SIMILAR PATTERNS OF AMINO ACIDS FOR 2A1N_B_CAMB2422

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. 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.
1fo0 PROTEIN (BM3.3 T
CELL RECEPTOR
ALPHA-CHAIN)


(Mus musculus)
PF07686
(V-set)
5 TYR A  88
THR A  38
LEU A  46
VAL A  44
ASP A  84
None
1.49A 2a1nB-1fo0A:
0.0
2a1nB-1fo0A:
14.47
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.
2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE


(Thermus
thermophilus)
PF01557
(FAA_hydrolase)
PF10370
(DUF2437)
5 THR A 254
VAL A 144
THR A 187
VAL A 189
ASP A 240
None
1.37A 2a1nB-2dfuA:
0.0
2a1nB-2dfuA:
21.35
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.
2f43 ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL


(Rattus
norvegicus)
PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N)
5 THR A 176
THR A 235
LEU A 216
VAL A 213
ASP A 270
MG  A 602 ( 3.3A)
None
None
None
MG  A 602 ( 4.8A)
1.14A 2a1nB-2f43A:
0.0
2a1nB-2f43A:
22.75
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.
2fi1 HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY


(Streptococcus
pneumoniae)
PF13419
(HAD_2)
5 PHE A  66
TYR A  70
THR A  52
LEU A  48
VAL A  44
None
1.49A 2a1nB-2fi1A:
0.0
2a1nB-2fi1A:
20.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE


(Pseudomonas
putida)
PF00067
(p450)
5 PHE A  87
TYR A  96
LEU A 244
THR A 252
VAL A 396
CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-4.5A)
HEM  A 501 (-3.4A)
None
1.28A 2a1nB-2m56A:
69.4
2a1nB-2m56A:
99.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE


(Pseudomonas
putida)
PF00067
(p450)
9 PHE A  87
TYR A  96
THR A 101
THR A 185
LEU A 244
VAL A 247
THR A 252
VAL A 295
ASP A 297
CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-2.9A)
None
HEM  A 501 (-4.5A)
None
HEM  A 501 (-3.4A)
HEM  A 501 (-4.6A)
HEM  A 501 (-2.8A)
0.41A 2a1nB-2m56A:
69.4
2a1nB-2m56A:
99.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans)
PF00067
(p450)
5 TYR A  98
THR A 103
LEU A 252
THR A 260
VAL A 404
None
GOL  A1419 (-3.8A)
HEM  A1418 (-4.0A)
HEM  A1418 (-3.6A)
GOL  A1419 (-3.5A)
1.19A 2a1nB-4c9mA:
59.0
2a1nB-4c9mA:
44.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans)
PF00067
(p450)
7 TYR A  98
THR A 103
THR A 187
LEU A 252
THR A 260
VAL A 303
ASP A 305
None
GOL  A1419 (-3.8A)
None
HEM  A1418 (-4.0A)
HEM  A1418 (-3.6A)
GOL  A1419 (-3.9A)
HEM  A1418 (-2.7A)
0.59A 2a1nB-4c9mA:
59.0
2a1nB-4c9mA:
44.92
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.
4czw PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2


(Neurospora
crassa)
PF00929
(RNase_T)
PF13423
(UCH_1)
5 THR A 593
LEU A 508
VAL A 511
THR A 515
VAL A 721
None
1.07A 2a1nB-4czwA:
0.0
2a1nB-4czwA:
20.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans)
PF00067
(p450)
5 PHE A  87
THR A 101
LEU A 250
THR A 258
VAL A 301
None
HEM  A 501 ( 4.8A)
HEM  A 501 (-4.3A)
HEM  A 501 (-3.7A)
PEG  A 502 ( 4.5A)
0.95A 2a1nB-4dxyA:
52.2
2a1nB-4dxyA:
45.88
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.
4fc4 NITRITE TRANSPORTER
NIRC


(Salmonella
enterica)
PF01226
(Form_Nir_trans)
5 PHE A 190
THR A  81
LEU A  79
VAL A  38
THR A 203
None
1.39A 2a1nB-4fc4A:
0.0
2a1nB-4fc4A:
20.96
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.
5exc GREEN FLUORESCENT
PROTEIN


(Dendronephthya
sp. SSAL-2002)
PF01353
(GFP)
5 PHE I  79
TYR I 177
THR I 175
THR I  69
VAL I 191
None
1.43A 2a1nB-5excI:
undetectable
2a1nB-5excI:
17.84
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.
5lgd PLATELET
GLYCOPROTEIN 4


(Homo sapiens)
PF01130
(CD36)
5 PHE A 122
TYR A  93
THR A 130
LEU A 179
VAL A 128
None
None
NAG  A 507 ( 4.7A)
None
None
1.42A 2a1nB-5lgdA:
undetectable
2a1nB-5lgdA:
20.52
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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis)
no annotation 5 PHE A  34
TYR A  30
THR A 213
LEU A 274
VAL A 325
None
1.31A 2a1nB-6eu6A:
undetectable
2a1nB-6eu6A:
undetectable