SIMILAR PATTERNS OF AMINO ACIDS FOR 6NKN_G_CHDG104

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.
1lqa TAS PROTEIN

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		5 GLY A 218
MET A 187
GLY A 185
GLU A 181
THR A 138
 None
 1.49A 6nknG-1lqaA:
0.0
6nknN-1lqaA:
0.0
6nknO-1lqaA:
undetectable		 6nknG-1lqaA:
14.20
6nknN-1lqaA:
20.68
6nknO-1lqaA:
21.66
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.
2jbw 2,6-DIHYDROXY-PSEUDO
-OXYNICOTINE
HYDROLASE

(Paenarthrobacter
nicotinovorans) 		PF06500
(DUF1100) 		5 ARG A 339
GLY A 240
GLY A 146
GLU A 148
THR A 255
 None
 1.16A 6nknG-2jbwA:
0.0
6nknN-2jbwA:
0.0
6nknO-2jbwA:
0.0		 6nknG-2jbwA:
12.40
6nknN-2jbwA:
21.76
6nknO-2jbwA:
21.21
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 GLY A 174
GLY A 181
GLU A 112
THR A 117
THR A 113
 None
 1.41A 6nknG-2quaA:
0.0
6nknN-2quaA:
0.0
6nknO-2quaA:
0.5		 6nknG-2quaA:
9.09
6nknN-2quaA:
21.91
6nknO-2quaA:
15.42
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.
2va1 URIDYLATE KINASE

(Ureaplasma
parvum) 		PF00696
(AA_kinase) 		5 GLY A  56
MET A  72
GLY A  73
THR A 137
THR A 138
 None
None
None
None
PO4  A1236 (-3.2A)
 1.43A 6nknG-2va1A:
0.0
6nknN-2va1A:
0.0
6nknO-2va1A:
0.0		 6nknG-2va1A:
14.29
6nknN-2va1A:
17.28
6nknO-2va1A:
17.84
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.
3al8 SEMAPHORIN-6A

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI) 		5 ARG A 486
GLY A 441
MET A 488
GLY A 489
THR A 300
 None
 1.23A 6nknG-3al8A:
0.0
6nknN-3al8A:
undetectable
6nknO-3al8A:
0.0		 6nknG-3al8A:
8.99
6nknN-3al8A:
21.01
6nknO-3al8A:
17.63
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.
3cvr INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		5 ARG A 375
GLY A 484
MET A 402
GLY A 399
THR A 392
 None
 1.43A 6nknG-3cvrA:
0.0
6nknN-3cvrA:
1.4
6nknO-3cvrA:
0.0		 6nknG-3cvrA:
9.07
6nknN-3cvrA:
22.78
6nknO-3cvrA:
18.50
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.
3eag UDP-N-ACETYLMURAMATE
:L-ALANYL-GAMMA-D-GL
UTAMYL-MESO-DIAMINOP
IMELATE LIGASE

(Neisseria
meningitidis) 		PF01225
(Mur_ligase)
PF08245
(Mur_ligase_M) 		5 ARG A 233
ARG A 288
GLY A 257
TRP A 258
THR A 277
 None
 1.35A 6nknG-3eagA:
0.0
6nknN-3eagA:
0.0
6nknO-3eagA:
0.0		 6nknG-3eagA:
13.46
6nknN-3eagA:
23.18
6nknO-3eagA:
21.26
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.
3hdj PROBABLE ORNITHINE
CYCLODEAMINASE

(Bordetella
pertussis) 		PF02423
(OCD_Mu_crystall) 		5 ARG A  41
ARG A  38
GLY A  53
GLY A 285
GLU A 233
 None
 1.29A 6nknG-3hdjA:
0.0
6nknN-3hdjA:
0.0
6nknO-3hdjA:
0.0		 6nknG-3hdjA:
12.86
6nknN-3hdjA:
20.63
6nknO-3hdjA:
20.69
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.
3vn3 ANTIFREEZE PROTEIN

(Typhula
ishikariensis) 		PF11999
(DUF3494) 		5 ARG A  97
GLY A 118
TRP A 142
THR A 139
THR A 137
 None
 1.39A 6nknG-3vn3A:
0.0
6nknN-3vn3A:
undetectable
6nknO-3vn3A:
0.0		 6nknG-3vn3A:
17.49
6nknN-3vn3A:
18.09
6nknO-3vn3A:
22.58
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.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 GLY A  94
GLY A 214
GLU A 201
THR A 230
THR A 231
 None
 1.29A 6nknG-3wy7A:
undetectable
6nknN-3wy7A:
0.7
6nknO-3wy7A:
undetectable		 6nknG-3wy7A:
12.93
6nknN-3wy7A:
21.19
6nknO-3wy7A:
19.49
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.
4gl2 INTERFERON-INDUCED
HELICASE C
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 ARG A 806
GLY A 821
GLY A 795
GLU A 444
THR A 488
 None
 1.13A 6nknG-4gl2A:
undetectable
6nknN-4gl2A:
1.6
6nknO-4gl2A:
undetectable		 6nknG-4gl2A:
6.42
6nknN-4gl2A:
20.84
6nknO-4gl2A:
15.06
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.
4p8b TRAP-TYPE
TRANSPORTER,
PERIPLASMIC
COMPONENT

(Cupriavidus
necator) 		PF03480
(DctP) 		5 GLY A  46
GLY A  96
TRP A  45
GLU A  82
THR A  72
 None
 1.36A 6nknG-4p8bA:
undetectable
6nknN-4p8bA:
0.9
6nknO-4p8bA:
undetectable		 6nknG-4p8bA:
13.76
6nknN-4p8bA:
22.56
6nknO-4p8bA:
20.47
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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 534
MET A 543
GLY A 541
GLU A 478
THR A 475
 None
 1.47A 6nknG-5u25A:
undetectable
6nknN-5u25A:
0.3
6nknO-5u25A:
undetectable		 6nknG-5u25A:
9.34
6nknN-5u25A:
20.66
6nknO-5u25A:
15.97