SIMILAR PATTERNS OF AMINO ACIDS FOR 1HD2_A_BEZA201_0

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.
1h4o PEROXIREDOXIN 5

(Homo sapiens) 		PF08534
(Redoxin) 		5 GLY A  46
CYH A  47
LEU A 112
ARG A 127
THR A 147
 BEZ  A1162 (-3.1A)
BEZ  A1162 (-3.3A)
None
BEZ  A1162 (-3.7A)
BEZ  A1162 ( 4.0A)
 1.37A 1hd2A-1h4oA:
35.2		 1hd2A-1h4oA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1h4o PEROXIREDOXIN 5

(Homo sapiens) 		PF08534
(Redoxin) 		9 PRO A  40
THR A  44
PRO A  45
GLY A  46
CYH A  47
LEU A 116
PHE A 120
ARG A 127
THR A 147
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.1A)
BEZ  A1162 (-3.3A)
None
None
BEZ  A1162 (-3.7A)
BEZ  A1162 ( 4.0A)
 0.19A 1hd2A-1h4oA:
35.2		 1hd2A-1h4oA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nm3 PROTEIN HI0572

(Haemophilus
influenzae) 		PF00462
(Glutaredoxin)
PF08534
(Redoxin) 		7 PRO A  42
THR A  46
PRO A  47
CYH A  49
LEU A 118
PHE A 120
ARG A 126
 None
 0.85A 1hd2A-1nm3A:
23.8		 1hd2A-1nm3A:
32.12
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.
1psq PROBABLE THIOL
PEROXIDASE

(Streptococcus
pneumoniae) 		PF08534
(Redoxin) 		5 PRO A  51
THR A  55
CYH A  58
LEU A   5
ARG A 127
 None
 1.10A 1hd2A-1psqA:
19.3		 1hd2A-1psqA:
25.70
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.
1qd1 FORMIMINOTRANSFERASE
-CYCLODEAMINASE

(Sus scrofa) 		PF02971
(FTCD)
PF07837
(FTCD_N) 		5 THR A  30
PRO A  31
GLY A  32
CYH A  33
LEU A  63
 None
 1.02A 1hd2A-1qd1A:
0.0		 1hd2A-1qd1A:
22.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tp9 PEROXIREDOXIN

(Populus
trichocarpa) 		PF08534
(Redoxin) 		5 PRO A  44
THR A  48
PRO A  49
CYH A  51
ARG A 129
 None
SO4  A1248 ( 4.6A)
SO4  A1248 (-3.6A)
None
None
 0.18A 1hd2A-1tp9A:
26.5		 1hd2A-1tp9A:
43.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tp9 PEROXIREDOXIN

(Populus
trichocarpa) 		PF08534
(Redoxin) 		5 THR A  48
PRO A  49
CYH A  51
LEU A 118
ARG A 129
 SO4  A1248 ( 4.6A)
SO4  A1248 (-3.6A)
None
None
None
 0.59A 1hd2A-1tp9A:
26.5		 1hd2A-1tp9A:
43.45
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.
2a4v PEROXIREDOXIN DOT5

(Saccharomyces
cerevisiae) 		PF00578
(AhpC-TSA) 		5 PRO A 100
THR A 104
PRO A 105
GLY A 106
ARG A 175
 None
 0.61A 1hd2A-2a4vA:
20.2		 1hd2A-2a4vA:
26.47
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 THR A1122
PRO A1123
GLY A1512
PHE A1517
THR A1232
 None
 1.30A 1hd2A-2vz9A:
undetectable		 1hd2A-2vz9A:
6.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wfc PEROXIREDOXIN 5

(Arenicola
marina) 		PF08534
(Redoxin) 		5 THR A  71
PRO A  72
GLY A  73
LEU A 141
ARG A 152
 None
 0.59A 1hd2A-2wfcA:
31.6		 1hd2A-2wfcA:
64.60
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.
2yzh PROBABLE THIOL
PEROXIDASE

(Aquifex
aeolicus) 		PF08534
(Redoxin) 		6 PRO A  54
THR A  58
PRO A  59
CYH A  61
LEU A 126
ARG A 132
 None
 0.93A 1hd2A-2yzhA:
19.2		 1hd2A-2yzhA:
24.19
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.
2yzh PROBABLE THIOL
PEROXIDASE

(Aquifex
aeolicus) 		PF08534
(Redoxin) 		5 THR A  58
PRO A  59
CYH A  61
ARG A 132
THR A 153
 None
 0.76A 1hd2A-2yzhA:
19.2		 1hd2A-2yzhA:
24.19
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.
3a5w PROBABLE
PEROXIREDOXIN

(Aeropyrum
pernix) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 PRO A  43
THR A  47
PRO A  48
CYH A  50
ARG A 126
 None
 0.54A 1hd2A-3a5wA:
16.3		 1hd2A-3a5wA:
23.65
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.
3bt3 GLYOXALASE-RELATED
ENZYME, ARAC TYPE

(Lachnoclostridium
phytofermentans) 		no annotation 5 THR A 252
GLY A 255
CYH A 256
PHE A 158
THR A 148
 None
 1.14A 1hd2A-3bt3A:
undetectable		 1hd2A-3bt3A:
21.51
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.
3bzm MENAQUINONE-SPECIFIC
ISOCHORISMATE
SYNTHASE

(Escherichia
coli) 		PF00425
(Chorismate_bind) 		5 PRO A  20
THR A  22
PRO A  23
GLY A  24
ARG A  26
 None
 1.29A 1hd2A-3bzmA:
undetectable		 1hd2A-3bzmA:
16.55
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.
3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG

(Sulfolobus
solfataricus) 		PF00578
(AhpC-TSA) 		5 PRO A  38
THR A  42
PRO A  43
GLY A  44
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.7A)
 0.39A 1hd2A-3drnA:
19.5		 1hd2A-3drnA:
25.15
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.
3hmu AMINOTRANSFERASE,
CLASS III

(Ruegeria
pomeroyi) 		PF00202
(Aminotran_3) 		5 PRO A 229
THR A 270
GLY A 266
CYH A 265
THR A 276
 None
 1.38A 1hd2A-3hmuA:
undetectable		 1hd2A-3hmuA:
15.50
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.
3ivr PUTATIVE
LONG-CHAIN-FATTY-ACI
D COA LIGASE

(Rhodopseudomonas
palustris) 		PF00501
(AMP-binding) 		5 THR A 215
GLY A 310
LEU A 281
PHE A 256
THR A 302
 None
None
GOL  A 512 (-4.7A)
None
GOL  A 512 (-4.7A)
 1.37A 1hd2A-3ivrA:
undetectable		 1hd2A-3ivrA:
18.08
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.
3ixr BACTERIOFERRITIN
COMIGRATORY PROTEIN

(Xylella
fastidiosa) 		PF00578
(AhpC-TSA) 		5 PRO A  40
THR A  44
PRO A  45
GLY A  46
ARG A 122
 None
 0.48A 1hd2A-3ixrA:
18.8		 1hd2A-3ixrA:
20.83
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.
3jxa CONTACTIN 4

(Mus musculus) 		PF07679
(I-set)
PF13927
(Ig_3) 		5 PRO A 208
PRO A 146
GLY A 145
LEU A 206
ARG A 129
 None
 1.48A 1hd2A-3jxaA:
undetectable		 1hd2A-3jxaA:
20.00
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.
3oep PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0988

(Thermus
thermophilus) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		5 PRO A 186
PRO A 121
GLY A 122
LEU A 346
PHE A 345
 None
 1.31A 1hd2A-3oepA:
undetectable		 1hd2A-3oepA:
17.38
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.
3p7x PROBABLE THIOL
PEROXIDASE

(Staphylococcus
aureus) 		PF08534
(Redoxin) 		5 PRO A  53
THR A  57
CYH A  60
LEU A 123
ARG A 128
 None
 0.91A 1hd2A-3p7xA:
18.9		 1hd2A-3p7xA:
26.09
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.
3tb2 1-CYS PEROXIREDOXIN

(Plasmodium
yoelii) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 PRO A  40
THR A  44
PRO A  45
CYH A  47
ARG A 129
 GOL  A 223 (-4.3A)
GOL  A 223 ( 4.3A)
GOL  A 223 (-3.6A)
GOL  A 223 (-4.4A)
GOL  A 223 (-4.1A)
 0.58A 1hd2A-3tb2A:
17.5		 1hd2A-3tb2A:
20.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uma HYPOTHETICAL
PEROXIREDOXIN
PROTEIN

(Sinorhizobium
meliloti) 		PF08534
(Redoxin) 		5 PRO A  42
THR A  46
PRO A  47
CYH A  49
ARG A 127
 None
 0.17A 1hd2A-3umaA:
27.3		 1hd2A-3umaA:
37.10
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.
3zre THIOL PEROXIDASE

(Yersinia
pseudotuberculosis) 		PF08534
(Redoxin) 		5 PRO A  54
THR A  58
CYH A  61
LEU A 127
ARG A 133
 None
 0.92A 1hd2A-3zreA:
18.2		 1hd2A-3zreA:
23.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4f82 THIOREDOXIN
REDUCTASE

(Burkholderia
cenocepacia) 		PF08534
(Redoxin) 		5 PRO A  48
THR A  52
PRO A  53
CYH A  55
ARG A 133
 None
 0.14A 1hd2A-4f82A:
27.3		 1hd2A-4f82A:
42.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4f82 THIOREDOXIN
REDUCTASE

(Burkholderia
cenocepacia) 		PF08534
(Redoxin) 		5 THR A  52
PRO A  53
CYH A  55
LEU A 122
ARG A 133
 None
 0.65A 1hd2A-4f82A:
27.3		 1hd2A-4f82A:
42.05
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.
4lis UDP-GLUCOSE
4-EPIMERASE

(Aspergillus
nidulans) 		PF16363
(GDP_Man_Dehyd) 		5 THR A 153
PRO A 152
GLY A 151
LEU A 320
ARG A 137
 None
 1.30A 1hd2A-4lisA:
undetectable		 1hd2A-4lisA:
19.73
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.
4zdk CTP SYNTHASE

(Mycobacterium
tuberculosis) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 PRO A 364
GLY A 365
LEU A 537
PHE A 538
THR A 521
 None
ONL  A 601 (-3.3A)
None
None
None
 1.45A 1hd2A-4zdkA:
undetectable		 1hd2A-4zdkA:
14.12
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.
5enu ALKYL HYDROPEROXIDE
REDUCTASE/ THIOL
SPECIFIC
ANTIOXIDANT/ MAL
ALLERGEN

(Burkholderia
ambifaria) 		PF00578
(AhpC-TSA) 		6 PRO A  37
THR A  41
PRO A  42
GLY A  43
CYH A  44
ARG A 119
 None
 0.36A 1hd2A-5enuA:
19.0		 1hd2A-5enuA:
25.41
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.
5epf PEROXIREDOXIN

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		6 PRO A  45
THR A  49
PRO A  50
GLY A  51
CYH A  52
ARG A 124
 None
 0.92A 1hd2A-5epfA:
21.0		 1hd2A-5epfA:
28.65
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.
5ipg BACTERIOFERRITIN
COMIGRATORY PROTEIN

(Xanthomonas
campestris) 		PF00578
(AhpC-TSA) 		6 PRO A  41
THR A  45
PRO A  46
GLY A  47
CYH A  48
ARG A 123
 None
 0.68A 1hd2A-5ipgA:
18.0		 1hd2A-5ipgA:
20.24
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.
5jta NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 5 PRO A 271
THR A 217
PRO A 218
GLY A 219
ARG A 224
 None
 1.49A 1hd2A-5jtaA:
undetectable		 1hd2A-5jtaA:
13.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5k1g 1-CYS PEROXIREDOXIN

(Vibrio
vulnificus) 		PF08534
(Redoxin) 		5 PRO A  41
THR A  45
PRO A  46
PHE A 117
ARG A 124
 None
 0.87A 1hd2A-5k1gA:
27.8		 1hd2A-5k1gA:
43.03