SIMILAR PATTERNS OF AMINO ACIDS FOR 4YVX_A_GMRA401_1

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c9w CHO REDUCTASE

(Cricetulus
griseus) 		PF00248
(Aldo_ket_red) 		5 TYR A  48
TRP A  79
HIS A 110
LEU A 115
ASN A 160
 NAP  A 350 (-4.8A)
None
NAP  A 350 (-4.0A)
None
NAP  A 350 (-3.2A)
 0.36A 4yvxA-1c9wA:
45.6		 4yvxA-1c9wA:
46.73
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.
1nlr ENDO-1,4-BETA-GLUCAN
ASE

(Streptomyces
lividans) 		PF01670
(Glyco_hydro_12) 		5 TYR A  57
SER A  70
LEU A  75
PHE A 216
SER A  87
 None
 1.22A 4yvxA-1nlrA:
undetectable		 4yvxA-1nlrA:
22.26
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) 		6 TYR A  24
TYR A  55
TRP A  86
HIS A 117
LEU A 122
ASN A 167
 None
NDP  A1003 (-4.9A)
None
NDP  A1003 (-4.3A)
None
NDP  A1003 (-3.4A)
 0.52A 4yvxA-1q5mA:
51.2		 4yvxA-1q5mA:
77.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ral 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		6 LEU A  54
TYR A  55
TRP A  86
HIS A 117
LEU A 122
ASN A 167
 None
 0.74A 4yvxA-1ralA:
41.5		 4yvxA-1ralA:
70.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bgs ALDOSE REDUCTASE

(Hordeum vulgare) 		PF00248
(Aldo_ket_red) 		5 TYR A  60
TRP A  90
HIS A 121
LEU A 126
ASN A 167
 BCT  A1322 ( 4.4A)
None
BCT  A1322 ( 3.9A)
None
NDP  A1321 (-3.3A)
 0.22A 4yvxA-2bgsA:
39.5		 4yvxA-2bgsA:
34.44
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) 		7 TYR A  24
LEU A  54
TYR A  55
TRP A  86
HIS A 117
LEU A 122
ASN A 167
 None
None
NAP  A1001 (-4.7A)
None
NAP  A1001 (-4.4A)
None
NAP  A1001 (-3.1A)
 0.24A 4yvxA-2fvlA:
51.6		 4yvxA-2fvlA:
84.21
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) 		5 TYR A  55
TRP A  86
HIS A 117
LEU A 122
ASN A 167
 FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
None
NAP  A   1 (-3.3A)
 0.26A 4yvxA-2ipfA:
50.5		 4yvxA-2ipfA:
72.41
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) 		5 TYR A  48
TRP A  79
HIS A 110
ASN A 160
SER A 302
 2CL  A 317 ( 4.5A)
None
2CL  A 317 ( 3.8A)
NAP  A 316 (-3.4A)
None
 0.90A 4yvxA-2is7A:
46.2		 4yvxA-2is7A:
48.15
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) 		6 TYR A  24
TYR A  48
TRP A  79
HIS A 110
LEU A 115
ASN A 155
 ACT  A 501 ( 4.0A)
ACT  A 501 ( 4.3A)
None
ACT  A 501 ( 4.0A)
None
NAP  A 401 (-3.4A)
 0.51A 4yvxA-3h7rA:
40.7		 4yvxA-3h7rA:
39.71
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) 		5 TYR A  24
TYR A  55
TRP A  86
HIS A 117
ASN A 167
 MLY  A  25 (-3.6A)
NAD  A 327 ( 4.7A)
None
MRD  A 328 ( 3.9A)
NAD  A 327 (-3.3A)
 0.42A 4yvxA-3ln3A:
49.4		 4yvxA-3ln3A:
64.71
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.
3mca ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3) 		5 LEU A 378
TYR A 379
TRP A 330
SER A 363
SER A 331
 None
 1.42A 4yvxA-3mcaA:
undetectable		 4yvxA-3mcaA:
20.54
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) 		5 TYR A  49
TRP A  80
HIS A 111
LEU A 116
ASN A 161
 NAP  A 317 (-4.9A)
None
NAP  A 317 (-4.3A)
None
NAP  A 317 (-3.1A)
 0.22A 4yvxA-3o3rA:
44.7		 4yvxA-3o3rA:
45.82
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.
3sfy CRYPTOCOCCUS
NEOFORMANS PROTEIN
FARNESYLTRANSFERASE
ALPHA SUBUNIT

(Cryptococcus
neoformans) 		PF01239
(PPTA) 		5 TYR A 150
LEU A 151
TRP A 192
LEU A 196
SER A 159
 None
 1.42A 4yvxA-3sfyA:
undetectable		 4yvxA-3sfyA:
22.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wbx PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE

(Gluconobacter
oxydans) 		PF00248
(Aldo_ket_red) 		5 LEU A  57
TYR A  58
TRP A  81
HIS A 112
ASN A 144
 None
 0.51A 4yvxA-3wbxA:
35.5		 4yvxA-3wbxA:
35.58
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) 		5 TYR A  48
TRP A  79
HIS A 110
LEU A 115
ASN A 160
 None
 0.47A 4yvxA-4hbkA:
43.0		 4yvxA-4hbkA:
39.94
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.
4jge RED FLUORESCENT
PROTEIN BLFP-R5

(Branchiostoma
lanceolatum) 		PF01353
(GFP) 		5 TYR A 168
TYR A 160
LEU A  46
SER A  47
ASN A  56
 None
 1.39A 4yvxA-4jgeA:
undetectable		 4yvxA-4jgeA:
19.63
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.
4x90 GROUP XV
PHOSPHOLIPASE A2

(Homo sapiens) 		PF02450
(LCAT) 		5 LEU A 363
TYR A 104
HIS A 164
LEU A 354
ASN A 168
 None
None
None
NAG  A 404 (-4.0A)
None
 1.37A 4yvxA-4x90A:
undetectable		 4yvxA-4x90A:
21.17
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.
5c59 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Escherichia
coli) 		PF12704
(MacB_PCD) 		5 LEU A  40
TYR A  37
SER A 175
SER A  51
ASN A 174
 None
 1.23A 4yvxA-5c59A:
undetectable		 4yvxA-5c59A:
21.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jgy ALDOSE REDUCTASE,
AKR4C13

(Zea mays) 		PF00248
(Aldo_ket_red) 		5 TYR A  59
TRP A  89
HIS A 120
LEU A 125
ASN A 166
 6KB  A 401 ( 4.6A)
None
6KB  A 401 ( 4.0A)
None
6KB  A 401 (-3.5A)
 0.27A 4yvxA-5jgyA:
39.6		 4yvxA-5jgyA:
37.65
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.
5udh E3 UBIQUITIN-PROTEIN
LIGASE ARIH1

(Homo sapiens) 		PF01485
(IBR) 		5 LEU A 472
TYR A 476
HIS A 424
SER A 427
LEU A 465
 None
 1.50A 4yvxA-5udhA:
undetectable		 4yvxA-5udhA:
21.07
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.
5w2h INOSITOL
POLYPHOSPHATE
MULTIKINASE,INOSITOL
POLYPHOSPHATE
MULTIKINASE

(Homo sapiens) 		PF03770
(IPK) 		5 TYR A  94
LEU A 106
TRP A 239
PHE A 276
SER A 251
 None
 1.44A 4yvxA-5w2hA:
undetectable		 4yvxA-5w2hA:
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.
6bqc CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Escherichia
coli) 		no annotation 5 LEU A 321
TRP A 324
SER A 138
LEU A 131
PHE A 286
 LOP  A 402 ( 4.3A)
None
CO3  A 401 (-4.5A)
None
LOP  A 402 (-3.0A)
 1.33A 4yvxA-6bqcA:
undetectable		 4yvxA-6bqcA:
12.38
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 9 TYR A  24
LEU A  54
TYR A  55
TRP A  86
HIS A 117
SER A 118
ASN A 167
TRP A 227
PHE A 306
 CJ2  A 402 (-4.2A)
None
CJ2  A 402 ( 4.1A)
None
CJ2  A 402 ( 3.8A)
CJ2  A 402 ( 3.7A)
NAP  A 401 ( 3.3A)
CJ2  A 402 ( 4.8A)
CJ2  A 402 (-3.8A)
 0.92A 4yvxA-6f2uA:
52.8		 4yvxA-6f2uA:
100.00
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 10 TYR A  24
LEU A  54
TYR A  55
TRP A  86
HIS A 117
SER A 118
LEU A 122
SER A 129
ASN A 167
PHE A 306
 CJ2  A 402 (-4.2A)
None
CJ2  A 402 ( 4.1A)
None
CJ2  A 402 ( 3.8A)
CJ2  A 402 ( 3.7A)
None
None
NAP  A 401 ( 3.3A)
CJ2  A 402 (-3.8A)
 0.49A 4yvxA-6f2uA:
52.8		 4yvxA-6f2uA:
100.00
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.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 5 LEU A2269
TYR A2035
LEU A2454
SER A2457
PHE A2021
 None
 1.25A 4yvxA-6fayA:
undetectable		 4yvxA-6fayA:
15.18
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.
6g72 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2

(Mus musculus) 		no annotation 5 LEU N 248
TYR N 293
SER N 299
LEU N 241
SER N 224
 None
 1.44A 4yvxA-6g72N:
undetectable		 4yvxA-6g72N:
14.73