SIMILAR PATTERNS OF AMINO ACIDS FOR 2INE_A_PACA317_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.
1pz1 GENERAL STRESS
PROTEIN 69

(Bacillus
subtilis) 		PF00248
(Aldo_ket_red) 		4 TRP A  21
TYR A  57
HIS A 125
TRP A 126
 None
None
NAP  A 500 ( 4.8A)
None
 0.64A 2ineA-1pz1A:
25.7		 2ineA-1pz1A:
26.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vbj PROSTAGLANDIN F
SYNTHASE

(Trypanosoma
brucei) 		PF00248
(Aldo_ket_red) 		4 TRP A  23
TYR A  52
HIS A 110
TRP A 111
 CIT  A4001 ( 3.8A)
CIT  A4001 ( 4.2A)
CIT  A4001 ( 3.7A)
CIT  A4001 (-4.4A)
 0.20A 2ineA-1vbjA:
39.0		 2ineA-1vbjA:
39.81
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) 		4 TRP A  32
TYR A  60
HIS A 121
TRP A 122
 BCT  A1322 ( 3.3A)
BCT  A1322 ( 4.4A)
BCT  A1322 ( 3.9A)
BCT  A1322 (-4.3A)
 0.25A 2ineA-2bgsA:
42.2		 2ineA-2bgsA:
38.39
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 TRP A  20
VAL A  47
TYR A  48
HIS A 110
TRP A 111
 2CL  A 317 ( 3.4A)
2CL  A 317 (-4.2A)
2CL  A 317 ( 4.5A)
2CL  A 317 ( 3.8A)
NAP  A 316 ( 4.0A)
 0.10A 2ineA-2is7A:
55.3		 2ineA-2is7A:
99.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h7u ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		4 TRP A  24
TYR A  52
HIS A 114
TRP A 115
 ACT  A 501 ( 3.2A)
ACT  A 501 ( 4.4A)
ACT  A 501 ( 3.8A)
NAP  A 401 ( 3.9A)
 0.17A 2ineA-3h7uA:
44.2		 2ineA-3h7uA:
41.95
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) 		5 TRP A  12
VAL A  39
TYR A  40
HIS A 104
TRP A 105
 UNX  A 402 (-4.3A)
None
UNX  A 402 (-4.4A)
UNX  A 402 (-4.1A)
NAP  A 400 ( 4.3A)
 0.21A 2ineA-3krbA:
41.1		 2ineA-3krbA:
40.53
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.
3n2t PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF00248
(Aldo_ket_red) 		4 VAL A  58
TYR A  59
HIS A 130
TRP A 131
 None
 0.36A 2ineA-3n2tA:
27.3		 2ineA-3n2tA:
24.94
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) 		4 TRP A  41
TYR A  69
HIS A 127
TRP A 128
 GOL  A 300 (-4.5A)
GOL  A 300 (-4.7A)
GOL  A 300 (-4.1A)
GOL  A 300 ( 4.8A)
 0.91A 2ineA-3o0kA:
35.2		 2ineA-3o0kA:
34.43
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 TRP A  21
VAL A  48
TYR A  49
HIS A 111
 None
None
NAP  A 317 (-4.9A)
NAP  A 317 (-4.3A)
 0.33A 2ineA-3o3rA:
50.1		 2ineA-3o3rA:
68.67
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.
3qpq C1068 HEAVY CHAIN

(Homo sapiens;
Mus musculus) 		no annotation 4 TRP H  33
VAL H  99
HIS H  35
TRP H  47
 None
 1.42A 2ineA-3qpqH:
undetectable		 2ineA-3qpqH:
20.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4f40 PROSTAGLANDIN
F2-ALPHA
SYNTHASE/D-ARABINOSE
DEHYDROGENASE

(Leishmania
major) 		PF00248
(Aldo_ket_red) 		4 TRP A  25
TYR A  54
HIS A 112
TRP A 113
 EDO  A 308 (-4.0A)
EDO  A 308 (-4.4A)
EDO  A 308 (-4.1A)
EDO  A 308 ( 4.3A)
 0.71A 2ineA-4f40A:
38.4		 2ineA-4f40A:
41.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fzi PROSTAGLANDIN F
SYNTHASE

(Trypanosoma
cruzi) 		PF00248
(Aldo_ket_red) 		4 TRP A  24
TYR A  53
HIS A 111
TRP A 112
 GLU  A 301 (-3.5A)
GLU  A 301 (-4.4A)
GLU  A 301 (-3.8A)
GLU  A 301 (-4.1A)
 0.45A 2ineA-4fziA:
37.3		 2ineA-4fziA:
38.91
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
HIS A 110
TRP A 111
 None
 0.36A 2ineA-4hbkA:
45.9		 2ineA-4hbkA:
48.78
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) 		4 TRP A  31
TYR A  59
HIS A 120
TRP A 121
 EDO  A 402 ( 3.2A)
6KB  A 401 ( 4.6A)
6KB  A 401 ( 4.0A)
6KB  A 401 ( 4.4A)
 0.34A 2ineA-5jgyA:
41.8		 2ineA-5jgyA:
39.71
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 TRP X  21
VAL X  48
TYR X  49
HIS X 111
 DQP  X 402 ( 3.5A)
DQP  X 402 ( 4.5A)
DQP  X 402 ( 4.0A)
DQP  X 402 ( 4.1A)
 0.40A 2ineA-5liyX:
50.2		 2ineA-5liyX:
70.79