SIMILAR PATTERNS OF AMINO ACIDS FOR 4W5O_A_IPHA907_0

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.
1ezr NUCLEOSIDE HYDROLASE

(Leishmania
major) 		PF01156
(IU_nuc_hydro) 		4 ALA A 197
LYS A 238
THR A 200
TYR A 236
 None
 1.29A 4w5oA-1ezrA:
2.0		 4w5oA-1ezrA:
17.24
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.
2fe0 SMALL MYRISTOYLATED
PROTEIN 1

(Leishmania
major) 		PF09149
(DUF1935) 		4 ALA A  49
THR A  98
THR A  20
TYR A  51
 None
 1.34A 4w5oA-2fe0A:
undetectable		 4w5oA-2fe0A:
9.20
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.
2w48 SORBITOL OPERON
REGULATOR

(Klebsiella
pneumoniae) 		PF04198
(Sugar-bind)
PF13936
(HTH_38) 		4 ALA A  28
THR A  37
THR A  36
TYR A  34
 None
 1.45A 4w5oA-2w48A:
0.0		 4w5oA-2w48A:
16.31
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.
2xly CLOQ

(Streptomyces
roseochromogenus) 		PF11468
(PTase_Orf2) 		4 ALA A  47
THR A 285
THR A  51
TYR A 284
 None
 1.50A 4w5oA-2xlyA:
0.0		 4w5oA-2xlyA:
17.97
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.
3d9r KETOSTEROID
ISOMERASE-LIKE
PROTEIN

(Pectobacterium
atrosepticum) 		PF12680
(SnoaL_2) 		4 ALA A  15
THR A  34
THR A 124
TYR A  19
 None
None
None
UNL  A 136 (-4.8A)
 1.13A 4w5oA-3d9rA:
1.1		 4w5oA-3d9rA:
9.80
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.
3dg7 MUCONATE
CYCLOISOMERASE

(Mycolicibacterium
smegmatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ALA A 268
LYS A 266
THR A 301
THR A 304
 None
MUC  A1001 (-2.9A)
None
None
 1.39A 4w5oA-3dg7A:
4.0		 4w5oA-3dg7A:
18.53
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.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2) 		4 ALA A 257
THR A 603
THR A 262
TYR A 261
 None
 1.15A 4w5oA-3gyxA:
0.6		 4w5oA-3gyxA:
20.13
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.
3qpc CUTINASE

(Fusarium solani) 		PF01083
(Cutinase) 		4 ALA A 127
THR A 144
THR A 167
TYR A 162
 None
 1.31A 4w5oA-3qpcA:
5.6		 4w5oA-3qpcA:
13.23
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.
3t6s CERJ

(Streptomyces
tendae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ALA A  61
THR A 144
THR A 143
TYR A 302
 None
 1.47A 4w5oA-3t6sA:
0.0		 4w5oA-3t6sA:
17.30
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.
4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
GAMMA

(Methanothermobacter
marburgensis) 		PF00037
(Fer4)
PF01058
(Oxidored_q6) 		4 ALA B 167
THR B 135
THR B 203
TYR B 202
 None
 1.36A 4w5oA-4ci0B:
2.1		 4w5oA-4ci0B:
16.84
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.
4dd5 ACETYL-COA
ACETYLTRANSFERASE

(Clostridioides
difficile) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ALA A 286
LYS A 303
THR A 390
THR A 391
 None
 1.36A 4w5oA-4dd5A:
undetectable		 4w5oA-4dd5A:
18.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4krf PROTEIN ARGONAUTE-1

(Homo sapiens) 		PF02170
(PAZ)
PF02171
(Piwi)
PF08699
(ArgoL1)
PF16486
(ArgoN)
PF16487
(ArgoMid)
PF16488
(ArgoL2) 		5 ALA A 541
LYS A 568
THR A 850
THR A 853
TYR A 855
 None
U  R   1 ( 3.2A)
None
None
None
 0.16A 4w5oA-4krfA:
59.7		 4w5oA-4krfA:
82.46
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.
4kzs LPP20 LIPOFAMILY
PROTEIN

(Helicobacter
pylori) 		PF02169
(LPP20) 		4 ALA A  44
LYS A  53
THR A 115
TYR A 114
 None
 1.21A 4w5oA-4kzsA:
undetectable		 4w5oA-4kzsA:
16.30
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.
5gzs GGDEF FAMILY PROTEIN

(Vibrio cholerae) 		PF00497
(SBP_bac_3) 		4 ALA A 100
THR A  55
THR A  62
TYR A  79
 None
 1.48A 4w5oA-5gzsA:
undetectable		 4w5oA-5gzsA:
19.16
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.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		4 ALA A 450
THR A 719
THR A 721
TYR A 743
 None
 1.32A 4w5oA-5hlbA:
undetectable		 4w5oA-5hlbA:
22.08
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.
5hra ASPARTATE/GLUTAMATE
RACEMASE

(Escherichia
coli) 		PF01177
(Asp_Glu_race) 		4 LYS A  88
THR A 125
THR A  85
TYR A 127
 None
DAS  A 301 ( 4.1A)
DAS  A 301 (-3.7A)
None
 1.46A 4w5oA-5hraA:
2.2		 4w5oA-5hraA:
15.56
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.
5jp0 BETA-GLUCOSIDASE
BOGH3B

(Bacteroides
ovatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ALA A 173
LYS A 104
THR A 136
THR A 139
 None
 1.19A 4w5oA-5jp0A:
3.4		 4w5oA-5jp0A:
20.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vm9 PROTEIN ARGONAUTE-3

(Homo sapiens) 		no annotation 4 ALA A 544
LYS A 571
THR A 853
THR A 856
 None
A  B   1 ( 2.9A)
None
None
 0.71A 4w5oA-5vm9A:
55.6		 4w5oA-5vm9A:
79.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vm9 PROTEIN ARGONAUTE-3

(Homo sapiens) 		no annotation 4 ALA A 544
LYS A 571
THR A 856
TYR A 858
 None
A  B   1 ( 2.9A)
None
None
 0.64A 4w5oA-5vm9A:
55.6		 4w5oA-5vm9A:
79.75
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.
5wea PROTEIN ARGONAUTE-2

(Homo sapiens) 		no annotation 4 ALA A 543
LYS A 570
THR A 852
TYR A 857
 None
A  B   1 ( 4.0A)
None
None
 0.55A 4w5oA-5weaA:
58.7		 4w5oA-5weaA:
undetectable
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.
6c7v -

(-) 		no annotation 4 LYS A 146
THR A 104
THR A 142
TYR A 143
 None
 1.48A 4w5oA-6c7vA:
2.7		 4w5oA-6c7vA:
undetectable