SIMILAR PATTERNS OF AMINO ACIDS FOR 3GCL_A_AINA609

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.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		4 HIS A  95
ARG C 239
GLU C 242
PHE C 366
 CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
None
 0.72A 3gclA-1d7wA:
undetectable		 3gclA-1d7wA:
38.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		4 HIS A  95
ARG C 239
GLU C 242
PRO C 220
 CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
None
 1.18A 3gclA-1d7wA:
undetectable		 3gclA-1d7wA:
38.17
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.
1e5i DEACETOXYCEPHALOSPOR
IN C SYNTHASE

(Streptomyces
clavuligerus) 		PF03171
(2OG-FeII_Oxy) 		4 ARG A  24
GLU A  21
PHE A   8
PRO A   6
 None
 0.90A 3gclA-1e5iA:
0.0		 3gclA-1e5iA:
20.47
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.
1gl9 REVERSE GYRASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		4 ARG B 816
GLU B 845
GLN B 891
PRO B 773
 None
 0.97A 3gclA-1gl9B:
0.0		 3gclA-1gl9B:
20.27
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.
1gvf TAGATOSE-BISPHOSPHAT
E ALDOLASE AGAY

(Escherichia
coli) 		PF01116
(F_bP_aldolase) 		4 ARG A 198
GLU A 199
GLN A 158
PRO A 157
 None
 1.46A 3gclA-1gvfA:
0.0		 3gclA-1gvfA:
17.33
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.
1h9e LAMINA-ASSOCIATED
POLYPEPTIDE 2

(Homo sapiens) 		PF08198
(Thymopoietin) 		4 ARG A  49
GLU A   5
PHE A   3
PRO A   7
 None
 1.13A 3gclA-1h9eA:
undetectable		 3gclA-1h9eA:
8.92
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.
1ji4 NEUTROPHIL-ACTIVATIN
G PROTEIN A

(Helicobacter
pylori) 		PF00210
(Ferritin) 		4 ARG A  57
GLU A  56
GLN A  11
PRO A  65
 None
FE  A 807 (-2.6A)
None
None
 1.44A 3gclA-1ji4A:
0.0		 3gclA-1ji4A:
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.
1q7l AMINOACYLASE-1

(Homo sapiens) 		PF01546
(Peptidase_M20) 		4 HIS B 373
GLU A 175
PHE A 187
PRO B 344
 ZN  A1001 ( 3.2A)
ZN  A1002 ( 1.9A)
None
None
 1.29A 3gclA-1q7lB:
undetectable		 3gclA-1q7lB:
9.21
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.
1sjw NOGALONIC ACID
METHYL ESTER CYCLASE

(Streptomyces
nogalater) 		PF07366
(SnoaL) 		4 HIS A  39
PHE A 125
GLN A 105
PRO A 123
 None
NGV  A 333 (-4.5A)
NGV  A 333 (-2.8A)
NGV  A 333 (-4.5A)
 1.06A 3gclA-1sjwA:
undetectable		 3gclA-1sjwA:
12.43
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.
1un9 DIHYDROXYACETONE
KINASE

(Citrobacter
freundii) 		PF02733
(Dak1)
PF02734
(Dak2) 		4 HIS A  61
PHE A   4
GLN A 200
PRO A 199
 2HA  A1554 (-3.7A)
None
None
None
 1.32A 3gclA-1un9A:
0.3		 3gclA-1un9A:
22.44
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.
1wdt ELONGATION FACTOR G
HOMOLOG

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		4 HIS A 177
GLU A 270
PHE A 238
PRO A 249
 None
 1.44A 3gclA-1wdtA:
0.0		 3gclA-1wdtA:
22.08
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.
2afh NITROGENASE
MOLYBDENUM-IRON
PROTEIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		4 HIS B 297
GLU B 231
PHE B 237
PRO B 257
 None
 1.24A 3gclA-2afhB:
undetectable		 3gclA-2afhB:
22.55
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.
2dpg GLUCOSE 6-PHOSPHATE
DEHYDROGENASE

(Leuconostoc
mesenteroides) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		4 HIS A 178
GLU A 147
PHE A 123
PRO A 120
 None
 1.35A 3gclA-2dpgA:
undetectable		 3gclA-2dpgA:
22.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gjm LACTOPEROXIDASE

(Bubalus bubalis) 		PF03098
(An_peroxidase) 		6 HIS A  95
ARG A 239
GLU A 242
PHE A 366
GLN A 408
PRO A 409
 SCN  A1502 ( 4.8A)
HEM  A 605 (-4.7A)
HEM  A 605 ( 2.2A)
None
HEM  A 605 ( 4.6A)
None
 0.52A 3gclA-2gjmA:
61.4		 3gclA-2gjmA:
99.66
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.
2gza TYPE IV SECRETION
SYSTEM PROTEIN
VIRB11

(Brucella suis) 		PF00437
(T2SSE) 		4 HIS A 222
GLU A 111
PHE A 226
PRO A 212
 None
 1.28A 3gclA-2gzaA:
undetectable		 3gclA-2gzaA:
22.11
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.
2kwc AUTOPHAGY-RELATED
PROTEIN 8

(Saccharomyces
cerevisiae) 		PF02991
(Atg8) 		4 ARG A  20
GLU A  17
PHE A 104
PRO A  30
 None
 1.43A 3gclA-2kwcA:
undetectable		 3gclA-2kwcA:
9.58
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.
2nbr GAMMA-CRYSTALLIN C

(Homo sapiens) 		PF00030
(Crystall) 		4 GLU A  61
PHE A  11
GLN A  67
PRO A  63
 None
 1.32A 3gclA-2nbrA:
undetectable		 3gclA-2nbrA:
15.16
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.
2p28 INTEGRIN BETA-2

(Homo sapiens) 		PF17205
(PSI_integrin)
no annotation 		4 ARG B 426
GLU B 424
GLN B 422
PRO A  59
 None
 1.26A 3gclA-2p28B:
undetectable		 3gclA-2p28B:
16.52
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.
2qsf DNA REPAIR PROTEIN
RAD4

(Saccharomyces
cerevisiae) 		PF03835
(Rad4)
PF10403
(BHD_1)
PF10405
(BHD_3) 		4 ARG A 194
PHE A 323
GLN A 186
PRO A 185
 None
 1.50A 3gclA-2qsfA:
undetectable		 3gclA-2qsfA:
20.19
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.
2ro1 TRANSCRIPTION
INTERMEDIARY FACTOR
1-BETA

(Homo sapiens) 		PF00628
(PHD) 		4 ARG A 706
GLU A 705
PHE A 761
PRO A 758
 None
 1.38A 3gclA-2ro1A:
undetectable		 3gclA-2ro1A:
16.86
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.
3cj1 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 2

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		4 HIS A 225
ARG A 234
PHE A 334
PRO A 336
 None
 1.32A 3gclA-3cj1A:
undetectable		 3gclA-3cj1A:
23.10
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.
3ck6 PUTATIVE MEMBRANE
TRANSPORT PROTEIN

(Vibrio
parahaemolyticus) 		PF01544
(CorA) 		4 HIS A  32
ARG A 119
PHE A  10
PRO A 128
 CL  A 250 (-4.3A)
None
None
None
 1.45A 3gclA-3ck6A:
undetectable		 3gclA-3ck6A:
18.36
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN

(Escherichia
coli) 		PF13247
(Fer4_11)
PF14711
(Nitr_red_bet_C) 		4 ARG B 348
GLU B 346
GLN B  59
PRO B 228
 None
 1.50A 3gclA-3egwB:
undetectable		 3gclA-3egwB:
23.06
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.
3fgw PUTATIVE
PHOSPHOLIPASE B-LIKE
2

(Mus musculus) 		PF04916
(Phospholip_B) 		4 ARG A 287
GLU A 288
GLN A 186
PRO A 182
 None
 1.47A 3gclA-3fgwA:
undetectable		 3gclA-3fgwA:
23.77
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.
3il0 XAA-PRO
AMINOPEPTIDASE
AMINOPEPTIDASE P

(Streptococcus
thermophilus) 		PF01321
(Creatinase_N) 		4 ARG A   7
GLU A 123
PHE A 120
GLN A  14
 None
 1.34A 3gclA-3il0A:
undetectable		 3gclA-3il0A:
12.61
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.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		4 HIS A 233
PHE A 469
GLN A 466
PRO A 464
 None
 1.37A 3gclA-3iuuA:
undetectable		 3gclA-3iuuA:
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.
3m4x NOL1/NOP2/SUN FAMILY
PROTEIN

(Enterococcus
faecium) 		PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		4 HIS A  82
ARG A 152
PHE A 449
PRO A 450
 None
 1.07A 3gclA-3m4xA:
undetectable		 3gclA-3m4xA:
21.53
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.
3mvu TENA FAMILY
TRANSCRIPTIONAL
REGULATOR

(Ruegeria sp.
TM1040) 		PF03070
(TENA_THI-4) 		4 HIS A  25
ARG A 150
GLU A 146
GLN A 173
 None
 1.25A 3gclA-3mvuA:
undetectable		 3gclA-3mvuA:
18.80
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.
3qp9 TYPE I POLYKETIDE
SYNTHASE PIKAII

(Streptomyces
venezuelae) 		PF08659
(KR) 		4 ARG A 361
PHE A 400
GLN A 407
PRO A 149
 None
 1.13A 3gclA-3qp9A:
undetectable		 3gclA-3qp9A:
24.53
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.
3qp9 TYPE I POLYKETIDE
SYNTHASE PIKAII

(Streptomyces
venezuelae) 		PF08659
(KR) 		4 HIS A 358
PHE A 400
GLN A 407
PRO A 149
 None
 1.45A 3gclA-3qp9A:
undetectable		 3gclA-3qp9A:
24.53
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.
3umv DEOXYRIBODIPYRIMIDIN
E PHOTO-LYASE

(Oryza sativa) 		PF00875
(DNA_photolyase) 		4 ARG A 214
GLU A 215
PHE A 112
PRO A 110
 None
None
URE  A 905 (-4.8A)
None
 1.42A 3gclA-3umvA:
undetectable		 3gclA-3umvA:
22.89
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.
3uw2 PHOSPHOGLUCOMUTASE/P
HOSPHOMANNOMUTASE
FAMILY PROTEIN

(Burkholderia
thailandensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 ARG A 123
GLU A  35
PHE A  32
GLN A 131
 None
None
None
EDO  A 469 (-3.7A)
 1.39A 3gclA-3uw2A:
undetectable		 3gclA-3uw2A:
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.
4am6 ACTIN-LIKE PROTEIN
ARP8

(Saccharomyces
cerevisiae) 		PF00022
(Actin) 		4 ARG A 722
PHE A 825
GLN A 765
PRO A 764
 None
 1.35A 3gclA-4am6A:
undetectable		 3gclA-4am6A:
22.76
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.
4evd NEUTROPHIL-ACTIVATIN
G PROTEIN

(Helicobacter
pylori) 		PF00210
(Ferritin) 		4 ARG A  57
GLU A  56
GLN A  11
PRO A  65
 None
 1.49A 3gclA-4evdA:
undetectable		 3gclA-4evdA:
13.71
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.
4ilk STARVATION SENSING
PROTEIN RSPB

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 HIS A  47
GLU A 324
PHE A 323
GLN A 327
 None
 0.96A 3gclA-4ilkA:
undetectable		 3gclA-4ilkA:
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.
4jb1 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Pseudomonas
aeruginosa) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		4 ARG A 314
PHE A 240
GLN A 321
PRO A 334
 None
None
GOL  A 408 (-2.7A)
GOL  A 408 (-3.9A)
 1.16A 3gclA-4jb1A:
undetectable		 3gclA-4jb1A:
21.78
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.
4nk6 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		4 ARG A 186
GLU A 213
GLN A 189
PRO A 229
 None
MLY  A 191 ( 4.8A)
None
None
 1.30A 3gclA-4nk6A:
undetectable		 3gclA-4nk6A:
22.60
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.
4ozy POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		4 ARG A 186
GLU A 213
GLN A 189
PRO A 229
 None
MLY  A 191 ( 4.8A)
None
None
 1.23A 3gclA-4ozyA:
undetectable		 3gclA-4ozyA:
21.72
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.
4p2l SULFHYDRYL OXIDASE 1

(Rattus
norvegicus) 		PF00085
(Thioredoxin)
PF04777
(Evr1_Alr) 		4 GLU A 400
PHE A 403
GLN A 500
PRO A 499
 None
 1.11A 3gclA-4p2lA:
undetectable		 3gclA-4p2lA:
21.92
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.
4qn3 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ARG A  25
GLU A  28
PHE A 389
GLN A 387
 None
 1.48A 3gclA-4qn3A:
undetectable		 3gclA-4qn3A:
19.43
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.
4v36 LYSYL-TRNA-DEPENDENT
L-YSYL-PHOSPHATIDYLG
YCEROL SYNTHASE

(Bacillus
licheniformis) 		PF09924
(DUF2156) 		4 GLU A 668
PHE A 672
GLN A 669
PRO A 670
 None
 1.46A 3gclA-4v36A:
undetectable		 3gclA-4v36A:
21.30
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.
4zdh BETA CHAIN OF JKF6
T-CELL
RECEPTOR,PROTEIN
TRBV28

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 HIS B 153
ARG B 109
GLN B   6
PRO B 106
 None
 1.32A 3gclA-4zdhB:
undetectable		 3gclA-4zdhB:
16.97
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.
4zpm PROTEIN PCDHAC2

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 HIS A 126
GLU A 128
PHE A 106
GLN A 131
 None
 1.08A 3gclA-4zpmA:
undetectable		 3gclA-4zpmA:
20.64
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.
5czj DIHYDRODIPICOLINATE
SYNTHASE

(Sinorhizobium
meliloti) 		PF00701
(DHDPS) 		4 HIS A 109
ARG A  80
PHE A  45
PRO A  43
 None
 1.49A 3gclA-5czjA:
undetectable		 3gclA-5czjA:
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.
5dmx D-ALANINE--D-ALANINE
LIGASE

(Acinetobacter
baumannii) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		4 ARG A 241
PHE A 188
GLN A 192
PRO A 193
 None
 1.06A 3gclA-5dmxA:
undetectable		 3gclA-5dmxA:
19.63
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.
5e3b MACRODOMAIN PROTEIN

(Streptomyces
coelicolor) 		no annotation 4 ARG A  43
GLU A  74
GLN A  46
PRO A  47
 None
 1.38A 3gclA-5e3bA:
undetectable		 3gclA-5e3bA:
14.79
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.
5euo PF6 TCR BETA CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 HIS F 150
ARG F 106
GLN F   4
PRO F 103
 None
 1.33A 3gclA-5euoF:
undetectable		 3gclA-5euoF:
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.
5i3s INOSITOL
MONOPHOSPHATASE
FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00459
(Inositol_P) 		4 HIS A 266
PHE A 209
GLN A 205
PRO A 206
 None
 1.12A 3gclA-5i3sA:
undetectable		 3gclA-5i3sA:
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.
5ixp EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Kribbella
flavida) 		PF13416
(SBP_bac_8) 		4 HIS A  84
GLU A 102
PHE A 119
GLN A 323
 None
 1.46A 3gclA-5ixpA:
undetectable		 3gclA-5ixpA:
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.
5oqm GENERAL
TRANSCRIPTION AND
DNA REPAIR FACTOR
IIH HELICASE SUBUNIT
XPB

(Saccharomyces
cerevisiae) 		no annotation 4 ARG 7 757
GLU 7 564
PHE 7 565
PRO 7 585
 None
 1.35A 3gclA-5oqm7:
undetectable		 3gclA-5oqm7:
8.79
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.
5u56 MACROPHAGE GROWTH
LOCUS A

(Francisella
tularensis) 		PF13417
(GST_N_3) 		4 ARG A 142
GLU A 141
GLN A  88
PRO A  83
 GOL  A 302 ( 4.3A)
None
1PE  A 303 (-3.9A)
None
 1.45A 3gclA-5u56A:
undetectable		 3gclA-5u56A:
16.51
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.
5ubk ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		4 HIS A  23
PHE A 518
GLN A 440
PRO A 452
 None
 1.35A 3gclA-5ubkA:
undetectable		 3gclA-5ubkA:
21.94
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.
5w99 PBTD

(Planobispora
rosea) 		no annotation 4 HIS A  38
ARG A 113
GLU A  92
GLN A  93
 None
 1.36A 3gclA-5w99A:
0.0		 3gclA-5w99A:
9.08
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.
5xxu RIBOSOMAL PROTEIN
ES25
RIBOSOMAL PROTEIN
US7

(Toxoplasma
gondii) 		PF00177
(Ribosomal_S7)
PF03297
(Ribosomal_S25) 		4 HIS Z 149
ARG F  79
PHE F   8
PRO F  38
 C  21528 ( 4.9A)
G  21527 ( 4.9A)
None
None
 1.32A 3gclA-5xxuZ:
undetectable		 3gclA-5xxuZ:
14.33
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.
5yk2 PROBABLE CONSERVED
ATP-BINDING PROTEIN
ABC TRANSPORTER

(Mycobacterium
tuberculosis) 		no annotation 4 ARG A 360
PHE A 371
GLN A 367
PRO A 365
 None
 1.47A 3gclA-5yk2A:
undetectable		 3gclA-5yk2A:
11.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6caj TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT BETA

(Homo sapiens) 		no annotation 4 ARG C 172
GLU C  32
PHE C 272
PRO C 270
 None
 1.23A 3gclA-6cajC:
0.6		 3gclA-6cajC:
8.11
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 4 ARG B 278
GLU B 280
PHE B 750
PRO B 754
 None
 1.29A 3gclA-6f0kB:
undetectable		 3gclA-6f0kB:
9.83