SIMILAR PATTERNS OF AMINO ACIDS FOR 6GIQ_I_PCFI101

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ezv UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN I
UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
7.3 KD PROTEIN

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF05365
(UCR_UQCRX_QCR9) 		5 ASP A 427
SER A 452
MET A 454
VAL I  18
ILE I  21
 None
 1.10A 6giqA-1ezvA:
0.0
6giqE-1ezvA:
0.0
6giqI-1ezvA:
0.0		 6giqA-1ezvA:
99.54
6giqE-1ezvA:
20.77
6giqI-1ezvA:
10.82
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.
1hdg HOLO-D-GLYCERALDEHYD
E-3-PHOSPHATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ASP O  67
TYR O  18
GLY O  12
SER O  95
ILE O   5
 None
 1.42A 6giqA-1hdgO:
0.0
6giqE-1hdgO:
0.0
6giqI-1hdgO:
0.0		 6giqA-1hdgO:
22.58
6giqE-1hdgO:
23.10
6giqI-1hdgO:
12.86
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.
1hp1 5'-NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 ASP A 255
GLY A  88
ASN A 517
VAL A 432
ILE A 521
 None
 1.43A 6giqA-1hp1A:
0.0
6giqE-1hp1A:
0.0
6giqI-1hp1A:
0.0		 6giqA-1hp1A:
23.55
6giqE-1hp1A:
17.18
6giqI-1hp1A:
8.98
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.
1o0s NAD-DEPENDENT MALIC
ENZYME

(Ascaris suum) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ASP A 231
TYR A 191
GLY A 131
ASN A 225
ILE A 182
 None
 1.39A 6giqA-1o0sA:
1.0
6giqE-1o0sA:
0.0
6giqI-1o0sA:
0.0		 6giqA-1o0sA:
21.93
6giqE-1o0sA:
15.69
6giqI-1o0sA:
7.60
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.
2cf5 CINNAMYL ALCOHOL
DEHYDROGENASE

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A 212
TYR A 261
GLY A 275
VAL A 254
ILE A 277
 None
 1.45A 6giqA-2cf5A:
0.0
6giqE-2cf5A:
0.0
6giqI-2cf5A:
0.0		 6giqA-2cf5A:
20.96
6giqE-2cf5A:
20.44
6giqI-2cf5A:
10.08
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.
2eu9 DUAL SPECIFICITY
PROTEIN KINASE CLK3

(Homo sapiens) 		PF00069
(Pkinase) 		5 ASP A 224
SER A 223
TYR A 156
GLY A 160
VAL A 170
 None
 1.36A 6giqA-2eu9A:
0.0
6giqE-2eu9A:
0.0
6giqI-2eu9A:
0.0		 6giqA-2eu9A:
22.01
6giqE-2eu9A:
20.59
6giqI-2eu9A:
14.34
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.
2gup ROK FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF00480
(ROK) 		5 ASP A   7
SER A  58
GLY A 126
SER A 164
ASN A  99
 SUC  A 290 (-3.5A)
None
None
None
TRS  A 293 (-3.9A)
 1.47A 6giqA-2gupA:
0.0
6giqE-2gupA:
0.0
6giqI-2gupA:
0.0		 6giqA-2gupA:
23.64
6giqE-2gupA:
21.68
6giqI-2gupA:
13.67
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.
2iou MAJOR TROPISM
DETERMINANT P1

(Bordetella
virus BPP1) 		no annotation 5 TYR A 165
GLY A 181
SER A 206
VAL A 299
ILE A 193
 None
 1.15A 6giqA-2iouA:
0.0
6giqE-2iouA:
0.0
6giqI-2iouA:
0.0		 6giqA-2iouA:
24.03
6giqE-2iouA:
18.78
6giqI-2iouA:
9.57
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.
2isa CATALASE

(Aliivibrio
salmonicida) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 ASP A 103
SER A 239
TYR A 188
GLY A 220
ILE A 221
 None
 1.47A 6giqA-2isaA:
0.0
6giqE-2isaA:
undetectable
6giqI-2isaA:
undetectable		 6giqA-2isaA:
23.50
6giqE-2isaA:
18.55
6giqI-2isaA:
8.33
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.
2o14 HYPOTHETICAL PROTEIN
YXIM

(Bacillus
subtilis) 		PF13472
(Lipase_GDSL_2) 		5 ASP A 121
TYR A 177
GLY A 208
ASN A 204
VAL A 173
 None
 1.44A 6giqA-2o14A:
undetectable
6giqE-2o14A:
undetectable
6giqI-2o14A:
undetectable		 6giqA-2o14A:
23.11
6giqE-2o14A:
19.46
6giqI-2o14A:
11.65
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.
3gym PROSTASIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 ASP A  74
GLY A  44
SER A  54
VAL A  41
ILE A  33
 None
 1.47A 6giqA-3gymA:
undetectable
6giqE-3gymA:
undetectable
6giqI-3gymA:
undetectable		 6giqA-3gymA:
24.30
6giqE-3gymA:
22.43
6giqI-3gymA:
11.49
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.
3mcu DIPICOLINATE
SYNTHASE, B CHAIN

(Bacillus cereus) 		PF02441
(Flavoprotein) 		5 ASP A  86
GLY A  75
SER A  72
VAL A  39
ILE A  70
 None
 1.45A 6giqA-3mcuA:
undetectable
6giqE-3mcuA:
undetectable
6giqI-3mcuA:
undetectable		 6giqA-3mcuA:
19.00
6giqE-3mcuA:
19.83
6giqI-3mcuA:
16.15
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.
3os6 ISOCHORISMATE
SYNTHASE DHBC

(Bacillus
anthracis) 		PF00425
(Chorismate_bind) 		5 ASP A 238
SER A 215
GLY A 131
VAL A 144
ILE A 143
 None
SO4  A 404 (-2.2A)
None
None
None
 1.42A 6giqA-3os6A:
undetectable
6giqE-3os6A:
undetectable
6giqI-3os6A:
undetectable		 6giqA-3os6A:
20.83
6giqE-3os6A:
17.17
6giqI-3os6A:
9.79
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.
3wfj 2-DEHYDROPANTOATE
2-REDUCTASE

(Enterococcus
faecium) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 ASP A 264
SER A 260
GLY A 108
ASN A 191
ILE A 107
 None
 1.30A 6giqA-3wfjA:
1.8
6giqE-3wfjA:
undetectable
6giqI-3wfjA:
undetectable		 6giqA-3wfjA:
21.48
6giqE-3wfjA:
20.57
6giqI-3wfjA:
11.67
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.
4aw5 EPHRIN TYPE-B
RECEPTOR 4

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ASP A 234
SER A 233
GLY A 293
SER A 291
VAL A 285
 30K  A1365 (-3.3A)
30K  A1365 ( 3.7A)
None
None
None
 1.40A 6giqA-4aw5A:
1.9
6giqE-4aw5A:
undetectable
6giqI-4aw5A:
undetectable		 6giqA-4aw5A:
21.87
6giqE-4aw5A:
21.82
6giqI-4aw5A:
11.85
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.
4dfe 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Paraburkholderia
xenovorans) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 SER A 188
GLY A 173
SER A  69
VAL A 147
ILE A 148
 None
 1.46A 6giqA-4dfeA:
0.5
6giqE-4dfeA:
undetectable
6giqI-4dfeA:
undetectable		 6giqA-4dfeA:
22.08
6giqE-4dfeA:
21.26
6giqI-4dfeA:
12.74
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.
4dfe 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Paraburkholderia
xenovorans) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 SER A 325
GLY A 173
SER A  69
VAL A 147
ILE A 148
 None
 1.24A 6giqA-4dfeA:
0.5
6giqE-4dfeA:
undetectable
6giqI-4dfeA:
undetectable		 6giqA-4dfeA:
22.08
6giqE-4dfeA:
21.26
6giqI-4dfeA:
12.74
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.
4esb TRANSCRIPTIONAL
REGULATOR, PADR
FAMILY

(Bacillus cereus) 		PF03551
(PadR) 		5 TYR A  26
GLY A  43
ASN A  33
VAL A  40
ILE A  45
 None
 1.29A 6giqA-4esbA:
undetectable
6giqE-4esbA:
undetectable
6giqI-4esbA:
undetectable		 6giqA-4esbA:
15.89
6giqE-4esbA:
18.69
6giqI-4esbA:
17.54
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.
4zng PROLIDASE

(Lactococcus
lactis) 		no annotation 5 ASP C 232
MET C 188
GLY C 157
VAL C 173
ILE C 172
 MN  C 401 (-2.2A)
None
None
None
None
 1.45A 6giqA-4zngC:
undetectable
6giqE-4zngC:
undetectable
6giqI-4zngC:
undetectable		 6giqA-4zngC:
21.91
6giqE-4zngC:
23.14
6giqI-4zngC:
10.50
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.
5dn6 ATP SYNTHASE SUBUNIT
ALPHA

(Paracoccus
denitrificans) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 ASP A 130
MET A  52
TYR A 245
GLY A  37
VAL A  73
 None
 1.44A 6giqA-5dn6A:
3.4
6giqE-5dn6A:
undetectable
6giqI-5dn6A:
undetectable		 6giqA-5dn6A:
26.03
6giqE-5dn6A:
18.36
6giqI-5dn6A:
8.51
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.
5e0q ANTI-NUP98 NANOBODY
TP377
NUCLEAR PORE COMPLEX
PROTEIN NUP98-NUP96

(Vicugna pacos;
Xenopus
tropicalis) 		PF07686
(V-set)
PF04096
(Nucleoporin2) 		5 ASP B 775
SER B 776
GLY A 104
ASN A  54
VAL A  35
 None
 1.28A 6giqA-5e0qB:
undetectable
6giqE-5e0qB:
undetectable
6giqI-5e0qB:
undetectable		 6giqA-5e0qB:
16.14
6giqE-5e0qB:
18.58
6giqI-5e0qB:
17.22
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.
5ee4 HPUA

(Kingella
denitrificans) 		PF16960
(HpuA) 		5 ASP A 111
SER A 112
TYR A  81
GLY A 139
SER A 299
 None
 1.38A 6giqA-5ee4A:
undetectable
6giqE-5ee4A:
undetectable
6giqI-5ee4A:
undetectable		 6giqA-5ee4A:
21.43
6giqE-5ee4A:
21.39
6giqI-5ee4A:
13.44
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.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ASP A 625
SER A 219
TYR A 152
GLY A 509
ASN A 195
 None
 1.36A 6giqA-5fjiA:
0.7
6giqE-5fjiA:
undetectable
6giqI-5fjiA:
undetectable		 6giqA-5fjiA:
22.52
6giqE-5fjiA:
15.11
6giqI-5fjiA:
6.43
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.
5fmg PROTEASOME SUBUNIT
BETA TYPE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum;
Plasmodium
falciparum) 		PF00227
(Proteasome)
PF00227
(Proteasome) 		5 ASP K   2
GLY L 118
SER L  84
ASN K  33
VAL L 121
 None
 1.29A 6giqA-5fmgK:
undetectable
6giqE-5fmgK:
undetectable
6giqI-5fmgK:
undetectable		 6giqA-5fmgK:
17.10
6giqE-5fmgK:
21.79
6giqI-5fmgK:
13.76
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.
5mj3 INTERLEUKIN-12
SUBUNIT BETA

(Homo sapiens) 		PF10420
(IL12p40_C) 		5 ASP A 312
SER A 317
TYR A 136
SER A 158
ILE A 208
 None
 1.41A 6giqA-5mj3A:
undetectable
6giqE-5mj3A:
undetectable
6giqI-5mj3A:
undetectable		 6giqA-5mj3A:
18.91
6giqE-5mj3A:
20.56
6giqI-5mj3A:
12.27
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.
5w6l RTX
REPEAT-CONTAINING
CYTOTOXIN

(Vibrio
vulnificus) 		no annotation 5 ASP A3935
SER A3934
GLY A3847
SER A3851
ILE A3848
 ASP  A3935 ( 0.6A)
SER  A3934 ( 0.0A)
GLY  A3847 ( 0.0A)
SER  A3851 ( 0.0A)
ILE  A3848 ( 0.7A)
 1.38A 6giqA-5w6lA:
1.0
6giqE-5w6lA:
undetectable
6giqI-5w6lA:
undetectable		 6giqA-5w6lA:
undetectable
6giqE-5w6lA:
undetectable
6giqI-5w6lA:
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.
5y29 INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 SER A1664
TYR A1646
GLY A1690
SER A1694
VAL A1650
 None
 1.23A 6giqA-5y29A:
0.5
6giqE-5y29A:
undetectable
6giqI-5y29A:
undetectable		 6giqA-5y29A:
undetectable
6giqE-5y29A:
undetectable
6giqI-5y29A:
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.
5ygf GH18329P

(Drosophila
melanogaster) 		no annotation 5 SER A 258
GLY A 280
SER A 283
VAL A 263
ILE A 279
 None
 1.26A 6giqA-5ygfA:
undetectable
6giqE-5ygfA:
undetectable
6giqI-5ygfA:
undetectable		 6giqA-5ygfA:
undetectable
6giqE-5ygfA:
undetectable
6giqI-5ygfA:
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.
5yv5 ATPASE RIL

(Pyrococcus
furiosus) 		no annotation 5 SER A 553
GLY A 368
SER A 521
VAL A 514
ILE A 517
 None
 1.42A 6giqA-5yv5A:
undetectable
6giqE-5yv5A:
undetectable
6giqI-5yv5A:
undetectable		 6giqA-5yv5A:
undetectable
6giqE-5yv5A:
undetectable
6giqI-5yv5A:
undetectable