None
 1.38A 5g48B-2ayiA:
undetectable		 5g48B-2ayiA:
24.18
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.
5UO3_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		4 / 7 ARG A  98
VAL A 139
PHE A  92
GLU A 133
 None
 1.49A 5uo3A-2ayiA:
undetectable
5uo3B-2ayiA:
undetectable		 5uo3A-2ayiA:
22.37
5uo3B-2ayiA:
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.
5UO4_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		4 / 7 PHE A  92
GLU A 133
ARG A  98
VAL A 139
 None
 1.50A 5uo4A-2ayiA:
undetectable
5uo4B-2ayiA:
undetectable		 5uo4A-2ayiA:
22.37
5uo4B-2ayiA:
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.
6CDU_B_EY4B500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 2ayi AMINOPEPTIDASE T
(Thermus
thermophilus) 		4 / 6 GLN A  26
VAL A  28
ALA A  30
THR A  31
 None
 1.00A 6cduB-2ayiA:
undetectable
6cduC-2ayiA:
undetectable		 6cduB-2ayiA:
22.01
6cduC-2ayiA:
22.01