SIMILAR PATTERNS OF AMINO ACIDS FOR 1IHI_A_IU5A326_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
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.
1j5y TRANSCRIPTIONAL
REGULATOR, BIOTIN
REPRESSOR FAMILY

(Thermotoga
maritima) 		PF02829
(3H)
PF08279
(HTH_11) 		5 VAL A  77
HIS A 146
VAL A  75
ILE A 150
LEU A  88
 None
NI  A 201 (-3.4A)
None
None
None
 1.31A 1ihiA-1j5yA:
undetectable		 1ihiA-1j5yA:
20.67
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.
1mwz ZNTA

(Escherichia
coli) 		PF00403
(HMA) 		5 VAL A  35
VAL A  32
ILE A  52
TRP A   8
LEU A  60
 None
 1.46A 1ihiA-1mwzA:
undetectable		 1ihiA-1mwzA:
13.75
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
ILE A 129
GLU A 224
 None
NDP  A1003 (-4.9A)
None
NDP  A1003 (-4.3A)
None
None
 0.38A 1ihiA-1q5mA:
52.3		 1ihiA-1q5mA:
78.88
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.
1tg5 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Arabidopsis
thaliana) 		PF00903
(Glyoxalase) 		5 VAL A 169
TYR A 171
HIS A  27
ILE A  99
LEU A  68
 None
 1.24A 1ihiA-1tg5A:
0.0		 1ihiA-1tg5A:
21.58
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.
1u02 TREHALOSE-6-PHOSPHAT
E PHOSPHATASE
RELATED PROTEIN

(Thermoplasma
acidophilum) 		PF02358
(Trehalose_PPase) 		5 VAL A 115
TYR A  93
ILE A 134
TRP A  99
LEU A 106
 None
 1.46A 1ihiA-1u02A:
0.2		 1ihiA-1u02A:
21.10
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.
1vqs HYPOTHETICAL PROTEIN
AGR_L_1239

(Agrobacterium
fabrum) 		PF07978
(NIPSNAP) 		5 TYR A   8
VAL A  22
ILE A  27
TRP A  55
LEU A  70
 None
 1.43A 1ihiA-1vqsA:
0.0		 1ihiA-1vqsA:
15.38
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.
1vqy HYPOTHETICAL PROTEIN
AGR_PAT_315

(Agrobacterium
fabrum) 		PF07978
(NIPSNAP) 		5 TYR A   8
VAL A  22
ILE A  27
TRP A  55
LEU A  70
 None
 1.39A 1ihiA-1vqyA:
0.0		 1ihiA-1vqyA:
17.03
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.
1zk7 MERCURIC REDUCTASE

(Pseudomonas
aeruginosa) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 VAL A 181
VAL A 202
ILE A 231
GLU A 190
LEU A 210
 None
None
None
FAD  A 666 ( 4.7A)
None
 1.43A 1ihiA-1zk7A:
0.7		 1ihiA-1zk7A:
23.14
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.
2ap6 HYPOTHETICAL PROTEIN
ATU4242

(Agrobacterium
fabrum) 		PF07978
(NIPSNAP) 		5 TYR A   8
VAL A  22
ILE A  27
TRP A  55
LEU A  70
 None
 1.41A 1ihiA-2ap6A:
0.0		 1ihiA-2ap6A:
14.15
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.
2fel 3-CARBOXY-CIS,CIS-MU
CONATE LACTONIZING
ENZYME

(Agrobacterium
tumefaciens) 		PF00206
(Lyase_1) 		5 VAL A 111
VAL A  83
ILE A  87
GLU A  44
LEU A  62
 None
 1.23A 1ihiA-2felA:
undetectable		 1ihiA-2felA:
22.72
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
HIS A 117
TRP A 227
LEU A 306
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
 1.45A 1ihiA-2ipjA:
55.3		 1ihiA-2ipjA:
99.69
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) 		9 VAL A  54
TYR A  55
TRP A  86
HIS A 117
VAL A 128
ILE A 129
GLU A 224
TRP A 227
LEU A 308
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
None
None
None
FFA  A 325 (-3.8A)
FFA  A 325 (-4.5A)
 0.57A 1ihiA-2ipjA:
55.3		 1ihiA-2ipjA:
99.69
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.
2nyk M157

(Murid
betaherpesvirus
1) 		PF11624
(M157) 		5 VAL A 123
TYR A 125
HIS A 116
VAL A 121
LEU A  86
 None
 1.46A 1ihiA-2nykA:
undetectable		 1ihiA-2nykA:
23.26
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.
2wym L-ASCORBATE-6-PHOSPH
ATE LACTONASE ULAG

(Escherichia
coli) 		PF13483
(Lactamase_B_3) 		5 VAL A 113
VAL A 131
ILE A 107
TRP A  49
LEU A  43
 None
None
GOL  A1343 (-3.9A)
GOL  A1343 ( 4.9A)
None
 1.21A 1ihiA-2wymA:
0.5		 1ihiA-2wymA:
22.08
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.
3bv6 METAL-DEPENDENT
HYDROLASE

(Vibrio cholerae) 		PF13483
(Lactamase_B_3) 		5 VAL A 113
VAL A 131
ILE A 107
TRP A  49
LEU A  43
 None
 1.23A 1ihiA-3bv6A:
0.6		 1ihiA-3bv6A:
21.59
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.
3coi MITOGEN-ACTIVATED
PROTEIN KINASE 13

(Homo sapiens) 		PF00069
(Pkinase) 		5 TYR A 132
VAL A 131
VAL A 209
ILE A 206
GLU A 317
 None
 1.31A 1ihiA-3coiA:
undetectable		 1ihiA-3coiA:
22.82
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.
3gu0 TRIGGER FACTOR

(Thermotoga
maritima) 		PF05697
(Trigger_N)
PF05698
(Trigger_C) 		5 VAL A 339
VAL A 283
ILE A 282
GLU A 404
LEU A 275
 None
 1.15A 1ihiA-3gu0A:
undetectable		 1ihiA-3gu0A:
22.63
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.
4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 VAL A 331
VAL A 343
ILE A 450
GLU A 477
LEU A 439
 None
 1.37A 1ihiA-4bubA:
undetectable		 1ihiA-4bubA:
21.64
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.
4gcm THIOREDOXIN
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		5 VAL A 149
VAL A 170
ILE A 195
GLU A 158
LEU A 179
 None
 1.44A 1ihiA-4gcmA:
1.1		 1ihiA-4gcmA:
21.68
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 VAL A  47
TYR A  48
TRP A  79
HIS A 110
LEU A 295
 None
 0.85A 1ihiA-4hbkA:
44.1		 1ihiA-4hbkA:
40.85
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.
4j0m SERINE/THREONINE-PRO
TEIN KINASE
BRI1-LIKE 1

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 VAL A 146
TYR A 145
VAL A 156
ILE A 158
LEU A  93
 None
 1.48A 1ihiA-4j0mA:
undetectable		 1ihiA-4j0mA:
16.64
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.
6brd RIFAMPIN
MONOOXYGENASE

(Streptomyces
venezuelae) 		no annotation 5 VAL A 157
VAL A 147
ILE A   5
GLU A  31
LEU A 136
 None
None
None
FAD  A 501 (-2.5A)
None
 1.47A 1ihiA-6brdA:
1.1		 1ihiA-6brdA:
13.56