SIMILAR PATTERNS OF AMINO ACIDS FOR 1D1G_B_MTXB171_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.
1b7e PROTEIN (TRANSPOSASE
INHIBITOR PROTEIN
FROM TN5)

(Escherichia
coli) 		PF01609
(DDE_Tnp_1)
PF02281
(Dimer_Tnp_Tn5) 		5 ALA A 261
ARG A 322
GLU A 285
LEU A 300
ILE A 316
 None
 1.18A 1d1gB-1b7eA:
undetectable		 1d1gB-1b7eA:
17.11
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.
1ciy CRYIA(A)

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 GLU A 602
ILE A 601
LEU A 585
ILE A 598
THR A 553
 None
 1.11A 1d1gB-1ciyA:
undetectable		 1d1gB-1ciyA:
14.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		9 VAL A   6
ALA A   8
ASP A  27
GLU A  50
ARG A  53
LEU A  55
ARG A  58
ILE A 100
THR A 121
 None
 0.64A 1d1gB-1cz3A:
31.1		 1d1gB-1cz3A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		9 VAL A   6
ALA A   8
ASP A  27
GLU A  50
ILE A  51
LEU A  55
ARG A  58
ILE A 100
THR A 121
 None
 0.39A 1d1gB-1cz3A:
31.1		 1d1gB-1cz3A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		7 VAL A   6
ARG A  32
GLU A  50
ARG A  53
LEU A  55
ARG A  58
ILE A 100
 None
 1.20A 1d1gB-1cz3A:
31.1		 1d1gB-1cz3A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		7 VAL A   6
ARG A  32
GLU A  50
ILE A  51
LEU A  55
ARG A  58
ILE A 100
 None
 1.02A 1d1gB-1cz3A:
31.1		 1d1gB-1cz3A:
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		5 ALA A   9
ILE A  60
LEU A  67
ARG A  70
THR A 136
 HBI  A 198 ( 3.6A)
None
None
None
HBI  A 198 ( 4.5A)
 0.73A 1d1gB-1dr6A:
16.8		 1d1gB-1dr6A:
27.84
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 VAL A   5
ASP A  36
LEU A  63
ARG A  66
ILE A 127
 None
 0.85A 1d1gB-1juvA:
14.2		 1d1gB-1juvA:
24.64
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.
1m7j D-AMINOACYLASE

(Alcaligenes
faecalis) 		PF07969
(Amidohydro_3) 		5 GLU A 321
ILE A 322
ARG A 326
LEU A 337
ILE A 305
 None
 1.07A 1d1gB-1m7jA:
undetectable		 1d1gB-1m7jA:
18.39
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.
1mky PROBABLE GTP-BINDING
PROTEIN ENGA

(Thermotoga
maritima) 		PF01926
(MMR_HSR1)
PF14714
(KH_dom-like) 		5 VAL A 186
ARG A 188
ARG A 283
ILE A 277
ILE A 269
 None
None
PO4  A 604 (-3.7A)
None
None
 1.10A 1d1gB-1mkyA:
undetectable		 1d1gB-1mkyA:
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.
1rfz HYPOTHETICAL PROTEIN
APC35681

(Geobacillus
stearothermophilus) 		PF04608
(PgpA) 		5 VAL A  51
ALA A 152
ILE A  64
LEU A  17
ILE A  55
 None
 0.96A 1d1gB-1rfzA:
undetectable		 1d1gB-1rfzA:
24.61
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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		5 ALA A   9
ILE A  60
LEU A  67
ARG A  70
THR A 136
 NDP  A 188 (-3.6A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
MTX  A 187 (-4.4A)
 0.58A 1d1gB-1u70A:
16.8		 1d1gB-1u70A:
25.95
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		5 ALA A   9
ILE A  60
LEU A  67
ARG A  70
THR A 136
 MXA  A 187 (-3.6A)
MXA  A 187 ( 4.7A)
None
None
MXA  A 187 (-4.3A)
 0.43A 1d1gB-1u71A:
16.7		 1d1gB-1u71A:
28.27
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.
1vj0 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ARG A  79
ILE A  33
LEU A  86
ILE A  92
THR A 317
 None
 1.19A 1d1gB-1vj0A:
undetectable		 1d1gB-1vj0A:
19.10
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.
1xnj BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 1

(Homo sapiens) 		no annotation 5 ALA B 312
ASP B 316
ARG B 334
ILE B 259
THR B 313
 None
 1.10A 1d1gB-1xnjB:
undetectable		 1d1gB-1xnjB:
14.70
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) 		7 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.48A 1d1gB-1zdrA:
19.2		 1d1gB-1zdrA:
32.77
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.
2a0u INITIATION FACTOR 2B

(Leishmania
major) 		PF01008
(IF-2B) 		5 VAL A 345
ARG A  61
ARG A  34
ILE A  66
THR A 219
 None
SO4  A 402 (-4.5A)
None
None
None
 1.21A 1d1gB-2a0uA:
undetectable		 1d1gB-2a0uA:
17.19
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.
2acv TRITERPENE
UDP-GLUCOSYL
TRANSFERASE UGT71G1

(Medicago
truncatula) 		PF00201
(UDPGT) 		5 ALA A 243
ILE A 238
LEU A 153
ILE A 215
THR A 219
 None
 1.06A 1d1gB-2acvA:
undetectable		 1d1gB-2acvA:
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ALA A  15
ASP A  53
ILE A 121
LEU A 128
ARG A 131
ILE A 173
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
CP7  A1240 (-4.1A)
 0.69A 1d1gB-2blbA:
18.3		 1d1gB-2blbA:
25.97
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.
2e7u GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Thermus
thermophilus) 		PF00202
(Aminotran_3) 		5 VAL A 233
ALA A 201
ARG A 195
LEU A 181
ILE A 203
 None
 1.16A 1d1gB-2e7uA:
undetectable		 1d1gB-2e7uA:
19.32
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.
2f4i HYPOTHETICAL PROTEIN
TM0957

(Thermotoga
maritima) 		PF10054
(DUF2291) 		5 ALA A 137
ILE A 204
LEU A 123
ILE A  96
THR A 138
 None
MLY  A 201 ( 4.6A)
None
None
None
 0.99A 1d1gB-2f4iA:
undetectable		 1d1gB-2f4iA:
25.79
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 VAL A  26
ALA A  28
ASP A  48
ARG A  53
ILE A 154
 None
NAP  A 523 (-3.7A)
None
None
None
 1.04A 1d1gB-2h2qA:
18.2		 1d1gB-2h2qA:
16.50
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 VAL A  26
ALA A  28
ASP A  48
ILE A  84
LEU A  91
ARG A  94
ILE A 154
THR A 178
 None
NAP  A 523 (-3.7A)
None
None
None
None
None
None
 0.70A 1d1gB-2h2qA:
18.2		 1d1gB-2h2qA:
16.50
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.
2hly HYPOTHETICAL PROTEIN
ATU2299

(Agrobacterium
fabrum) 		PF09641
(DUF2026) 		5 ALA A 102
ASP A  99
ILE A   7
LEU A  45
ILE A  15
 None
 1.07A 1d1gB-2hlyA:
undetectable		 1d1gB-2hlyA:
15.79
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.
2i3o GAMMA-GLUTAMYLTRANSF
ERASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF01019
(G_glu_transpept) 		5 ALA A 124
ASP A  38
ILE A 346
ILE A  65
THR A 125
 None
 1.20A 1d1gB-2i3oA:
undetectable		 1d1gB-2i3oA:
17.47
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.
2j6p SB(V)-AS(V)
REDUCTASE

(Leishmania
major) 		PF00581
(Rhodanese) 		5 VAL A  27
ALA A  25
GLU A  14
ARG A 121
LEU A 124
 None
 1.16A 1d1gB-2j6pA:
undetectable		 1d1gB-2j6pA:
22.63
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.
2jn4 HYPOTHETICAL PROTEIN
FIXU, NIFT

(Rhodopseudomonas
palustris) 		PF06988
(NifT) 		5 VAL A  61
ALA A  63
ILE A  25
LEU A  33
ILE A   5
 None
 1.09A 1d1gB-2jn4A:
undetectable		 1d1gB-2jn4A:
20.25
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.
2jvf DE NOVO PROTEIN M7

(unidentified) 		no annotation 5 VAL A  21
GLU A  16
ILE A   6
LEU A  34
ILE A  19
 None
 1.19A 1d1gB-2jvfA:
undetectable		 1d1gB-2jvfA:
21.82
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.
2l26 UNCHARACTERIZED
PROTEIN
RV0899/MT0922

(Mycobacterium
tuberculosis) 		PF00691
(OmpA)
PF04972
(BON) 		5 VAL A 218
GLU A 322
ILE A 323
LEU A 247
ILE A 215
 None
 1.12A 1d1gB-2l26A:
undetectable		 1d1gB-2l26A:
21.60
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 VAL A   9
ALA A  11
ASP A  32
ILE A  62
LEU A  67
ARG A  70
THR A 134
 MTX  A 605 ( 4.0A)
MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
MTX  A 605 ( 4.2A)
 0.52A 1d1gB-2oipA:
19.6		 1d1gB-2oipA:
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.
2q2e TYPE II DNA
TOPOISOMERASE VI
SUBUNIT A

(Methanosarcina
mazei) 		PF04406
(TP6A_N) 		5 VAL A 266
ALA A 231
ARG A 236
ARG A 240
GLU A 130
 None
 1.21A 1d1gB-2q2eA:
undetectable		 1d1gB-2q2eA:
16.98
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.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		6 ALA A   8
ILE A  51
ARG A  53
LEU A  55
ARG A  58
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 3.5A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.4A)
 0.55A 1d1gB-2qk8A:
20.0		 1d1gB-2qk8A:
29.55
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.
2qzq AXIN INTERACTOR,
DORSALIZATION
ASSOCIATED PROTEIN

(Danio rerio) 		PF14186
(Aida_C2) 		5 VAL A  56
GLU A 130
ILE A 131
LEU A  34
ILE A 104
 None
 1.05A 1d1gB-2qzqA:
undetectable		 1d1gB-2qzqA:
24.86
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.
2vl8 CYTOTOXIN L

(Paeniclostridium
sordellii) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		5 VAL A 473
ARG A 253
LEU A 254
ILE A 403
THR A 489
 None
 1.10A 1d1gB-2vl8A:
undetectable		 1d1gB-2vl8A:
15.17
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 VAL A   9
ALA A  11
ASP A  31
LEU A  54
ILE A 102
THR A 121
 VG9  A1168 (-4.2A)
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
None
VG9  A1168 ( 4.2A)
VG9  A1168 ( 4.7A)
 1.42A 1d1gB-2w3wA:
18.7		 1d1gB-2w3wA:
29.44
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		7 VAL A   9
ALA A  11
ASP A  31
LEU A  61
ARG A  64
ILE A 102
THR A 121
 VG9  A1168 (-4.2A)
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.2A)
VG9  A1168 ( 4.7A)
 0.61A 1d1gB-2w3wA:
18.7		 1d1gB-2w3wA:
29.44
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) 		6 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.47A 1d1gB-2w9sA:
19.1		 1d1gB-2w9sA:
32.20
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.
2x5t ORF 131

(Sulfolobus
islandicus
rod-shaped
virus 1) 		no annotation 5 VAL A  36
ARG A  33
ILE A  65
LEU A  73
ILE A  53
 None
 1.17A 1d1gB-2x5tA:
undetectable		 1d1gB-2x5tA:
22.35
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.
2xwb COMPLEMENT FACTOR B

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin)
PF00092
(VWA) 		5 ALA F 307
ILE F 217
LEU F 213
ILE F 246
THR F 311
 None
 1.00A 1d1gB-2xwbF:
undetectable		 1d1gB-2xwbF:
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.
2z2n VIRGINIAMYCIN B
LYASE

(Staphylococcus
aureus) 		no annotation 5 ALA A 225
ARG A 250
ILE A 230
ILE A 206
THR A 222
 None
 1.18A 1d1gB-2z2nA:
undetectable		 1d1gB-2z2nA:
18.57
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.
2ze4 PHOSPHOLIPASE D

(Streptomyces
antibioticus) 		PF13091
(PLDc_2) 		5 ALA A 452
GLU A 333
ILE A 334
LEU A 460
ILE A 325
 None
 1.17A 1d1gB-2ze4A:
undetectable		 1d1gB-2ze4A:
16.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
ASP A  26
ARG A  31
LEU A  54
ARG A  57
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
None
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.76A 1d1gB-3dfrA:
19.2		 1d1gB-3dfrA:
30.68
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ALA A  16
ASP A  54
ARG A  59
ILE A 112
LEU A 119
ARG A 122
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
None
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
RJ6  A 609 ( 4.5A)
 0.82A 1d1gB-3dg8A:
17.5		 1d1gB-3dg8A:
21.07
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.
3dwl ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 4

(Schizosaccharomyces
pombe) 		PF05856
(ARPC4) 		5 ASP F  80
ARG F  88
GLU F  59
ILE F  76
ILE F 146
 None
 1.07A 1d1gB-3dwlF:
undetectable		 1d1gB-3dwlF:
23.94
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.
3dxs COPPER-TRANSPORTING
ATPASE RAN1

(Arabidopsis
thaliana) 		PF00403
(HMA) 		5 VAL X  51
GLU X  61
ILE X  60
LEU X  24
ILE X  56
 None
 1.10A 1d1gB-3dxsX:
undetectable		 1d1gB-3dxsX:
18.07
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.
3h3z CYCLIC
NUCLEOTIDE-BINDING
PROTEIN

(Ruegeria
pomeroyi) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		5 VAL A 113
ILE A  16
ARG A  11
LEU A  28
ILE A 109
 None
 0.87A 1d1gB-3h3zA:
undetectable		 1d1gB-3h3zA:
23.39
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.
3hno PYROPHOSPHATE-DEPEND
ENT
PHOSPHOFRUCTOKINASE

(Nitrosospira
multiformis) 		PF00365
(PFK) 		5 VAL A 159
ALA A 302
GLU A 169
LEU A 187
ILE A 163
 None
 1.01A 1d1gB-3hnoA:
undetectable		 1d1gB-3hnoA:
16.82
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) 		6 ALA X   7
ASP X  27
ILE X  50
LEU X  54
ARG X  57
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.50A 1d1gB-3i8aX:
19.1		 1d1gB-3i8aX:
35.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		7 ALA A   8
ILE A  51
ARG A  53
LEU A  55
ARG A  58
ILE A  96
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
MTX  A 164 ( 4.2A)
MTX  A 164 (-4.3A)
 0.60A 1d1gB-3ia4A:
20.4		 1d1gB-3ia4A:
31.35
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.
3k2q PYROPHOSPHATE-DEPEND
ENT
PHOSPHOFRUCTOKINASE

(Marinobacter
hydrocarbonoclasticus) 		PF00365
(PFK) 		5 VAL A 159
ALA A 302
GLU A 169
LEU A 187
ILE A 163
 None
 1.14A 1d1gB-3k2qA:
undetectable		 1d1gB-3k2qA:
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ASP A  37
ARG A  42
LEU A  80
ARG A  83
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
None
 0.58A 1d1gB-3kjrA:
17.7		 1d1gB-3kjrA:
16.87
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ASP A  37
ILE A  73
LEU A  80
ARG A  83
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
None
 0.73A 1d1gB-3kjrA:
17.7		 1d1gB-3kjrA:
16.87
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 VAL A  32
ALA A  34
ASP A  54
ARG A  60
THR A 184
 WRA  A 602 (-4.3A)
WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
None
WRA  A 602 (-4.2A)
 1.12A 1d1gB-3rg9A:
18.2		 1d1gB-3rg9A:
28.57
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 VAL A  32
ALA A  34
ASP A  54
LEU A  97
ARG A 100
ILE A 160
THR A 184
 WRA  A 602 (-4.3A)
WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
None
None
WRA  A 602 ( 3.9A)
WRA  A 602 (-4.2A)
 0.28A 1d1gB-3rg9A:
18.2		 1d1gB-3rg9A:
28.57
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		7 ALA A   8
ASP A  28
ILE A  51
LEU A  55
ARG A  58
ILE A  96
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.27A 1d1gB-3tq9A:
20.2		 1d1gB-3tq9A:
29.03
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.
3twc PGT127 HEAVY CHAIN,
IG GAMMA-1 CHAIN C
REGION

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 109
ARG H  81
GLU H  46
ILE H  48
LEU H  80
 None
 0.98A 1d1gB-3twcH:
undetectable		 1d1gB-3twcH:
23.28
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ASP A  54
ILE A 112
LEU A 119
ARG A 122
ILE A 164
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
 0.80A 1d1gB-3um6A:
17.6		 1d1gB-3um6A:
14.71
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ASP A  54
LEU A 119
ARG A 122
ILE A 164
THR A 185
 1CY  A 609 (-2.9A)
None
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.41A 1d1gB-3um6A:
17.6		 1d1gB-3um6A:
14.71
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.
3umc HALOACID
DEHALOGENASE

(Pseudomonas
aeruginosa) 		PF13419
(HAD_2) 		5 ALA A  86
ASP A  84
GLU A  29
LEU A  34
ILE A  91
 None
 1.17A 1d1gB-3umcA:
undetectable		 1d1gB-3umcA:
20.72
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		8 VAL A   6
ALA A   8
ASP A  28
ILE A  57
LEU A  64
ARG A  67
ILE A 111
THR A 133
 None
 0.58A 1d1gB-3vcoA:
16.7		 1d1gB-3vcoA:
25.00
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.
4akk NITRATE REGULATORY
PROTEIN

(Klebsiella
oxytoca) 		PF03861
(ANTAR)
PF08376
(NIT) 		5 VAL A 377
ALA A 369
ASP A 201
ARG A 340
ILE A 343
 None
 1.13A 1d1gB-4akkA:
undetectable		 1d1gB-4akkA:
16.58
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.
4eei ADENYLOSUCCINATE
LYASE

(Francisella
tularensis) 		PF00206
(Lyase_1) 		5 ARG A  48
GLU A  78
ILE A  76
LEU A  24
ILE A  53
 None
 1.20A 1d1gB-4eeiA:
undetectable		 1d1gB-4eeiA:
18.01
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.
4ex4 MALATE SYNTHASE G

(Mycobacterium
leprae) 		PF01274
(Malate_synthase) 		5 ALA A 542
ARG A 468
ILE A 504
LEU A 447
ILE A 461
 None
 1.21A 1d1gB-4ex4A:
undetectable		 1d1gB-4ex4A:
13.64
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		6 ALA X  12
ILE X  65
LEU X  72
ARG X  75
ILE X 123
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
TOP  X 301 (-4.5A)
 0.68A 1d1gB-4g8zX:
17.1		 1d1gB-4g8zX:
26.73
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.
4gnr ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN-BRANCHED
CHAIN AMINO ACID
TRANSPORT

(Streptococcus
pneumoniae) 		PF13458
(Peripla_BP_6) 		5 ALA A 273
ARG A 250
ILE A 233
ILE A 245
THR A 274
 None
 1.04A 1d1gB-4gnrA:
undetectable		 1d1gB-4gnrA:
18.03
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.
4gs5 ACYL-COA SYNTHETASE
(AMP-FORMING)/AMP-AC
ID LIGASE II-LIKE
PROTEIN

(Dyadobacter
fermentans) 		PF00501
(AMP-binding) 		5 VAL A 296
ASP A 263
ILE A 275
LEU A 309
ILE A 297
 None
 1.07A 1d1gB-4gs5A:
undetectable		 1d1gB-4gs5A:
18.49
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		6 ALA A  11
ILE A  62
LEU A  69
ARG A  72
ILE A 112
THR A 133
 14Q  A 202 ( 3.7A)
14Q  A 202 ( 4.8A)
None
None
14Q  A 202 ( 4.2A)
14Q  A 202 ( 4.6A)
 0.81A 1d1gB-4h96A:
16.4		 1d1gB-4h96A:
28.35
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		6 ALA A  11
ILE A  62
LEU A  69
ARG A  72
ILE A 121
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 (-4.2A)
None
None
14Q  A 302 ( 4.0A)
14Q  A 302 (-4.2A)
 0.54A 1d1gB-4h98A:
16.5		 1d1gB-4h98A:
27.51
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		5 ARG A  37
ILE A  62
LEU A  69
ARG A  72
ILE A 121
 None
14Q  A 302 (-4.2A)
None
None
14Q  A 302 ( 4.0A)
 1.16A 1d1gB-4h98A:
16.5		 1d1gB-4h98A:
27.51
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.
4jwp GCN5-RELATED
N-ACETYLTRANSFERASE

(Brucella
abortus) 		PF13420
(Acetyltransf_4) 		5 ALA A   8
ASP A  12
ILE A  98
ILE A   5
THR A   9
 None
None
ACO  A 201 (-4.4A)
None
None
 1.21A 1d1gB-4jwpA:
undetectable		 1d1gB-4jwpA:
23.12
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.
4knc ALGINATE
BIOSYNTHESIS PROTEIN
ALGX

(Pseudomonas
aeruginosa) 		no annotation 5 VAL B 353
ARG B 377
ILE B 399
LEU B 427
ILE B 459
 None
 1.16A 1d1gB-4kncB:
undetectable		 1d1gB-4kncB:
16.41
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.
4l0c DEFORMYLASE

(Pseudomonas
putida) 		PF12697
(Abhydrolase_6) 		5 VAL A 212
GLU A 220
ILE A 221
LEU A 204
ILE A 213
 None
 0.87A 1d1gB-4l0cA:
undetectable		 1d1gB-4l0cA:
18.60
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.
4ls9 DHH FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 VAL A 132
ALA A 145
LEU A  59
ILE A 133
THR A 144
 None
 1.01A 1d1gB-4ls9A:
undetectable		 1d1gB-4ls9A:
18.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ALA A   7
ASP A  27
ARG A  32
LEU A  57
ARG A  60
ILE A  94
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
None
None
TMQ  A 202 ( 3.8A)
TMQ  A 202 (-4.2A)
 0.94A 1d1gB-4m2xA:
17.3		 1d1gB-4m2xA:
31.28
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) 		5 ALA A   7
ASP A  27
LEU A  55
ARG A  58
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.51A 1d1gB-4m7vA:
19.1		 1d1gB-4m7vA:
30.90
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.
4n2x DL-2-HALOACID
DEHALOGENASE

(Methylobacterium
sp. CPA1) 		PF10778
(DehI) 		5 VAL A  25
GLU A  64
ILE A  63
LEU A 123
ILE A  29
 None
 1.15A 1d1gB-4n2xA:
undetectable		 1d1gB-4n2xA:
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.
4nq3 CYANURIC ACID
AMIDOHYDROLASE

(Azorhizobium
caulinodans) 		PF09663
(Amido_AtzD_TrzD) 		5 VAL A  74
ALA A  70
ILE A  24
LEU A  20
ILE A  34
 None
 1.14A 1d1gB-4nq3A:
undetectable		 1d1gB-4nq3A:
20.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
ILE A  50
ARG A  57
ILE A  94
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.3A)
MTX  A 201 ( 4.5A)
 0.41A 1d1gB-4p68A:
19.9		 1d1gB-4p68A:
30.46
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.
4wiw GLYCOSIDE HYDROLASE
FAMILY 18

(Desulfitobacterium
hafniense) 		PF00704
(Glyco_hydro_18) 		5 ALA A 452
ARG A 381
ILE A 457
ILE A 443
THR A 450
 None
 1.16A 1d1gB-4wiwA:
undetectable		 1d1gB-4wiwA:
20.23
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.
4xeu TRANSKETOLASE

(Pseudomonas
aeruginosa) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 337
ARG A 509
GLU A 373
ILE A 428
LEU A 456
 None
 1.14A 1d1gB-4xeuA:
undetectable		 1d1gB-4xeuA:
13.79
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.
4xhp PARM HYBRID FUSION
PROTEIN

(Bacillus
thuringiensis) 		no annotation 5 VAL A 536
ALA A 486
ARG A 532
ARG A 519
ILE A 571
 None
 1.14A 1d1gB-4xhpA:
undetectable		 1d1gB-4xhpA:
12.56
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.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		5 VAL A 143
ILE A 217
ARG A 216
LEU A 158
ILE A 169
 None
 1.18A 1d1gB-4ymgA:
2.4		 1d1gB-4ymgA:
20.90
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.
4yue S4B6 FAB HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 122
ARG H  85
GLU H  49
ILE H  51
LEU H  84
 None
 0.94A 1d1gB-4yueH:
undetectable		 1d1gB-4yueH:
20.72
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.
4z8g TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA
(TP1 ABS2)

(Homo sapiens) 		no annotation 5 VAL A 375
ALA A 215
ILE A 389
ILE A 379
THR A 212
 None
 1.10A 1d1gB-4z8gA:
undetectable		 1d1gB-4z8gA:
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.
4z94 GELSOLIN,
TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA

(Homo sapiens) 		PF00626
(Gelsolin) 		5 VAL G1375
ALA G1215
ILE G1389
ILE G1379
THR G1212
 None
 1.10A 1d1gB-4z94G:
undetectable		 1d1gB-4z94G:
18.73
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.
4zcf RESTRICTION
ENDONUCLEASE
ECOP15I,
MODIFICATION SUBUNIT

(Escherichia
coli) 		PF01555
(N6_N4_Mtase) 		5 ASP A 439
ILE A 178
LEU A 182
ILE A 197
THR A 447
 None
 1.12A 1d1gB-4zcfA:
undetectable		 1d1gB-4zcfA:
14.68
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.
5cmc ML032222A IGLUR

(Mnemiopsis
leidyi) 		PF10613
(Lig_chan-Glu_bd) 		5 ASP A  60
ARG A 144
ILE A  88
LEU A  92
ILE A  77
 None
GLY  A 301 (-3.0A)
None
GLY  A 301 ( 4.7A)
None
 1.13A 1d1gB-5cmcA:
undetectable		 1d1gB-5cmcA:
22.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		6 ALA A   7
ILE A  67
LEU A  71
ARG A  74
ILE A 111
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.48A 1d1gB-5dxvA:
13.4		 1d1gB-5dxvA:
30.43
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.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 GLU C 120
ILE C 122
LEU C 437
ILE C 451
THR C 482
 None
 1.20A 1d1gB-5fseC:
undetectable		 1d1gB-5fseC:
14.46
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.
5jju UNCHARACTERIZED
PROTEIN RV2837C

(Mycobacterium
tuberculosis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 VAL A 128
ALA A 141
LEU A  55
ILE A 129
THR A 140
 None
 1.07A 1d1gB-5jjuA:
undetectable		 1d1gB-5jjuA:
17.17
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.
5kin TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Streptococcus
pneumoniae) 		PF00290
(Trp_syntA) 		5 ASP A  28
GLU A  52
ILE A  51
LEU A  43
ILE A 236
 None
 1.18A 1d1gB-5kinA:
undetectable		 1d1gB-5kinA:
21.12
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.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		5 ALA A 655
ARG A 659
GLU A 714
ILE A 715
ARG A 668
 None
 1.14A 1d1gB-5mswA:
undetectable		 1d1gB-5mswA:
9.70
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.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		5 ALA A 655
ARG A 659
GLU A 714
ILE A 715
ILE A 661
 None
 1.19A 1d1gB-5mswA:
undetectable		 1d1gB-5mswA:
9.70
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.
5nv5 FIC FAMILY PROTEIN

(Enterococcus
faecalis) 		no annotation 5 VAL A 204
ASP A  38
ILE A 130
LEU A  60
ILE A 190
 None
 1.20A 1d1gB-5nv5A:
undetectable		 1d1gB-5nv5A:
19.16
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 VAL A   8
ALA A  10
ASP A  31
LEU A  94
ARG A  97
THR A 172
 73X  A 704 (-3.7A)
73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
None
None
73X  A 704 (-4.2A)
 0.36A 1d1gB-5t0lA:
17.8		 1d1gB-5t0lA:
16.82
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.
5xt3 PHOSPHODIESTERASE
ACTING ON CYCLIC
DINUCLEOTIDES

(Staphylococcus
aureus) 		no annotation 5 VAL A 415
ILE A 324
LEU A 472
ILE A 440
THR A 413
 None
 1.18A 1d1gB-5xt3A:
undetectable		 1d1gB-5xt3A:
18.59
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ALA A   8
ASP A  28
LEU A  58
ARG A  61
ILE A  92
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.42A 1d1gB-6cxmA:
16.8		 1d1gB-6cxmA:
29.52
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.
6e4e -

(-) 		no annotation 6 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.42A 1d1gB-6e4eA:
19.0		 1d1gB-6e4eA:
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.
6f3m -

(-) 		no annotation 5 ALA B 250
GLU B 327
ILE B 328
LEU B 309
ILE B 294
 NAD  B 501 ( 4.6A)
None
None
None
None
 1.00A 1d1gB-6f3mB:
undetectable		 1d1gB-6f3mB:
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.
6fah CAFFEYL-COA
REDUCTASE-ETF
COMPLEX SUBUNIT CARD

(Acetobacterium
woodii) 		no annotation 5 VAL B 157
GLU B  51
ILE B  48
LEU B 114
ILE B 148
 None
 1.06A 1d1gB-6fahB:
undetectable		 1d1gB-6fahB:
21.02