SIMILAR PATTERNS OF AMINO ACIDS FOR 4JTR_B_IZPB401

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.
1pz3 ALPHA-L-ARABINOFURAN
OSIDASE

(Geobacillus
stearothermophilus) 		PF06964
(Alpha-L-AF_C) 		4 TYR A  40
VAL A  35
TYR A  36
HIS A  30
 None
 1.44A 4jtrB-1pz3A:
8.9		 4jtrB-1pz3A:
22.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		4 TYR A  24
TYR A  55
TRP A  86
HIS A 117
 None
NDP  A1003 (-4.9A)
None
NDP  A1003 (-4.3A)
 0.44A 4jtrB-1q5mA:
52.3		 4jtrB-1q5mA:
78.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qwk ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1

(Caenorhabditis
elegans) 		PF00248
(Aldo_ket_red) 		4 VAL A  51
TYR A  52
TRP A  83
HIS A 114
 None
 0.24A 4jtrB-1qwkA:
41.1		 4jtrB-1qwkA:
39.88
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.
1t34 ATRIAL NATRIURETIC
PEPTIDE RECEPTOR A

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 VAL A 209
TYR A 211
TRP A 146
HIS A 141
 None
 1.32A 4jtrB-1t34A:
undetectable		 4jtrB-1t34A:
22.77
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.
2bii NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		4 VAL A 435
TYR A 433
HIS A 448
TRP A 389
 None
None
GOL  A 702 ( 4.3A)
None
 1.49A 4jtrB-2biiA:
undetectable		 4jtrB-2biiA:
22.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fvl ALDO-KETO REDUCTASE
FAMILY 1, MEMBER C4

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		4 TYR A  24
TYR A  55
TRP A  86
HIS A 117
 None
NAP  A1001 (-4.7A)
None
NAP  A1001 (-4.4A)
 0.18A 4jtrB-2fvlA:
52.4		 4jtrB-2fvlA:
81.73
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.
2hj9 AUTOINDUCER
2-BINDING
PERIPLASMIC PROTEIN
LUXP

(Vibrio harveyi) 		PF13407
(Peripla_BP_4) 		4 TYR A 210
VAL A 164
TYR A  28
TRP A 167
 None
 1.40A 4jtrB-2hj9A:
2.9		 4jtrB-2hj9A:
22.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)

(Mus musculus) 		PF00248
(Aldo_ket_red) 		4 VAL A  54
TYR A  55
TRP A  86
HIS A 117
 None
FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
 0.15A 4jtrB-2ipfA:
51.6		 4jtrB-2ipfA:
72.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 VAL A  54
TYR A  55
TRP A  86
HIS A 117
TRP A 227
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
FFA  A 325 (-3.8A)
 0.18A 4jtrB-2ipjA:
55.2		 4jtrB-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2is7 ALDOSE REDUCTASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		4 VAL A  47
TYR A  48
TRP A  79
HIS A 110
 2CL  A 317 (-4.2A)
2CL  A 317 ( 4.5A)
None
2CL  A 317 ( 3.8A)
 0.22A 4jtrB-2is7A:
46.8		 4jtrB-2is7A:
49.07
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.
2p2c CASPASE-2

(Homo sapiens) 		PF00656
(Peptidase_C14)
PF12796
(Ank_2)
PF13637
(Ank_4) 		4 TYR P  79
TYR B 273
HIS B 280
TRP B 238
 None
 1.30A 4jtrB-2p2cP:
undetectable		 4jtrB-2p2cP:
21.62
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.
2y2w ARABINOFURANOSIDASE

(Bifidobacterium
longum) 		PF06964
(Alpha-L-AF_C) 		4 TYR A  80
VAL A  75
TYR A  76
HIS A  70
 None
 1.38A 4jtrB-2y2wA:
9.6		 4jtrB-2y2wA:
22.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h7r ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		4 TYR A  24
TYR A  48
TRP A  79
HIS A 110
 ACT  A 501 ( 4.0A)
ACT  A 501 ( 4.3A)
None
ACT  A 501 ( 4.0A)
 0.36A 4jtrB-3h7rA:
41.2		 4jtrB-3h7rA:
37.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3krb ALDOSE REDUCTASE

(Giardia
intestinalis) 		PF00248
(Aldo_ket_red) 		4 VAL A  39
TYR A  40
TRP A  73
HIS A 104
 None
UNX  A 402 (-4.4A)
None
UNX  A 402 (-4.1A)
 0.26A 4jtrB-3krbA:
39.3		 4jtrB-3krbA:
35.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ln3 DIHYDRODIOL
DEHYDROGENASE

(Mus musculus) 		PF00248
(Aldo_ket_red) 		4 TYR A  24
TYR A  55
TRP A  86
HIS A 117
 MLY  A  25 (-3.6A)
NAD  A 327 ( 4.7A)
None
MRD  A 328 ( 3.9A)
 0.29A 4jtrB-3ln3A:
50.5		 4jtrB-3ln3A:
66.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o3r ALDO-KETO REDUCTASE
FAMILY 1, MEMBER B7

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		4 VAL A  48
TYR A  49
TRP A  80
HIS A 111
 None
NAP  A 317 (-4.9A)
None
NAP  A 317 (-4.3A)
 0.29A 4jtrB-3o3rA:
45.3		 4jtrB-3o3rA:
46.22
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.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		4 TYR A 275
VAL A 173
TYR A 175
TRP A 172
 None
None
None
HEA  A   1 ( 4.0A)
 1.44A 4jtrB-3omnA:
undetectable		 4jtrB-3omnA:
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.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		4 VAL A 158
TYR A 164
TRP A 155
HIS A 184
 None
 1.42A 4jtrB-3vasA:
undetectable		 4jtrB-3vasA:
20.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wcz ALDO-KETO REDUCTASE
2E

(Bombyx mori) 		PF00248
(Aldo_ket_red) 		4 VAL A  57
TYR A  58
TRP A  89
HIS A 120
 None
CIT  A 406 ( 3.2A)
None
NAP  A 401 (-4.0A)
 0.21A 4jtrB-3wczA:
42.7		 4jtrB-3wczA:
42.33
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.
4c7g BETA-N-ACETYLHEXOSAM
INIDASE

(Streptomyces
coelicolor) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		4 TYR A 486
VAL A 402
TYR A 386
TRP A 493
 None
 1.42A 4jtrB-4c7gA:
10.2		 4jtrB-4c7gA:
21.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hbk ALDO-KETO REDUCTASE
FAMILY 1, MEMBER B4
(ALDOSE REDUCTASE)

(Schistosoma
japonicum) 		PF00248
(Aldo_ket_red) 		4 VAL A  47
TYR A  48
TRP A  79
HIS A 110
 None
 0.46A 4jtrB-4hbkA:
43.9		 4jtrB-4hbkA:
40.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5liy ALDO-KETO REDUCTASE
FAMILY 1 MEMBER B10

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		4 VAL X  48
TYR X  49
TRP X  80
HIS X 111
 DQP  X 402 ( 4.5A)
DQP  X 402 ( 4.0A)
None
DQP  X 402 ( 4.1A)
 0.27A 4jtrB-5liyX:
45.5		 4jtrB-5liyX:
48.77
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.
5ufv GLYCOSIDE HYDROLASE
FAMILY 61 PROTEIN

(Thermothelomyces
thermophila) 		PF03443
(Glyco_hydro_61) 		4 VAL A   4
TYR A   7
TRP A  70
HIS A 155
 None
 1.41A 4jtrB-5ufvA:
undetectable		 4jtrB-5ufvA:
20.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3

(Homo sapiens) 		no annotation 4 TYR A  24
TYR A  55
TRP A  86
HIS A 117
 CJ2  A 402 (-4.2A)
CJ2  A 402 ( 4.1A)
None
CJ2  A 402 ( 3.8A)
 0.27A 4jtrB-6f2uA:
51.6		 4jtrB-6f2uA:
92.50
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.
6gk6 -

(-) 		no annotation 4 TYR A  23
VAL A  48
HIS A  33
TRP A 392
 None
 1.39A 4jtrB-6gk6A:
undetectable		 4jtrB-6gk6A:
undetectable