SIMILAR PATTERNS OF AMINO ACIDS FOR 2X2I_B_QPSB1050_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.
1h79 ANAEROBIC
RIBONUCLEOTIDE-TRIPH
OSPHATE REDUCTASE
LARGE CHAIN

(Escherichia
virus T4) 		PF13597
(NRDD) 		4 PHE A 194
TYR A 581
ARG A 291
THR A 128
 None
 1.43A 2x2iB-1h79A:
1.1		 2x2iB-1h79A:
19.79
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.
1q90 CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT

(Chlamydomonas
reinhardtii) 		PF00355
(Rieske) 		4 TYR C 159
TRP C 204
TRP C 205
THR C 115
 None
 1.43A 2x2iB-1q90C:
0.1		 2x2iB-1q90C:
8.22
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.
1qaf PROTEIN (COPPER
AMINE OXIDASE)

(Escherichia
coli) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
PF07833
(Cu_amine_oxidN1) 		4 PHE A 470
TYR A 528
TRP A 703
THR A 462
 None
None
None
TPQ  A 466 ( 3.8A)
 1.39A 2x2iB-1qafA:
0.0		 2x2iB-1qafA:
21.61
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
 0.79A 2x2iB-2xvgA:
30.2		 2x2iB-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.
2zt9 CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT 1

(Nostoc sp. PCC
7120) 		PF00355
(Rieske)
PF08802
(CytB6-F_Fe-S) 		4 TYR D 133
TRP D 177
TRP D 178
THR D  89
 None
 1.46A 2x2iB-2zt9D:
undetectable		 2x2iB-2zt9D:
10.73
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.
3azc CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT

(Thermosynechococcus
elongatus) 		PF00355
(Rieske) 		4 TYR A 133
TRP A 178
TRP A 179
THR A  89
 None
 1.45A 2x2iB-3azcA:
undetectable		 2x2iB-3azcA:
8.66
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.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense) 		PF00326
(Peptidase_S9) 		4 TYR A 569
TRP A 479
ARG A 572
THR A 576
 None
 1.42A 2x2iB-3azqA:
0.0		 2x2iB-3azqA:
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.
3fah ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 PHE A 505
TYR A 622
TRP A 463
ARG A 460
 None
GOL  A 912 (-4.5A)
None
CL  A 916 (-4.4A)
 1.27A 2x2iB-3fahA:
0.0		 2x2iB-3fahA:
23.99
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.
3n92 ALPHA-AMYLASE, GH57
FAMILY

(Thermococcus
kodakarensis) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		4 PHE A  54
TYR A 135
ARG A 388
THR A   6
 None
 1.49A 2x2iB-3n92A:
undetectable		 2x2iB-3n92A:
20.17
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.
3obi FORMYLTETRAHYDROFOLA
TE DEFORMYLASE

(Rhodopseudomonas
palustris) 		PF00551
(Formyl_trans_N) 		4 PHE A  53
TYR A   6
ARG A  66
THR A   9
 None
None
None
EDO  A 308 ( 4.4A)
 1.41A 2x2iB-3obiA:
1.4		 2x2iB-3obiA:
14.68
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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 TRP A1418
ARG A1510
TRP A1523
THR A1586
 None
ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
None
 1.04A 2x2iB-3topA:
32.8		 2x2iB-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.
3wrf NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE

(Bifidobacterium
longum) 		PF07944
(Glyco_hydro_127) 		4 PHE A 490
TYR A 475
ARG A 493
THR A 435
 None
 1.47A 2x2iB-3wrfA:
5.1		 2x2iB-3wrfA:
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 PHE A 271
TRP A 410
ARG A 463
TRP A 477
 None
 0.47A 2x2iB-4b9yA:
33.8		 2x2iB-4b9yA:
23.49
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.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 PHE A 164
TYR A 111
ARG A  78
THR A 121
 None
 1.17A 2x2iB-5m7rA:
11.1		 2x2iB-5m7rA:
21.05