SIMILAR PATTERNS OF AMINO ACIDS FOR 1Q72_H_COCH401_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.
1p31 UDP-N-ACETYLMURAMATE
--ALANINE LIGASE

(Haemophilus
influenzae) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 VAL A 188
GLN A 245
GLY A 224
HIS A 119
TYR A 140
 None
 1.33A 1q72H-1p31A:
0.0
1q72L-1p31A:
0.0		 1q72H-1p31A:
21.45
1q72L-1p31A:
16.63
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.
2cyb TYROSYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF00579
(tRNA-synt_1b) 		5 VAL A  37
GLN A 162
GLY A 176
HIS A  46
PHE A  97
 None
 1.48A 1q72H-2cybA:
0.0
1q72L-2cybA:
0.0		 1q72H-2cybA:
22.36
1q72L-2cybA:
20.73
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.
3afe HYDROXYLASE,
PUTATIVE

(Mycobacterium
tuberculosis) 		PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 ASN A 371
VAL A 394
GLN A 326
GLY A 234
HIS A  92
 None
 1.39A 1q72H-3afeA:
0.0
1q72L-3afeA:
0.0		 1q72H-3afeA:
18.43
1q72L-3afeA:
19.01
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.
3b59 GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Novosphingobium
aromaticivorans) 		PF00903
(Glyoxalase) 		5 ASN A 234
GLN A 276
GLY A 228
HIS A 198
TYR A 239
 None
None
None
MN  A 602 (-3.3A)
MN  A 602 (-4.6A)
 1.42A 1q72H-3b59A:
0.0
1q72L-3b59A:
0.0		 1q72H-3b59A:
22.46
1q72L-3b59A:
19.14
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.
3gdb PUTATIVE
UNCHARACTERIZED
PROTEIN SPR0440

(Streptococcus
pneumoniae) 		PF03644
(Glyco_hydro_85) 		5 TRP A 264
ASN A 231
VAL A 262
GLY A 286
TYR A 373
 None
 1.38A 1q72H-3gdbA:
3.9
1q72L-3gdbA:
1.9		 1q72H-3gdbA:
13.47
1q72L-3gdbA:
13.14
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.
3koy D-ORNITHINE
AMINOMUTASE E
COMPONENT

(Acetoanaerobium
sticklandii) 		PF02310
(B12-binding)
PF09043
(Lys-AminoMut_A)
PF16554
(OAM_dimer) 		5 VAL A 130
GLY A 129
HIS A 182
TYR A 160
TYR A 157
 None
None
Z97  A 767 (-4.0A)
Z97  A 767 (-4.7A)
None
 1.46A 1q72H-3koyA:
2.2
1q72L-3koyA:
0.0		 1q72H-3koyA:
14.70
1q72L-3koyA:
13.40
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 VAL A1579
GLN A1478
GLY A1581
HIS A1659
PHE A1521
 None
 1.29A 1q72H-3va7A:
0.3
1q72L-3va7A:
0.0		 1q72H-3va7A:
10.67
1q72L-3va7A:
11.11
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 GLN A   4
GLY A   3
HIS A  80
HIS B1161
PHE B1180
 None
None
ZN  A1802 (-3.1A)
None
None
 1.45A 1q72H-5ip9A:
1.3
1q72L-5ip9A:
1.7		 1q72H-5ip9A:
8.53
1q72L-5ip9A:
8.19
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.
5mjk THIOREDOXIN
REDUCTASE

(Lactococcus
lactis) 		PF07992
(Pyr_redox_2) 		5 VAL A 170
GLN A 145
GLY A 167
TYR A 162
TYR A 237
 None
 1.18A 1q72H-5mjkA:
undetectable
1q72L-5mjkA:
undetectable		 1q72H-5mjkA:
19.69
1q72L-5mjkA:
20.92
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.
5olt -

(-) 		no annotation 5 ASN A 241
VAL A 336
GLY A 340
HIS A 295
TYR A 299
 None
 1.49A 1q72H-5oltA:
undetectable
1q72L-5oltA:
undetectable		 1q72H-5oltA:
undetectable
1q72L-5oltA:
undetectable