SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4d2i'

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.
1EII_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN II)		 4d2i HERA
(Sulfolobus
solfataricus) 		5 / 12 MET A 405
THR A 369
ALA A 373
ILE A 409
LEU A 397
 None
 1.19A 1eiiA-4d2iA:
undetectable		 1eiiA-4d2iA:
14.58
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.
1HPK_A_ACAA80_1
(PLASMINOGEN)		 4d2i HERA
(Sulfolobus
solfataricus) 		4 / 6 ASP A  85
ASN A  88
ASP A  94
TYR A  33
 None
 1.45A 1hpkA-4d2iA:
undetectable		 1hpkA-4d2iA:
10.79
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.
1N49_B_RITB301_1
(PROTEASE)		 4d2i HERA
(Sulfolobus
solfataricus) 		4 / 7 GLY A 449
ILE A 451
ALA A 445
ILE A 410
 None
 0.78A 1n49A-4d2iA:
undetectable		 1n49A-4d2iA:
11.00
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.
1UWH_A_BAXA1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4d2i HERA
(Sulfolobus
solfataricus) 		4 / 6 ILE A 291
VAL A 290
ILE A 299
ILE A 350
 None
 0.81A 1uwhA-4d2iA:
undetectable		 1uwhA-4d2iA:
20.44
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.
2QO4_A_CHDA130_0
(LIVER-BASIC FATTY
ACID BINDING PROTEIN)		 4d2i HERA
(Sulfolobus
solfataricus) 		5 / 12 LEU A 209
VAL A 290
THR A 369
ASP A 321
MET A 201
 None
 1.42A 2qo4A-4d2iA:
undetectable		 2qo4A-4d2iA:
12.94
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.
2WEK_A_DIFA1373_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 4d2i HERA
(Sulfolobus
solfataricus) 		4 / 8 SER A 311
VAL A 323
TYR A 182
ASN A 289
 None
 1.03A 2wekA-4d2iA:
2.9		 2wekA-4d2iA:
21.92
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.
2WEK_B_DIFB1373_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 4d2i HERA
(Sulfolobus
solfataricus) 		4 / 8 SER A 311
VAL A 323
TYR A 182
ASN A 289
 None
 0.99A 2wekB-4d2iA:
undetectable		 2wekB-4d2iA:
21.92
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.
2ZZA_A_FOLA164_0
(DIHYDROFOLATE
REDUCTASE)		 4d2i HERA
(Sulfolobus
solfataricus) 		5 / 12 ILE A 448
ALA A 456
LEU A 135
ILE A 146
LEU A 144
 None
 1.31A 2zzaA-4d2iA:
2.0		 2zzaA-4d2iA:
14.20
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.
2ZZA_B_FOLB164_0
(DIHYDROFOLATE
REDUCTASE)		 4d2i HERA
(Sulfolobus
solfataricus) 		5 / 11 ILE A 448
ALA A 456
LEU A 135
ILE A 146
LEU A 144
 None
 1.34A 2zzaB-4d2iA:
undetectable		 2zzaB-4d2iA:
14.20
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		 4d2i HERA
(Sulfolobus
solfataricus) 		6 / 11 ILE A 146
ILE A 165
SER A 166
ILE A 174
VAL A 353
VAL A 172
 None
 1.24A 3kw4A-4d2iA:
undetectable		 3kw4A-4d2iA:
21.44
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.
3SOA_A_DB8A445_1
(CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II
SUBUNIT ALPHA WITH A
BETA 7 LINKER)		 4d2i HERA
(Sulfolobus
solfataricus) 		4 / 6 LEU A 199
MET A 201
PHE A 227
PHE A 283
 None
 1.12A 3soaA-4d2iA:
undetectable		 3soaA-4d2iA:
21.01
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		 4d2i HERA
(Sulfolobus
solfataricus) 		5 / 12 LEU A  25
LEU A  39
LEU A  83
ALA A 106
TYR A  28
 None
 1.09A 3vw7A-4d2iA:
undetectable		 3vw7A-4d2iA:
21.86
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.
4NKX_B_STRB601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4d2i HERA
(Sulfolobus
solfataricus) 		4 / 5 ILE A 389
LEU A 387
GLU A 355
VAL A 309
 None
None
MG  A1478 ( 3.9A)
None
 1.03A 4nkxB-4d2iA:
undetectable		 4nkxB-4d2iA:
23.16
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.
5DZK_3_BEZ3801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		 4d2i HERA
(Sulfolobus
solfataricus) 		4 / 4 LEU A 332
ILE A 331
GLY A 380
ILE A 350
 None
 0.89A 5dzk3-4d2iA:
undetectable
5dzkm-4d2iA:
1.6		 5dzk3-4d2iA:
3.85
5dzkm-4d2iA:
17.59
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.
5DZK_S_BEZS801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 4d2i HERA
(Sulfolobus
solfataricus) 		4 / 6 PHE A 280
MET A 256
LEU A 209
LEU A 210
 None
 1.32A 5dzke-4d2iA:
undetectable
5dzks-4d2iA:
undetectable		 5dzke-4d2iA:
18.03
5dzks-4d2iA:
3.85
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.
5DZK_Y_BEZY801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 4d2i HERA
(Sulfolobus
solfataricus) 		4 / 5 ILE A 331
GLY A 380
ILE A 350
LEU A 332
 None
 0.92A 5dzkd-4d2iA:
undetectable
5dzkk-4d2iA:
undetectable
5dzky-4d2iA:
undetectable		 5dzkd-4d2iA:
18.03
5dzkk-4d2iA:
17.59
5dzky-4d2iA:
3.85
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.
5FUK_A_SNPA1236_1
(MROUPO)		 4d2i HERA
(Sulfolobus
solfataricus) 		4 / 7 ILE A 165
ILE A 186
ILE A 174
LEU A 189
 None
 0.79A 5fukA-4d2iA:
undetectable
5fukB-4d2iA:
undetectable		 5fukA-4d2iA:
19.96
5fukB-4d2iA:
19.96
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.
5LG3_J_Z80J401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 4d2i HERA
(Sulfolobus
solfataricus) 		5 / 12 ILE A 174
VAL A 353
THR A 388
ASN A 407
ILE A 146
 None
 1.15A 5lg3J-4d2iA:
undetectable		 5lg3J-4d2iA:
20.93
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.
5MVM_B_PFLB510_1
(PROTON-GATED ION
CHANNEL)		 4d2i HERA
(Sulfolobus
solfataricus) 		4 / 6 ILE A 422
ALA A 434
LEU A 437
ILE A 446
 None
 0.82A 5mvmB-4d2iA:
undetectable
5mvmC-4d2iA:
undetectable		 5mvmB-4d2iA:
11.16
5mvmC-4d2iA:
11.16
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.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		 4d2i HERA
(Sulfolobus
solfataricus) 		5 / 12 GLU A 132
LEU A 135
ARG A 164
LEU A 161
ILE A 460
 None
None
None
None
ANP  A1477 (-4.0A)
 1.11A 5v0vA-4d2iA:
3.4		 5v0vA-4d2iA:
21.68
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.
5WYQ_B_SAMB301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 4d2i HERA
(Sulfolobus
solfataricus) 		5 / 12 GLY A 305
ILE A 121
LEU A 168
GLY A 169
GLY A 170
 None
 0.93A 5wyqB-4d2iA:
undetectable		 5wyqB-4d2iA:
19.60
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.
6A7J_A_TESA502_0
(CYTOCHROME P450)		 4d2i HERA
(Sulfolobus
solfataricus) 		4 / 7 LEU A 210
LEU A 223
ALA A 226
THR A 231
 None
 0.59A 6a7jA-4d2iA:
undetectable		 6a7jA-4d2iA:
11.04
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.
6D9K_F_ACTF802_0
(UNCHARACTERIZED
PROTEIN)		 4d2i HERA
(Sulfolobus
solfataricus) 		3 / 3 TYR A 115
ALA A 106
LEU A  39
 None
 0.76A 6d9kF-4d2iA:
undetectable		 6d9kF-4d2iA:
21.91
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.
6DM2_A_CYZA1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 4d2i HERA
(Sulfolobus
solfataricus) 		5 / 9 PRO A 194
MET A 320
LEU A 173
ILE A 298
SER A 325
 None
 1.47A 6dm2A-4d2iA:
3.6
6dm2D-4d2iA:
3.1		 6dm2A-4d2iA:
9.55
6dm2D-4d2iA:
9.55
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.
6DM2_C_CYZC1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 4d2i HERA
(Sulfolobus
solfataricus) 		5 / 9 ILE A 298
SER A 325
PRO A 194
MET A 320
LEU A 173
 None
 1.47A 6dm2B-4d2iA:
2.3
6dm2C-4d2iA:
3.6		 6dm2B-4d2iA:
9.55
6dm2C-4d2iA:
9.55