SIMILAR PATTERNS OF AMINO ACIDS FOR 4KJJ_A_FOLA201_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.
1lua METHYLENE
TETRAHYDROMETHANOPTE
RIN DEHYDROGENASE

(Methylobacterium
extorquens) 		PF09176
(Mpt_N) 		4 ASP A  95
LEU A  94
ARG A 167
THR A 101
 None
 1.44A 4kjjA-1luaA:
undetectable		 4kjjA-1luaA:
18.82
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.
1n61 CARBON MONOXIDE
DEHYDROGENASE MEDIUM
CHAIN

(Oligotropha
carboxidovorans) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 ASP C 124
LEU C 100
ARG C 281
THR C 217
 FAD  C3932 (-3.8A)
None
None
None
 1.36A 4kjjA-1n61C:
undetectable		 4kjjA-1n61C:
19.86
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.
1rfe HYPOTHETICAL PROTEIN
RV2991

(Mycobacterium
tuberculosis) 		PF01243
(Putative_PNPOx) 		4 ASP A  82
LEU A 152
ARG A   6
THR A  80
 None
 1.46A 4kjjA-1rfeA:
undetectable		 4kjjA-1rfeA:
17.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		4 ASP A  27
LEU A  28
ARG A  57
THR A 115
 None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.3A)
None
 0.58A 4kjjA-1zdrA:
24.1		 4kjjA-1zdrA:
40.49
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.
2au1 IGG-DEGRADING
PROTEASE

(Streptococcus
pyogenes) 		PF09028
(Mac-1) 		4 ASP A  90
LEU A  93
ARG A 259
THR A  85
 None
None
BME  A 400 (-3.6A)
None
 1.43A 4kjjA-2au1A:
undetectable		 4kjjA-2au1A:
17.01
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.
2cuk GLYCERATE
DEHYDROGENASE/GLYOXY
LATE REDUCTASE

(Thermus
thermophilus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ASP A  53
LEU A  37
ARG A   2
THR A  50
 None
 1.30A 4kjjA-2cukA:
2.3		 4kjjA-2cukA:
19.48
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.
2id3 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF16859
(TetR_C_11) 		4 ASP A  89
LEU A  90
ARG A 134
THR A  83
 None
None
CL  A 610 ( 4.6A)
None
 1.39A 4kjjA-2id3A:
undetectable		 4kjjA-2id3A:
19.74
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.
2nrj HBL B PROTEIN

(Bacillus cereus) 		PF05791
(Bacillus_HBL) 		4 ASP A 326
LEU A  26
ARG A  21
THR A 322
 None
 1.39A 4kjjA-2nrjA:
undetectable		 4kjjA-2nrjA:
17.94
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 ASP A  32
LEU A  33
ARG A  70
THR A 134
 MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 3.1A)
MTX  A 605 ( 4.2A)
 0.36A 4kjjA-2oipA:
20.5		 4kjjA-2oipA:
16.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		4 ASP A  31
LEU A  32
ARG A  64
THR A 121
 VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.7A)
 0.60A 4kjjA-2w3wA:
24.2		 4kjjA-2w3wA:
34.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		4 ASP A  27
LEU A  28
ARG A  57
THR A 111
 TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 ( 4.5A)
 0.50A 4kjjA-2w9sA:
24.8		 4kjjA-2w9sA:
38.51
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.
2xj9 MIPZ

(Caulobacter
vibrioides) 		PF09140
(MipZ) 		4 ASP A 236
LEU A  66
ARG A  56
THR A 233
 None
 1.20A 4kjjA-2xj9A:
5.0		 4kjjA-2xj9A:
20.34
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.
2z8z LIPASE

(Pseudomonas sp.
MIS38) 		PF00353
(HemolysinCabind) 		4 ASP A  33
LEU A  32
ARG A 106
THR A 316
 None
 1.11A 4kjjA-2z8zA:
undetectable		 4kjjA-2z8zA:
13.27
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		4 ASP A  26
LEU A  27
ARG A  57
THR A 116
 MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.38A 4kjjA-3dfrA:
23.1		 4kjjA-3dfrA:
29.27
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.
3gsi N,N-DIMETHYLGLYCINE
OXIDASE

(Arthrobacter
globiformis) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		4 ASP A 389
LEU A 385
ARG A 380
THR A 391
 None
 1.49A 4kjjA-3gsiA:
undetectable		 4kjjA-3gsiA:
10.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		4 ASP X  27
LEU X  28
ARG X  57
THR X 111
 N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
None
N22  X 219 (-4.4A)
 0.55A 4kjjA-3i8aX:
25.0		 4kjjA-3i8aX:
37.50
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.
3jwj HEN1

(Trichormus
variabilis) 		PF08242
(Methyltransf_12) 		4 ASP A 286
LEU A 295
ARG A 336
THR A 358
 None
 1.43A 4kjjA-3jwjA:
undetectable		 4kjjA-3jwjA:
23.90
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.
3n0c THYMIDYLATE SYNTHASE
THYX

(Thermotoga
maritima) 		PF02511
(Thy1) 		4 ASP A  20
LEU A  21
ARG A  28
THR A 201
 None
 1.49A 4kjjA-3n0cA:
undetectable		 4kjjA-3n0cA:
22.69
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.
3r8x METHIONYL-TRNA
FORMYLTRANSFERASE

(Yersinia pestis) 		PF00551
(Formyl_trans_N)
PF02911
(Formyl_trans_C) 		4 ASP A 143
LEU A 100
ARG A  70
THR A 148
 None
 1.49A 4kjjA-3r8xA:
undetectable		 4kjjA-3r8xA:
18.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		4 ASP A  28
LEU A  29
ARG A  58
THR A 115
 MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.29A 4kjjA-3tq9A:
25.0		 4kjjA-3tq9A:
43.98
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.
3wsy SORTILIN-RELATED
RECEPTOR

(Homo sapiens) 		PF15901
(Sortilin_C)
PF15902
(Sortilin-Vps10) 		4 ASP A 445
LEU A 644
ARG A 416
THR A 449
 None
 1.49A 4kjjA-3wsyA:
undetectable		 4kjjA-3wsyA:
14.22
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.
4gys ALLOPHANATE
HYDROLASE

(Granulibacter
bethesdensis) 		PF01425
(Amidase) 		4 ASP A  57
LEU A  56
ARG A  44
THR A  19
 None
 1.22A 4kjjA-4gysA:
undetectable		 4kjjA-4gysA:
16.35
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.
4lu6 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE REBH

(Lechevalieria
aerocolonigenes) 		PF04820
(Trp_halogenase) 		4 ASP A 195
LEU A  37
ARG A 231
THR A 215
 None
 1.22A 4kjjA-4lu6A:
undetectable		 4kjjA-4lu6A:
14.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		4 ASP A  27
LEU A  28
ARG A  58
THR A 116
 RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.51A 4kjjA-4m7vA:
23.9		 4kjjA-4m7vA:
37.71
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.
5d8m METAGENOMIC CARBOXYL
ESTERASE MGS0156

(uncultured
organism) 		no annotation 4 ASP A 412
LEU A 413
ARG A 316
THR A 364
 None
 1.46A 4kjjA-5d8mA:
undetectable		 4kjjA-5d8mA:
19.42
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.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		4 ASP A 234
LEU A 230
ARG A 218
THR A 267
 None
 1.37A 4kjjA-5hlbA:
undetectable		 4kjjA-5hlbA:
11.57
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.
5ndl CRH-LIKE PROTEIN

(Aspergillus
fumigatus) 		no annotation 4 ASP A 116
LEU A 117
ARG A 203
THR A 198
 None
None
NAG  A 303 ( 4.0A)
None
 1.41A 4kjjA-5ndlA:
undetectable		 4kjjA-5ndlA:
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.
5nv8 EF-P ARGININE 32
RHAMNOSYL-TRANSFERAS
E

(Pseudomonas
putida) 		PF10093
(DUF2331) 		4 ASP A 364
LEU A 151
ARG A  26
THR A 367
 None
 1.39A 4kjjA-5nv8A:
undetectable		 4kjjA-5nv8A:
16.89
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.
5oee LARGE SUBUNIT
TERMINASE

(Phage D6E) 		no annotation 4 ASP A 142
LEU A  78
ARG A  80
THR A  48
 None
 1.46A 4kjjA-5oeeA:
undetectable		 4kjjA-5oeeA:
15.20
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.
5ol2 ELECTRON TRANSFER
FLAVOPROTEIN LARGE
SUBUNIT
ELECTRON TRANSFER
FLAVOPROTEIN SMALL
SUBUNIT

(Clostridioides
difficile;
Clostridioides
difficile) 		no annotation
no annotation 		4 ASP A 103
LEU A 104
ARG A 111
THR B 146
 None
None
CA  A 402 ( 4.0A)
None
 1.40A 4kjjA-5ol2A:
undetectable		 4kjjA-5ol2A:
17.82
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 4 ASP A  28
LEU A  29
ARG A  61
THR A 111
 MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.90A 4kjjA-6cxmA:
21.2		 4kjjA-6cxmA:
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.
6e4e -

(-) 		no annotation 4 ASP A  27
LEU A  28
ARG A  57
THR A 111
 MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.3A)
 0.45A 4kjjA-6e4eA:
24.9		 4kjjA-6e4eA:
undetectable