SIMILAR PATTERNS OF AMINO ACIDS FOR 2X2I_A_QPSA1050_2

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.
1lt8 BETAINE-HOMOCYSTEINE
METHYLTRANSFERASE

(Homo sapiens) 		PF02574
(S-methyl_trans) 		4 VAL A 343
TRP A 352
ARG A 278
TRP A 279
 None
 1.17A 2x2iA-1lt8A:
4.9		 2x2iA-1lt8A:
16.68
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 TRP A 318
MET A 321
ARG A 400
TRP A 413
 None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
None
 0.48A 2x2iA-2g3nA:
31.4		 2x2iA-2g3nA:
23.03
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.
2gdj DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Methanococcus
voltae) 		PF08423
(Rad51) 		4 VAL A 173
MET A 162
ARG A 158
THR A 153
 None
None
ANP  A 401 (-3.7A)
MG  A 501 ( 4.0A)
 1.24A 2x2iA-2gdjA:
undetectable		 2x2iA-2gdjA:
13.61
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 TRP A 580
ARG A 642
TRP A 656
THR A 693
 None
 0.82A 2x2iA-2xvgA:
31.4		 2x2iA-2xvgA:
23.85
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.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 TRP A 441
MET A 444
ARG A 526
TRP A 539
 3CU  A1001 (-4.9A)
3CU  A1001 ( 3.9A)
3CU  A1001 ( 3.5A)
3CU  A1001 (-4.6A)
 0.52A 2x2iA-3cttA:
36.1		 2x2iA-3cttA:
24.02
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 TRP A 470
MET A 473
ARG A 555
TRP A 568
 None
TRS  A6001 ( 3.7A)
TRS  A6001 ( 4.6A)
None
 0.62A 2x2iA-3lppA:
33.6		 2x2iA-3lppA:
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.
3ntu DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Methanococcus
voltae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		4 VAL A 173
MET A 162
ARG A 158
THR A 153
 None
None
ANP  A 401 (-3.5A)
MG  A 501 ( 4.6A)
 1.20A 2x2iA-3ntuA:
undetectable		 2x2iA-3ntuA:
15.74
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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 MET A1421
ARG A1510
TRP A1523
THR A1586
 ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
None
 0.85A 2x2iA-3topA:
32.8		 2x2iA-3topA:
24.45
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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 TRP A1418
MET A1421
ARG A1510
TRP A1523
 None
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
 0.58A 2x2iA-3topA:
32.8		 2x2iA-3topA:
24.45
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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		4 TRP A 467
MET A 470
ARG A 552
TRP A 565
 None
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.8A)
 0.66A 2x2iA-3welA:
32.8		 2x2iA-3welA:
24.57
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.
4e3c INHIBITOR OF NUCLEAR
FACTOR KAPPA-B
KINASE SUBUNIT BETA

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A 235
TRP A 206
ARG A 220
THR A 217
 None
 1.47A 2x2iA-4e3cA:
undetectable		 2x2iA-4e3cA:
20.75
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.
4ixj FIMBRIAL PROTEIN
(PILIN)

(Clostridioides
difficile) 		no annotation 4 VAL A 201
TRP A 224
MET A 120
THR A 182
 None
 1.39A 2x2iA-4ixjA:
undetectable		 2x2iA-4ixjA:
14.17
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.
4lr4 HYPOTHETICAL PROTEIN

([Eubacterium]
rectale) 		no annotation 4 VAL A 365
TRP A 338
TRP A 339
THR A 376
 None
 1.15A 2x2iA-4lr4A:
undetectable		 2x2iA-4lr4A:
16.34
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.
4nik SINGLE-CHAIN FV
FRAGMENT ANTIBODY

(Homo sapiens) 		PF07686
(V-set) 		4 TRP B  38
MET B  36
ARG B  74
THR B  78
 None
 1.44A 2x2iA-4nikB:
undetectable		 2x2iA-4nikB:
13.24
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.
4qc8 VP2

(Ungulate
bocaparvovirus
1) 		PF00740
(Parvo_coat) 		4 VAL A 131
MET A 181
ARG A  64
THR A  51
 None
 1.37A 2x2iA-4qc8A:
undetectable		 2x2iA-4qc8A:
20.12
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.
4qvg SIBL

(Streptosporangium
sibiricum) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		4 VAL A 338
TRP A 309
ARG A 308
THR A 305
 None
 1.22A 2x2iA-4qvgA:
undetectable		 2x2iA-4qvgA:
14.73
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.
5aee ALPHA-GLUCOSIDASE
YIHQ

(Escherichia
coli) 		PF01055
(Glyco_hydro_31) 		4 VAL A 302
ARG A 455
TRP A 469
THR A 509
 NSQ  A1681 (-3.5A)
NSQ  A1681 (-3.7A)
NSQ  A1681 (-4.8A)
None
 1.09A 2x2iA-5aeeA:
25.7		 2x2iA-5aeeA:
21.25
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.
5b4s CHITOSANASE

(Mitsuaria
chitosanitabida) 		PF13647
(Glyco_hydro_80) 		4 VAL A 205
TRP A 247
MET A 308
THR A 299
 None
 1.44A 2x2iA-5b4sA:
undetectable		 2x2iA-5b4sA:
14.02
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		4 TRP A 554
MET A 557
ARG A 617
TRP A 630
 TRS  A1001 (-4.9A)
TRS  A1001 (-3.5A)
TRS  A1001 (-4.0A)
None
 0.56A 2x2iA-5dkxA:
31.7		 2x2iA-5dkxA:
23.95
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.
5g0a TRANSAMINASE

(Bacillus
megaterium) 		PF00202
(Aminotran_3) 		4 VAL A 312
TRP A 111
ARG A 256
THR A 236
 None
None
PEG  A1477 (-4.4A)
None
 1.19A 2x2iA-5g0aA:
undetectable		 2x2iA-5g0aA:
17.86
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 TRP A 562
MET A 565
ARG A 624
TRP A 637
 5GF  A1021 (-4.6A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.4A)
5GF  A1021 ( 4.6A)
 0.63A 2x2iA-5hjrA:
36.1		 2x2iA-5hjrA:
25.54
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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 4 TRP A 516
MET A 519
ARG A 600
TRP A 613
 None
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-4.8A)
 0.44A 2x2iA-5nn8A:
37.0		 2x2iA-5nn8A:
24.28
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		4 VAL C3726
ARG C3630
TRP C3686
THR C3635
 None
 1.45A 2x2iA-5y3rC:
undetectable		 2x2iA-5y3rC:
12.61