SIMILAR PATTERNS OF AMINO ACIDS FOR 6NKN_B_CHDB304

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.
1d2e ELONGATION FACTOR TU
(EF-TU)

(Bos taurus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 GLY A 172
GLN A 170
THR A 437
PHE A 206
GLY A 207
 None
 1.33A 6nknA-1d2eA:
0.0
6nknB-1d2eA:
0.0
6nknT-1d2eA:
0.0		 6nknA-1d2eA:
21.96
6nknB-1d2eA:
19.61
6nknT-1d2eA:
12.20
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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		5 MET B 485
GLU B 482
THR B 481
PHE B 531
GLY B 532
 None
 1.21A 6nknA-1k5sB:
0.0
6nknB-1k5sB:
0.0
6nknT-1k5sB:
0.0		 6nknA-1k5sB:
20.53
6nknB-1k5sB:
17.45
6nknT-1k5sB:
12.50
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.
1l1f GLUTAMATE
DEHYDROGENASE 1

(Homo sapiens) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 214
THR A 383
ARG A 269
PHE A 224
GLY A 220
 None
 1.27A 6nknA-1l1fA:
0.0
6nknB-1l1fA:
0.0
6nknT-1l1fA:
0.0		 6nknA-1l1fA:
20.85
6nknB-1l1fA:
17.89
6nknT-1l1fA:
9.74
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.
1zwx SPHINGOMYELINASE-C

(Listeria
ivanovii) 		PF03372
(Exo_endo_phos) 		5 GLY A 136
GLN A 150
THR A 110
PHE A 167
GLY A 183
 None
 1.25A 6nknA-1zwxA:
undetectable
6nknB-1zwxA:
0.0
6nknT-1zwxA:
0.0		 6nknA-1zwxA:
19.15
6nknB-1zwxA:
20.85
6nknT-1zwxA:
12.54
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.
2buf ACETYLGLUTAMATE
KINASE

(Pseudomonas
aeruginosa) 		PF00696
(AA_kinase) 		5 GLY A  67
GLN A  71
GLU A  40
ARG A  90
GLY A 105
 NLG  A1302 (-3.3A)
None
None
NLG  A1302 (-4.3A)
None
 1.45A 6nknA-2bufA:
0.0
6nknB-2bufA:
0.0
6nknT-2bufA:
0.0		 6nknA-2bufA:
22.06
6nknB-2bufA:
21.69
6nknT-2bufA:
14.04
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.
2ddt SPHINGOMYELIN
PHOSPHODIESTERASE

(Bacillus cereus) 		PF03372
(Exo_endo_phos) 		5 GLY A 102
GLN A 116
THR A  75
PHE A 133
GLY A 149
 None
 1.19A 6nknA-2ddtA:
0.0
6nknB-2ddtA:
0.0
6nknT-2ddtA:
0.0		 6nknA-2ddtA:
18.60
6nknB-2ddtA:
19.03
6nknT-2ddtA:
13.07
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 GLY A 146
GLU A 148
THR A 255
ARG A 339
GLY A 240
 None
 1.20A 6nknA-2jbwA:
0.0
6nknB-2jbwA:
0.0
6nknT-2jbwA:
0.0		 6nknA-2jbwA:
21.76
6nknB-2jbwA:
21.21
6nknT-2jbwA:
12.40
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.
2xhy 6-PHOSPHO-BETA-GLUCO
SIDASE BGLA

(Escherichia
coli) 		PF00232
(Glyco_hydro_1) 		5 GLY A 381
TRP A 351
THR A 435
THR A 434
GLY A 350
 None
None
None
SO4  A1481 (-4.0A)
None
 1.37A 6nknA-2xhyA:
0.2
6nknB-2xhyA:
0.0
6nknT-2xhyA:
0.0		 6nknA-2xhyA:
20.62
6nknB-2xhyA:
18.60
6nknT-2xhyA:
10.37
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.
3bt7 TRNA
(URACIL-5-)-METHYLTR
ANSFERASE

(Escherichia
coli) 		PF05958
(tRNA_U5-meth_tr) 		5 MET A 179
GLU A 170
ARG A 230
PHE A 224
GLY A 222
 None
 1.38A 6nknA-3bt7A:
0.0
6nknB-3bt7A:
0.0
6nknT-3bt7A:
0.0		 6nknA-3bt7A:
20.94
6nknB-3bt7A:
20.40
6nknT-3bt7A:
13.92
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.
3bzw PUTATIVE LIPASE

(Bacteroides
thetaiotaomicron) 		PF13472
(Lipase_GDSL_2) 		5 GLY A  87
GLN A  96
THR A  56
ARG A 165
GLY A 116
 ACT  A 301 (-3.3A)
None
None
None
None
 1.37A 6nknA-3bzwA:
undetectable
6nknB-3bzwA:
undetectable
6nknT-3bzwA:
undetectable		 6nknA-3bzwA:
18.49
6nknB-3bzwA:
19.11
6nknT-3bzwA:
14.87
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 MET A 402
GLY A 399
THR A 392
ARG A 375
GLY A 484
 None
 1.43A 6nknA-3cvrA:
1.4
6nknB-3cvrA:
undetectable
6nknT-3cvrA:
undetectable		 6nknA-3cvrA:
22.78
6nknB-3cvrA:
18.50
6nknT-3cvrA:
9.07
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 GLY A 257
TRP A 258
THR A 277
ARG A 233
ARG A 288
 None
 1.35A 6nknA-3eagA:
undetectable
6nknB-3eagA:
undetectable
6nknT-3eagA:
undetectable		 6nknA-3eagA:
23.18
6nknB-3eagA:
21.26
6nknT-3eagA:
13.46
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.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN

(Bacteroides
thetaiotaomicron) 		PF10282
(Lactonase) 		5 GLY A 153
THR A 129
ARG A 112
PHE A 104
GLY A  83
 None
 1.36A 6nknA-3fgbA:
undetectable
6nknB-3fgbA:
undetectable
6nknT-3fgbA:
undetectable		 6nknA-3fgbA:
20.44
6nknB-3fgbA:
21.47
6nknT-3fgbA:
13.33
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.
3k55 BETA-HEMOLYSIN

(Staphylococcus
aureus) 		PF03372
(Exo_endo_phos) 		5 GLY A 101
GLN A 115
THR A  75
PHE A 132
GLY A 148
 None
 1.22A 6nknA-3k55A:
undetectable
6nknB-3k55A:
undetectable
6nknT-3k55A:
undetectable		 6nknA-3k55A:
19.58
6nknB-3k55A:
18.91
6nknT-3k55A:
14.19
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.
3s9b VIPERA RUSSELLI
PROTEINASE RVV-V
GAMMA

(Daboia
siamensis) 		PF00089
(Trypsin) 		5 GLY A  18
ARG A 137
ARG A 135
PHE A 161
GLY A 184
 None
 1.10A 6nknA-3s9bA:
undetectable
6nknB-3s9bA:
undetectable
6nknT-3s9bA:
undetectable		 6nknA-3s9bA:
19.00
6nknB-3s9bA:
21.01
6nknT-3s9bA:
15.53
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.
3wrc GALLATE DIOXYGENASE

(Sphingomonas
paucimobilis) 		PF02900
(LigB)
PF07746
(LigA) 		5 GLN A 277
ARG A 167
ARG A 247
PHE A 274
GLY A   7
 None
 1.00A 6nknA-3wrcA:
undetectable
6nknB-3wrcA:
undetectable
6nknT-3wrcA:
undetectable		 6nknA-3wrcA:
22.00
6nknB-3wrcA:
17.69
6nknT-3wrcA:
10.79
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 214
GLU A 201
THR A 230
THR A 231
GLY A  94
 None
 1.37A 6nknA-3wy7A:
undetectable
6nknB-3wy7A:
undetectable
6nknT-3wy7A:
undetectable		 6nknA-3wy7A:
21.19
6nknB-3wy7A:
19.49
6nknT-3wy7A:
12.93
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.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		5 THR A 698
THR A 675
ARG A 742
PHE A 785
GLY A 782
 None
 1.47A 6nknA-4bqiA:
undetectable
6nknB-4bqiA:
undetectable
6nknT-4bqiA:
undetectable		 6nknA-4bqiA:
19.38
6nknB-4bqiA:
14.81
6nknT-4bqiA:
7.26
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.
4cgy DNA TOPOISOMERASE
3-ALPHA

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 MET A 566
GLY A 565
THR A 544
PHE A 559
GLY A 552
 None
 1.44A 6nknA-4cgyA:
0.3
6nknB-4cgyA:
undetectable
6nknT-4cgyA:
undetectable		 6nknA-4cgyA:
20.21
6nknB-4cgyA:
12.96
6nknT-4cgyA:
9.36
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.
4cr4 26S PROTEASE
REGULATORY SUBUNIT 8
HOMOLOG
26S PROTEASE
REGULATORY SUBUNIT
6B HOMOLOG

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF00004
(AAA) 		5 GLN K  90
GLU J  61
THR K 125
ARG K  81
ARG K  88
 None
 1.23A 6nknA-4cr4K:
undetectable
6nknB-4cr4K:
undetectable
6nknT-4cr4K:
undetectable		 6nknA-4cr4K:
21.30
6nknB-4cr4K:
21.77
6nknT-4cr4K:
12.26
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 597
GLU A 505
THR A 482
PHE A 444
GLY A 643
 None
 1.27A 6nknA-4cu8A:
undetectable
6nknB-4cu8A:
undetectable
6nknT-4cu8A:
undetectable		 6nknA-4cu8A:
20.58
6nknB-4cu8A:
14.29
6nknT-4cu8A:
7.93
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 597
THR A 482
THR A 483
PHE A 444
GLY A 643
 None
 1.42A 6nknA-4cu8A:
undetectable
6nknB-4cu8A:
undetectable
6nknT-4cu8A:
undetectable		 6nknA-4cu8A:
20.58
6nknB-4cu8A:
14.29
6nknT-4cu8A:
7.93
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 GLY A 795
GLU A 444
THR A 488
ARG A 806
GLY A 821
 None
 1.08A 6nknA-4gl2A:
3.3
6nknB-4gl2A:
undetectable
6nknT-4gl2A:
undetectable		 6nknA-4gl2A:
20.84
6nknB-4gl2A:
15.06
6nknT-4gl2A:
6.42
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.
4ix9 V-TYPE PROTON ATPASE
SUBUNIT F

(Saccharomyces
cerevisiae) 		PF01990
(ATP-synt_F) 		5 GLY A  26
THR A  16
THR A  18
ARG A  61
PHE A  38
 TRS  A 101 (-3.5A)
None
None
None
None
 1.45A 6nknA-4ix9A:
undetectable
6nknB-4ix9A:
undetectable
6nknT-4ix9A:
undetectable		 6nknA-4ix9A:
10.32
6nknB-4ix9A:
18.72
6nknT-4ix9A:
19.59
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.
4pel PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase) 		5 MET B 485
GLU B 482
THR B 481
PHE B 531
GLY B 532
 None
 1.23A 6nknA-4pelB:
undetectable
6nknB-4pelB:
undetectable
6nknT-4pelB:
undetectable		 6nknA-4pelB:
21.29
6nknB-4pelB:
17.12
6nknT-4pelB:
9.81
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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 MET A 175
THR A  67
ARG A 253
PHE A 119
GLY A 153
 None
 1.41A 6nknA-4qdgA:
undetectable
6nknB-4qdgA:
undetectable
6nknT-4qdgA:
undetectable		 6nknA-4qdgA:
20.49
6nknB-4qdgA:
23.20
6nknT-4qdgA:
13.97
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.
4x28 ACYL-COA
DEHYDROGENASE
ACYL-COA
DEHYDROGENASE

(Mycobacterium
tuberculosis;
Mycobacterium
tuberculosis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
no annotation 		5 GLY D 311
GLN D 233
ARG A 339
PHE D 352
GLY D 355
 None
 1.17A 6nknA-4x28D:
0.9
6nknB-4x28D:
undetectable
6nknT-4x28D:
undetectable		 6nknA-4x28D:
20.69
6nknB-4x28D:
19.34
6nknT-4x28D:
12.33
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.
5aex AMMONIUM TRANSPORTER
MEP2

(Saccharomyces
cerevisiae) 		PF00909
(Ammonium_transp) 		5 MET A 131
GLY A 130
GLN A  79
THR A 162
PHE A  81
 None
 1.39A 6nknA-5aexA:
0.0
6nknB-5aexA:
undetectable
6nknT-5aexA:
undetectable		 6nknA-5aexA:
24.23
6nknB-5aexA:
17.67
6nknT-5aexA:
11.14
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.
5kod INDOLE-3-ACETIC
ACID-AMIDO
SYNTHETASE GH3.5

(Arabidopsis
thaliana) 		PF03321
(GH3) 		5 GLY A 495
GLN A 319
THR A 323
PHE A 232
GLY A 235
 None
None
None
IAC  A 702 (-4.6A)
None
 1.32A 6nknA-5kodA:
0.1
6nknB-5kodA:
undetectable
6nknT-5kodA:
undetectable		 6nknA-5kodA:
20.72
6nknB-5kodA:
17.51
6nknT-5kodA:
9.60
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		5 GLY A 104
THR A 333
THR A 331
PHE A 182
GLY A 277
 HEM  A 801 (-3.4A)
None
None
None
None
 1.49A 6nknA-5kqiA:
undetectable
6nknB-5kqiA:
undetectable
6nknT-5kqiA:
undetectable		 6nknA-5kqiA:
20.60
6nknB-5kqiA:
16.18
6nknT-5kqiA:
8.52
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.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 GLY A 506
GLN A 689
THR A 707
THR A 731
ARG A 658
 None
None
None
None
CL  A 801 (-3.1A)
 1.13A 6nknA-5u47A:
0.3
6nknB-5u47A:
undetectable
6nknT-5u47A:
undetectable		 6nknA-5u47A:
20.61
6nknB-5u47A:
15.46
6nknT-5u47A:
8.76
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.
5wn9 SCFV 2D10

(Homo sapiens) 		no annotation 5 MET H  48
GLY H  49
GLN H 233
THR H 235
GLY H  97
 None
 1.08A 6nknA-5wn9H:
undetectable
6nknB-5wn9H:
undetectable
6nknT-5wn9H:
undetectable		 6nknA-5wn9H:
undetectable
6nknB-5wn9H:
undetectable
6nknT-5wn9H:
undetectable
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.
6req PROTEIN
(METHYLMALONYL-COA
MUTASE)

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase) 		5 GLY B 400
GLU B 406
THR B 409
PHE B  93
GLY B  96
 None
 1.37A 6nknA-6reqB:
undetectable
6nknB-6reqB:
undetectable
6nknT-6reqB:
undetectable		 6nknA-6reqB:
22.06
6nknB-6reqB:
16.19
6nknT-6reqB:
8.67