SIMILAR PATTERNS OF AMINO ACIDS FOR 3NNE_B_ACTB601_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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 TRP A  86
ILE A 100
HIS A  39
VAL A  20
 None
 1.47A 3nneB-1v7vA:
0.9		 3nneB-1v7vA:
22.76
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.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 TRP A  97
HIS A  64
VAL A  62
HIS A  67
 None
 1.19A 3nneB-2it4A:
0.0		 3nneB-2it4A:
18.73
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.
3eez PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Ruegeria
pomeroyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TRP A 198
ILE A 230
HIS A 234
VAL A 238
 None
 1.10A 3nneB-3eezA:
0.0		 3nneB-3eezA:
22.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 TRP A  61
ILE A 103
HIS A 351
HIS A 466
 None
FDA  A 547 (-3.5A)
None
FDA  A 547 ( 4.6A)
 0.19A 3nneB-3ljpA:
67.9		 3nneB-3ljpA:
99.63
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.
3qzy BACULOVIRUS
SULFHYDRYL OXIDASE
AC92

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF05214
(Baculo_p33) 		4 TRP A 110
HIS A 227
VAL A 165
HIS A 161
 FAD  A 334 (-3.4A)
None
None
FAD  A 334 (-4.1A)
 1.45A 3nneB-3qzyA:
0.7		 3nneB-3qzyA:
16.73
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.
3wkq NITRITE REDUCTASE

(Geobacillus
thermodenitrificans) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ILE A  49
HIS A  21
VAL A  93
HIS A  95
 None
FMT  A 412 (-3.7A)
None
CU  A 401 (-3.1A)
 1.46A 3nneB-3wkqA:
0.0		 3nneB-3wkqA:
19.78
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.
4aco CENTROMERE
DNA-BINDING PROTEIN
COMPLEX CBF3 SUBUNIT
A

(Saccharomyces
cerevisiae) 		PF16787
(NDC10_II) 		4 ILE A  94
HIS A 158
VAL A 154
HIS A  86
 None
 1.17A 3nneB-4acoA:
0.0		 3nneB-4acoA:
18.05
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.
4dix PLECTIN-RELATED
PROTEIN

(Arabidopsis
thaliana) 		PF16709
(SCAB-IgPH) 		4 ILE A 420
HIS A 402
VAL A 388
HIS A 396
 None
 1.43A 3nneB-4dixA:
0.0		 3nneB-4dixA:
17.80
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.
4h0p ACETATE KINASE

(Cryptococcus
neoformans) 		PF00871
(Acetate_kinase) 		4 ILE A 146
HIS A 152
VAL A  97
HIS A  99
 None
 1.33A 3nneB-4h0pA:
0.0		 3nneB-4h0pA:
21.37
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.
4upi SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		4 TRP A 494
ILE A 377
VAL A  66
HIS A  69
 None
 1.22A 3nneB-4upiA:
undetectable		 3nneB-4upiA:
22.62
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.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		4 ILE A 215
HIS A 238
VAL A 200
HIS A 184
 None
None
None
BVP  A1001 (-4.7A)
 1.42A 3nneB-4xscA:
undetectable		 3nneB-4xscA:
20.40
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.
4zxc HYDROQUINONE
DIOXYGENASE LARGE
SUBUNIT

(Pseudomonas sp.
WBC-3) 		no annotation 4 ILE W  61
HIS W  59
VAL W  88
HIS W  87
 None
 1.35A 3nneB-4zxcW:
undetectable		 3nneB-4zxcW:
22.46
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.
5f4o CAPSID PROTEIN VP1

(Norwalk virus) 		PF08435
(Calici_coat_C) 		4 TRP A 457
ILE A 231
HIS A 514
VAL A 478
 None
 1.47A 3nneB-5f4oA:
undetectable		 3nneB-5f4oA:
19.55
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.
5m22 HYDROQUINONE
DIOXYGENASE LARGE
SUBUNIT

(Sphingomonas
sp. TTNP3) 		no annotation 4 ILE B  60
HIS B  58
VAL B  87
HIS B  86
 None
 1.32A 3nneB-5m22B:
undetectable		 3nneB-5m22B:
23.27
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.
5van BETA-KLOTHO

(Homo sapiens) 		no annotation 4 TRP A 402
ILE A 305
HIS A 303
VAL A 326
 None
 1.03A 3nneB-5vanA:
undetectable		 3nneB-5vanA:
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.
5w21 KLOTHO

(Homo sapiens) 		no annotation 4 TRP A 400
ILE A 303
HIS A 301
VAL A 323
 None
 0.77A 3nneB-5w21A:
0.0		 3nneB-5w21A:
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.
5wi9 -

(-) 		no annotation 4 TRP A 402
ILE A 305
HIS A 303
VAL A 326
 None
 1.09A 3nneB-5wi9A:
0.0		 3nneB-5wi9A:
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.
6c66 CRISPR-ASSOCIATED
HELICASE, CAS3
FAMILY

(Thermobifida
fusca) 		no annotation 4 TRP G 934
ILE G 943
VAL G 592
HIS G 620
 None
 1.39A 3nneB-6c66G:
undetectable		 3nneB-6c66G:
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.
6gsa -

(-) 		no annotation 4 ILE E  94
HIS E 158
VAL E 154
HIS E  86
 None
 1.16A 3nneB-6gsaE:
undetectable		 3nneB-6gsaE:
undetectable