SIMILAR PATTERNS OF AMINO ACIDS FOR 2DTT_E_H4BE1004_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b66 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE

(Rattus rattus) 		PF01242
(PTPS) 		7 HIS A  23
HIS A  48
HIS A  50
THR A 105
THR A 106
GLU A 107
GLU A 133
 ZN  A 401 ( 3.4A)
ZN  A 401 ( 3.4A)
ZN  A 401 ( 3.4A)
BIO  A 700 (-4.3A)
BIO  A 700 (-3.7A)
BIO  A 700 (-3.0A)
BIO  A 700 ( 2.7A)
 0.73A 2dttD-1b66A:
16.2
2dttE-1b66A:
15.5		 2dttD-1b66A:
31.43
2dttE-1b66A:
31.43
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.
1bwy PROTEIN (HEART FATTY
ACID BINDING
PROTEIN)

(Bos taurus) 		PF00061
(Lipocalin) 		5 LEU A  23
VAL A  80
HIS A  93
THR A  73
THR A  74
 None
 1.09A 2dttD-1bwyA:
undetectable
2dttE-1bwyA:
undetectable		 2dttD-1bwyA:
21.13
2dttE-1bwyA:
21.13
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.
1rvk ISOMERASE/LACTONIZIN
G ENZYME

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 337
HIS A  31
HIS A  18
THR A  14
THR A  13
 None
 1.13A 2dttD-1rvkA:
undetectable
2dttE-1rvkA:
undetectable		 2dttD-1rvkA:
16.37
2dttE-1rvkA:
16.37
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.
1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE

(Plasmodium
falciparum) 		PF01242
(PTPS) 		6 HIS A  29
HIS A  41
HIS A  43
THR A 127
GLU A 128
GLU A 161
 ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.3A)
ZN  A 174 ( 3.4A)
BIO  A 175 ( 4.7A)
BIO  A 175 (-2.8A)
BIO  A 175 (-3.1A)
 0.95A 2dttD-1y13A:
12.7
2dttE-1y13A:
14.0		 2dttD-1y13A:
22.65
2dttE-1y13A:
22.65
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.
2a0s 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE

(Plasmodium
vivax) 		PF01242
(PTPS) 		6 HIS A  36
HIS A  48
HIS A  50
THR A 134
GLU A 135
GLU A 168
 ZN  A 281 ( 3.5A)
ZN  A 281 (-3.3A)
ZN  A 281 (-3.3A)
BIO  A 282 (-3.8A)
BIO  A 282 (-3.0A)
BIO  A 282 ( 2.8A)
 0.66A 2dttD-2a0sA:
12.3
2dttE-2a0sA:
13.4		 2dttD-2a0sA:
23.33
2dttE-2a0sA:
23.33
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.
2bpa PROTEIN (SUBUNIT OF
BACTERIOPHAGE
PHIX174)

(Escherichia
virus phiX174) 		PF02305
(Phage_F) 		5 VAL 1  35
HIS 1  73
HIS 1 122
THR 1  33
THR 1  32
 None
 1.30A 2dttD-2bpa1:
undetectable
2dttE-2bpa1:
undetectable		 2dttD-2bpa1:
13.68
2dttE-2bpa1:
13.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dj6 HYPOTHETICAL PROTEIN
PH0634

(Pyrococcus
horikoshii) 		PF01242
(PTPS) 		6 HIS A  15
HIS A  29
THR A  76
THR A  77
GLU A  78
GLU A 105
 HIS  A  15 ( 1.0A)
HIS  A  29 ( 1.0A)
THR  A  76 ( 0.8A)
THR  A  77 ( 0.8A)
GLU  A  78 ( 0.5A)
GLU  A 105 ( 0.6A)
 0.46A 2dttD-2dj6A:
21.5
2dttE-2dj6A:
20.6		 2dttD-2dj6A:
100.00
2dttE-2dj6A:
100.00
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.
2mhr MYOHEMERYTHRIN

(Themiste
hennahi) 		PF01814
(Hemerythrin) 		5 LEU A 118
HIS A  77
HIS A  73
HIS A 106
THR A  56
 None
FEO  A 119 (-3.3A)
FEO  A 119 (-3.5A)
FEO  A 119 ( 3.3A)
None
 1.37A 2dttD-2mhrA:
undetectable
2dttE-2mhrA:
undetectable		 2dttD-2mhrA:
17.89
2dttE-2mhrA:
17.89
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.
2o1q PUTATIVE
ACETYL/PROPIONYL-COA
CARBOXYLASE, ALPHA
SUBUNIT

(Methylibium
petroleiphilum) 		no annotation 5 TYR A 113
PHE A  48
HIS A  61
HIS A 101
HIS A  59
 None
None
ZN  A 145 ( 3.3A)
ZN  A 145 ( 2.8A)
ZN  A 145 ( 3.2A)
 1.34A 2dttD-2o1qA:
undetectable
2dttE-2o1qA:
undetectable		 2dttD-2o1qA:
20.81
2dttE-2o1qA:
20.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oba PROBABLE 6-PYRUVOYL
TETRAHYDROBIOPTERIN
SYNTHASE

(Pseudomonas
aeruginosa) 		PF01242
(PTPS) 		6 HIS A  13
HIS A  28
HIS A  30
THR A  81
GLU A  83
GLU A 107
 ZN  A 200 (-3.6A)
ZN  A 200 (-3.6A)
ZN  A 200 (-3.4A)
None
None
ZN  A 200 (-3.1A)
 0.55A 2dttD-2obaA:
15.3
2dttE-2obaA:
16.4		 2dttD-2obaA:
32.86
2dttE-2obaA:
32.86
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.
2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE

(Bacillus
subtilis) 		no annotation 5 LEU A  44
HIS A 137
HIS A  69
HIS A  71
GLU A  82
 None
ZN  A1173 (-3.4A)
ZN  A1173 (-3.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
 1.01A 2dttD-2y0oA:
undetectable
2dttE-2y0oA:
undetectable		 2dttD-2y0oA:
20.93
2dttE-2y0oA:
20.93
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.
2ywb GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Thermus
thermophilus) 		PF00117
(GATase)
PF00958
(GMP_synt_C) 		5 VAL A 422
HIS A 379
THR A 454
THR A 455
GLU A 456
 None
 1.44A 2dttD-2ywbA:
undetectable
2dttE-2ywbA:
undetectable		 2dttD-2ywbA:
12.52
2dttE-2ywbA:
12.52
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.
3adr PUTATIVE
UNCHARACTERIZED
PROTEIN ST1585

(Sulfurisphaera
tokodaii) 		PF00753
(Lactamase_B) 		5 LEU A 105
HIS A 148
HIS A  58
THR A 179
THR A 178
 None
ZN  A 262 (-3.3A)
ZN  A 262 (-3.4A)
None
None
 1.38A 2dttD-3adrA:
undetectable
2dttE-3adrA:
undetectable		 2dttD-3adrA:
18.15
2dttE-3adrA:
18.15
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.
3bxo N,N-DIMETHYLTRANSFER
ASE

(Streptomyces
venezuelae) 		PF13649
(Methyltransf_25) 		5 HIS A 204
THR A 114
THR A 115
GLU A 116
GLU A 207
 None
 0.74A 2dttD-3bxoA:
undetectable
2dttE-3bxoA:
undetectable		 2dttD-3bxoA:
18.22
2dttE-3bxoA:
18.22
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.
3cjp PREDICTED
AMIDOHYDROLASE,
DIHYDROOROTASE
FAMILY

(Clostridium
acetobutylicum) 		PF04909
(Amidohydro_2) 		5 LEU A  55
HIS A   8
HIS A 179
THR A   9
GLU A 121
 None
ZN  A 302 (-3.3A)
ZN  A 301 (-3.2A)
None
ZN  A 301 ( 2.5A)
 1.34A 2dttD-3cjpA:
undetectable
2dttE-3cjpA:
undetectable		 2dttD-3cjpA:
18.89
2dttE-3cjpA:
18.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i2b 6-PYRUVOYL
TETRAHYDROBIOPTERIN
SYNTHASE

(Homo sapiens) 		PF01242
(PTPS) 		7 HIS A  24
HIS A  49
HIS A  51
THR A 106
THR A 107
GLU A 108
GLU A 134
 NI  A 146 (-3.1A)
NI  A 146 (-3.1A)
NI  A 146 (-3.3A)
None
None
None
NI  A 146 (-3.8A)
 0.71A 2dttD-3i2bA:
16.2
2dttE-3i2bA:
15.6		 2dttD-3i2bA:
30.71
2dttE-3i2bA:
30.71
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.
3jby V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Danio rerio) 		PF12940
(RAG1) 		5 HIS A 964
HIS A 959
HIS A 766
THR A 769
GLU A 774
 ZN  A1101 (-3.2A)
ZN  A1101 (-3.2A)
ZN  A1101 ( 4.8A)
None
None
 1.21A 2dttD-3jbyA:
undetectable
2dttE-3jbyA:
undetectable		 2dttD-3jbyA:
10.31
2dttE-3jbyA:
10.31
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.
3jyg UNCHARACTERIZED
PROTEIN

(Wolinella
succinogenes) 		PF01242
(PTPS) 		5 HIS A  15
VAL A  17
HIS A  38
THR A 138
GLU A 140
 ZN  A 200 (-3.5A)
None
ZN  A 200 (-3.3A)
None
None
 0.64A 2dttD-3jygA:
12.5
2dttE-3jygA:
13.2		 2dttD-3jygA:
23.08
2dttE-3jygA:
23.08
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.
3jyg UNCHARACTERIZED
PROTEIN

(Wolinella
succinogenes) 		PF01242
(PTPS) 		5 VAL A  17
HIS A  38
THR A 138
GLU A 140
GLU A 168
 None
ZN  A 200 (-3.3A)
None
None
ZN  A 200 ( 4.3A)
 0.85A 2dttD-3jygA:
12.5
2dttE-3jygA:
13.2		 2dttD-3jygA:
23.08
2dttE-3jygA:
23.08
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.
3kmh D-LYXOSE ISOMERASE

(Escherichia
coli) 		PF07385
(Lyx_isomer) 		5 LEU A  70
HIS A 171
HIS A 103
HIS A 105
GLU A 110
 None
MN  A1001 (-3.3A)
MN  A1001 (-3.6A)
MN  A1001 (-3.2A)
MN  A1001 (-2.6A)
 0.91A 2dttD-3kmhA:
undetectable
2dttE-3kmhA:
undetectable		 2dttD-3kmhA:
19.92
2dttE-3kmhA:
19.92
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.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		5 LEU A 110
HIS A 216
HIS A 243
THR A 247
GLU A 246
 None
None
CA  A 471 (-4.7A)
None
None
 1.37A 2dttD-3lnpA:
undetectable
2dttE-3lnpA:
undetectable		 2dttD-3lnpA:
13.82
2dttE-3lnpA:
13.82
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.
3oet ERYTHRONATE-4-PHOSPH
ATE DEHYDROGENASE

(Salmonella
enterica) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
PF11890
(DUF3410) 		5 PHE A  16
LEU A  19
VAL A 284
THR A 268
THR A 267
 None
 1.50A 2dttD-3oetA:
undetectable
2dttE-3oetA:
undetectable		 2dttD-3oetA:
16.62
2dttE-3oetA:
16.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qna 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE

(Escherichia
coli) 		PF01242
(PTPS) 		5 HIS A  15
HIS A  30
HIS A  32
GLU A  85
GLU A 109
 ZN  A 122 ( 3.3A)
ZN  A 122 ( 3.2A)
ZN  A 122 ( 3.2A)
BIO  A 121 (-2.9A)
BIO  A 121 (-2.8A)
 0.61A 2dttD-3qnaA:
15.6
2dttE-3qnaA:
16.8		 2dttD-3qnaA:
32.41
2dttE-3qnaA:
32.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qna 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE

(Escherichia
coli) 		PF01242
(PTPS) 		5 HIS A  15
HIS A  30
THR A  83
GLU A  85
GLU A 109
 ZN  A 122 ( 3.3A)
ZN  A 122 ( 3.2A)
BIO  A 121 (-4.2A)
BIO  A 121 (-2.9A)
BIO  A 121 (-2.8A)
 0.55A 2dttD-3qnaA:
15.6
2dttE-3qnaA:
16.8		 2dttD-3qnaA:
32.41
2dttE-3qnaA:
32.41
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.
4btg MAJOR INNER PROTEIN
P1

(Pseudomonas
virus phi6) 		no annotation 5 PHE A 413
HIS A 357
VAL A 420
THR A 418
GLU A 642
 None
 1.32A 2dttD-4btgA:
undetectable
2dttE-4btgA:
undetectable		 2dttD-4btgA:
10.60
2dttE-4btgA:
10.60
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.
4c25 L-FUCULOSE PHOSPHATE
ALDOLASE

(Streptococcus
pneumoniae) 		PF00596
(Aldolase_II) 		5 HIS A 155
HIS A  95
HIS A  93
THR A 130
GLU A  74
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
None
13P  A 303 (-4.1A)
 1.10A 2dttD-4c25A:
undetectable
2dttE-4c25A:
undetectable		 2dttD-4c25A:
21.86
2dttE-4c25A:
21.86
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.
4dqv PROBABLE PEPTIDE
SYNTHETASE NRP
(PEPTIDE SYNTHASE)

(Mycobacterium
tuberculosis) 		PF07993
(NAD_binding_4) 		5 TYR A 335
VAL A 422
HIS A 341
THR A 415
GLU A 207
 None
 1.36A 2dttD-4dqvA:
undetectable
2dttE-4dqvA:
undetectable		 2dttD-4dqvA:
15.35
2dttE-4dqvA:
15.35
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.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 LEU A 287
HIS A 221
HIS A  74
THR A 308
GLU A 322
 None
ZN  A 501 (-3.3A)
ZN  A 501 (-3.2A)
None
MG  A 502 (-4.4A)
 1.29A 2dttD-4dykA:
undetectable
2dttE-4dykA:
undetectable		 2dttD-4dykA:
13.73
2dttE-4dykA:
13.73
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.
4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE

(Chromobacterium
violaceum) 		PF01979
(Amidohydro_1) 		5 LEU A 285
HIS A 219
HIS A  72
THR A 306
GLU A 320
 None
NOS  A 501 (-3.5A)
NOS  A 501 (-3.7A)
None
None
 1.33A 2dttD-4f0sA:
undetectable
2dttE-4f0sA:
undetectable		 2dttD-4f0sA:
15.65
2dttE-4f0sA:
15.65
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.
4gxw ADENOSINE DEAMINASE

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		5 HIS A  34
VAL A 264
HIS A 240
HIS A 215
THR A 299
 ZN  A 401 (-3.4A)
None
None
ZN  A 401 (-3.4A)
None
 1.31A 2dttD-4gxwA:
undetectable
2dttE-4gxwA:
undetectable		 2dttD-4gxwA:
15.61
2dttE-4gxwA:
15.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ntm 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE

(Escherichia
coli) 		PF01242
(PTPS) 		6 HIS A  16
HIS A  31
HIS A  33
THR A  84
GLU A  86
GLU A 110
 ZN  A 201 ( 3.3A)
ZN  A 201 ( 3.2A)
ZN  A 201 ( 3.2A)
2K8  A 202 (-4.6A)
2K8  A 202 (-3.3A)
2K8  A 202 (-2.7A)
 0.67A 2dttD-4ntmA:
15.9
2dttE-4ntmA:
16.9		 2dttD-4ntmA:
35.20
2dttE-4ntmA:
35.20
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.
4zpr HYPOXIA-INDUCIBLE
FACTOR 1-ALPHA

(Mus musculus) 		PF00989
(PAS)
PF08447
(PAS_3) 		5 TYR B 340
HIS B 291
THR B 301
THR B 302
GLU B 318
 None
 1.50A 2dttD-4zprB:
undetectable
2dttE-4zprB:
undetectable		 2dttD-4zprB:
16.76
2dttE-4zprB:
16.76
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.
5bpx 2,4'-DIHYDROXYACETOP
HENONE DIOXYGENASE

(Alcaligenes sp.) 		PF07883
(Cupin_2) 		5 LEU A  65
HIS A  78
VAL A  82
HIS A 114
HIS A  76
 None
FE  A 201 ( 3.2A)
None
FE  A 201 ( 3.2A)
FE  A 201 ( 3.1A)
 1.06A 2dttD-5bpxA:
undetectable
2dttE-5bpxA:
undetectable		 2dttD-5bpxA:
22.15
2dttE-5bpxA:
22.15
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.
5dl6 PUTATIVE PORIN FOR
VANILLATE
TRAFFICKING (VANP)

(Acinetobacter
baumannii) 		PF03573
(OprD) 		5 PHE A 296
LEU A 297
HIS A 252
THR A 326
GLU A 345
 None
 1.32A 2dttD-5dl6A:
undetectable
2dttE-5dl6A:
undetectable		 2dttD-5dl6A:
14.63
2dttE-5dl6A:
14.63
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.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT B

(Methanothermococcus
thermolithotrophicus) 		PF02754
(CCG) 		5 LEU B 266
VAL B 284
HIS B 280
HIS B 235
THR B 227
 None
 1.40A 2dttD-5odrB:
undetectable
2dttE-5odrB:
undetectable		 2dttD-5odrB:
23.19
2dttE-5odrB:
23.19
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.
6bp2 ENVELOPE
GLYCOPROTEIN
ENVELOPE
GLYCOPROTEIN GP2

(Marburg
marburgvirus) 		no annotation 5 LEU B 559
HIS A 175
VAL A 170
THR A  84
GLU A  85
 None
 1.48A 2dttD-6bp2B:
undetectable
2dttE-6bp2B:
undetectable		 2dttD-6bp2B:
25.24
2dttE-6bp2B:
25.24
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.
6btg FUCULOSE PHOSPHATE
ALDOLASE

(Bacillus
thuringiensis) 		no annotation 5 HIS A 157
HIS A  97
HIS A  95
THR A 132
GLU A  76
 MN  A 301 ( 3.2A)
MN  A 301 ( 3.3A)
MN  A 301 (-3.3A)
None
13P  A 302 ( 3.6A)
 1.16A 2dttD-6btgA:
undetectable
2dttE-6btgA:
undetectable		 2dttD-6btgA:
24.79
2dttE-6btgA:
24.79
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.
6d0p PIRIN FAMILY PROTEIN

(Acinetobacter
baumannii) 		no annotation 5 PHE A  20
HIS A  61
HIS A  63
HIS A 105
GLU A 107
 PEG  A 304 ( 4.2A)
MN  A 303 ( 3.3A)
MN  A 303 (-3.4A)
MN  A 303 (-3.4A)
MN  A 303 ( 2.9A)
 1.24A 2dttD-6d0pA:
undetectable
2dttE-6d0pA:
undetectable		 2dttD-6d0pA:
19.13
2dttE-6d0pA:
19.13
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.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 5 HIS A 526
HIS A 548
THR A 518
THR A 521
GLU A 524
 None
 1.45A 2dttD-6eoqA:
undetectable
2dttE-6eoqA:
undetectable		 2dttD-6eoqA:
20.51
2dttE-6eoqA:
20.51
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.
6f74 ALCOHOL OXIDASE

(Thermothelomyces
thermophila) 		no annotation 5 HIS A 205
HIS A 301
THR A 274
GLU A 279
GLU A 262
 None
 1.49A 2dttD-6f74A:
undetectable
2dttE-6f74A:
undetectable		 2dttD-6f74A:
20.00
2dttE-6f74A:
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.
6fv4 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		no annotation 5 HIS A 188
HIS A 134
THR A 208
GLU A 237
GLU A 122
 CD  A 403 ( 3.6A)
16G  A 402 (-4.0A)
None
None
CD  A 403 (-2.4A)
 1.47A 2dttD-6fv4A:
undetectable
2dttE-6fv4A:
undetectable		 2dttD-6fv4A:
17.54
2dttE-6fv4A:
17.54