SIMILAR PATTERNS OF AMINO ACIDS FOR 4YVX_B_GMRB401_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)
 0.35A 4yvxB-1c9wA:
45.6		 4yvxB-1c9wA:
46.73
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)
 0.41A 4yvxB-1q5mA:
50.9		 4yvxB-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
 0.75A 4yvxB-1ralA:
41.4		 4yvxB-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)
 0.19A 4yvxB-2bgsA:
39.3		 4yvxB-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) 		8 TYR A  24
LEU A  54
TYR A  55
TRP A  86
HIS A 117
MET A 120
LEU A 122
ASN A 167
 None
None
NAP  A1001 (-4.7A)
None
NAP  A1001 (-4.4A)
None
None
NAP  A1001 (-3.1A)
 0.41A 4yvxB-2fvlA:
51.4		 4yvxB-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) 		6 TYR A  55
TRP A  86
HIS A 117
MET A 120
LEU A 122
ASN A 167
 FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
None
None
NAP  A   1 (-3.3A)
 0.41A 4yvxB-2ipfA:
50.2		 4yvxB-2ipfA:
72.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 TYR A  26
TYR A  58
TRP A  89
MET A 123
ASN A 170
 CI2  A 328 ( 4.0A)
CI2  A 328 ( 4.5A)
None
None
NAP  A 327 (-3.6A)
 0.50A 4yvxB-3cavA:
48.4		 4yvxB-3cavA:
55.52
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.
3fqd 5'-3'
EXORIBONUCLEASE 2

(Schizosaccharomyces
pombe) 		PF03159
(XRN_N) 		5 TYR A 368
MET A 240
LEU A 300
TRP A 358
PHE A 329
 None
 1.47A 4yvxB-3fqdA:
undetectable		 4yvxB-3fqdA:
16.78
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)
 0.40A 4yvxB-3h7rA:
40.4		 4yvxB-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)
 0.33A 4yvxB-3ln3A:
49.0		 4yvxB-3ln3A:
64.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o0k ALDO/KETO REDUCTASE

(Brucella
abortus) 		PF00248
(Aldo_ket_red) 		5 TYR A  69
TRP A  96
HIS A 127
MET A 130
ASN A 159
 GOL  A 300 (-4.7A)
None
GOL  A 300 (-4.1A)
None
GOL  A 300 ( 3.5A)
 0.65A 4yvxB-3o0kA:
35.7		 4yvxB-3o0kA:
39.21
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)
 0.20A 4yvxB-3o3rA:
44.7		 4yvxB-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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		5 LEU B1087
HIS B1025
SER B1016
LEU B 904
ASN B1080
 None
 1.45A 4yvxB-3p8cB:
undetectable		 4yvxB-3p8cB:
15.28
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.
3tw0 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF00092
(VWA) 		5 LEU A 227
TYR A 272
HIS A 381
LEU A 378
PHE A 520
 None
 1.38A 4yvxB-3tw0A:
undetectable		 4yvxB-3tw0A:
24.30
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 4yvxB-3wbxA:
35.5		 4yvxB-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 4yvxB-4hbkA:
43.0		 4yvxB-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
 1.38A 4yvxB-4jgeA:
undetectable		 4yvxB-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
 1.32A 4yvxB-4x90A:
undetectable		 4yvxB-4x90A:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5az0 UNCHARACTERIZED
PROTEIN

(Bombyx mori) 		PF00248
(Aldo_ket_red) 		5 TYR A  75
TRP A 106
HIS A 137
MET A 140
ASN A 176
 ACT  A 405 (-4.7A)
None
None
None
None
 0.80A 4yvxB-5az0A:
39.8		 4yvxB-5az0A:
33.15
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)
 0.24A 4yvxB-5jgyA:
39.5		 4yvxB-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.
6eux POLYMERASE BASIC
PROTEIN 2

(Influenza B
virus) 		no annotation 5 TYR A 474
LEU A 476
TYR A 453
SER A 444
ASN A 445
 None
 1.44A 4yvxB-6euxA:
undetectable		 4yvxB-6euxA:
13.76
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 6 TYR A  24
LEU A  54
TYR A  55
HIS A 117
SER A  87
TRP A 227
 CJ2  A 402 (-4.2A)
None
CJ2  A 402 ( 4.1A)
CJ2  A 402 ( 3.8A)
None
CJ2  A 402 ( 4.8A)
 1.49A 4yvxB-6f2uA:
53.0		 4yvxB-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
MET A 120
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)
CJ2  A 402 ( 4.7A)
NAP  A 401 ( 3.3A)
CJ2  A 402 ( 4.8A)
CJ2  A 402 (-3.8A)
 0.82A 4yvxB-6f2uA:
53.0		 4yvxB-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 11 TYR A  24
LEU A  54
TYR A  55
TRP A  86
HIS A 117
SER A 118
MET A 120
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)
CJ2  A 402 ( 4.7A)
None
None
NAP  A 401 ( 3.3A)
CJ2  A 402 (-3.8A)
 0.34A 4yvxB-6f2uA:
53.0		 4yvxB-6f2uA:
100.00