SIMILAR PATTERNS OF AMINO ACIDS FOR 2IGT_C_SAMC1003_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.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		4 ASP A 168
ASP A 121
ASP A  81
GLY A 152
 None
 1.20A 2igtC-1cu1A:
3.4		 2igtC-1cu1A:
19.39
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.
1f8w NADH PEROXIDASE

(Enterococcus
faecalis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ASP A 182
ASP A 179
ASP A 195
GLY A 186
 None
 1.49A 2igtC-1f8wA:
3.6		 2igtC-1f8wA:
22.39
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.
1gcy GLUCAN
1,4-ALPHA-MALTOTETRA
HYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		4 ASP A 291
ASP A 334
ASP A 294
GLY A 303
 None
 1.03A 2igtC-1gcyA:
undetectable		 2igtC-1gcyA:
22.38
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.
1idu VANADIUM
CHLOROPEROXIDASE

(Curvularia
inaequalis) 		PF01569
(PAP2) 		4 ASP A 252
ASP A 243
ASP A 515
GLY A 539
 None
 1.42A 2igtC-1iduA:
undetectable		 2igtC-1iduA:
20.36
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.
1jmz AMINE DEHYDROGENASE
AMINE DEHYDROGENASE

(Pseudomonas
putida;
Pseudomonas
putida) 		no annotation
PF08992
(QH-AmDH_gamma) 		4 ASP B 338
ASP B 317
ASP G  33
GLY B 312
 None
None
PND  G 101 (-3.1A)
None
 1.29A 2igtC-1jmzB:
undetectable		 2igtC-1jmzB:
20.10
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.
1jn1 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Haemophilus
influenzae) 		PF02542
(YgbB) 		4 ASP A   9
ASP A  57
ASP A  37
GLY A  31
 CO  A 201 (-2.5A)
None
None
None
 1.39A 2igtC-1jn1A:
undetectable		 2igtC-1jn1A:
20.58
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.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum) 		PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ) 		4 ASP A1028
ASP A1030
ASP A 968
GLY A 984
 None
 1.36A 2igtC-1k32A:
undetectable		 2igtC-1k32A:
15.52
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.
1p2f RESPONSE REGULATOR

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		4 ASP A 131
ASP A 124
ASP A  83
GLY A  89
 None
 1.20A 2igtC-1p2fA:
4.3		 2igtC-1p2fA:
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.
1pwo PHOSPHOLIPASE A2

(Micropechis
ikaheca) 		PF00068
(Phospholip_A2_1) 		4 ASP A  42
ASP A  49
ASP A  24
GLY A  33
 None
 1.11A 2igtC-1pwoA:
undetectable		 2igtC-1pwoA:
17.41
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.
1s7h YKOF

(Bacillus
subtilis) 		PF07615
(Ykof) 		4 ASP A 100
ASP A  56
ASP A  36
GLY A  53
 None
 1.46A 2igtC-1s7hA:
undetectable		 2igtC-1s7hA:
19.23
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.
1v6m GALACTOSE-BINDING
LECTIN

(Arachis
hypogaea) 		PF00139
(Lectin_legB) 		4 ASP A 132
ASP A 136
ASP A 141
GLY A  84
 MN  A1238 ( 2.9A)
None
None
None
 1.40A 2igtC-1v6mA:
undetectable		 2igtC-1v6mA:
21.68
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.
1vb3 THREONINE SYNTHASE

(Escherichia
coli) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		4 ASP A 136
ASP A 252
ASP A 108
GLY A 375
 KPA  A 500 (-4.7A)
SO4  A 501 (-4.9A)
None
None
 1.39A 2igtC-1vb3A:
2.2		 2igtC-1vb3A:
20.94
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.
1wkr POLYPOROPEPSIN

(Irpex lacteus) 		PF00026
(Asp) 		4 ASP A  13
ASP A  32
ASP A  99
GLY A 103
 None
None
SO4  A 905 ( 4.4A)
None
 1.43A 2igtC-1wkrA:
undetectable		 2igtC-1wkrA:
18.77
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.
1xzw PURPLE ACID
PHOSPHATASE

(Ipomoea batatas) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		4 ASP A   8
ASP A 140
ASP A   6
GLY A 366
 None
 0.93A 2igtC-1xzwA:
undetectable		 2igtC-1xzwA:
20.32
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.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		4 ASP A 268
ASP A 265
ASP A 213
GLY A  33
 None
 1.41A 2igtC-1y7wA:
undetectable		 2igtC-1y7wA:
23.01
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.
1zbr CONSERVED
HYPOTHETICAL PROTEIN

(Porphyromonas
gingivalis) 		PF04371
(PAD_porph) 		4 ASP A  87
ASP A  82
ASP A 206
GLY A 326
 None
 1.48A 2igtC-1zbrA:
undetectable		 2igtC-1zbrA:
21.89
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.
2b81 LUCIFERASE-LIKE
MONOOXYGENASE

(Bacillus cereus) 		PF00296
(Bac_luciferase) 		4 ASP A 135
ASP A  62
ASP A  67
GLY A  76
 None
 1.19A 2igtC-2b81A:
undetectable		 2igtC-2b81A:
21.79
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.
2cdq ASPARTOKINASE

(Arabidopsis
thaliana) 		PF00696
(AA_kinase) 		4 ASP A 180
ASP A 141
ASP A 186
GLY A 217
 None
 1.19A 2igtC-2cdqA:
2.8		 2igtC-2cdqA:
22.79
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.
2e0p ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF12891
(Glyco_hydro_44) 		4 ASP A 394
ASP A 361
ASP A  35
GLY A 365
 None
None
ZN  A 700 ( 3.0A)
None
 1.33A 2igtC-2e0pA:
undetectable		 2igtC-2e0pA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e3z BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF00232
(Glyco_hydro_1) 		4 ASP A  26
ASP A  36
ASP A  28
GLY A  23
 None
 1.00A 2igtC-2e3zA:
undetectable		 2igtC-2e3zA:
22.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2igt SAM DEPENDENT
METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF10672
(Methyltrans_SAM) 		4 ASP A 161
ASP A 190
ASP A 211
GLY A 216
 SAM  A1001 (-2.9A)
SAM  A1001 (-3.7A)
SAM  A1001 (-2.8A)
SAM  A1001 (-3.5A)
 0.07A 2igtC-2igtA:
51.6		 2igtC-2igtA:
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.
2o04 PECTATE LYASE

(Bacillus
subtilis) 		PF00544
(Pec_lyase_C) 		4 ASP A 161
ASP A  63
ASP A 164
GLY A  74
 None
 1.37A 2igtC-2o04A:
undetectable		 2igtC-2o04A:
19.00
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.
2p35 TRANS-ACONITATE
2-METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF13489
(Methyltransf_23) 		4 ASP A  50
ASP A  36
ASP A  13
GLY A  42
 None
SAH  A 301 ( 4.4A)
None
None
 1.34A 2igtC-2p35A:
13.2		 2igtC-2p35A:
23.46
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.
2paj PUTATIVE
CYTOSINE/GUANINE
DEAMINASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 ASP A  44
ASP A  47
ASP A 413
GLY A 409
 None
 1.47A 2igtC-2pajA:
undetectable		 2igtC-2pajA:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qv6 GTP CYCLOHYDROLASE
III

(Methanocaldococcus
jannaschii) 		PF05165
(GCH_III) 		4 ASP A  10
ASP A  55
ASP A 113
GLY A  13
 None
 1.41A 2igtC-2qv6A:
undetectable		 2igtC-2qv6A:
19.71
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.
2uw1 PLASTID DELTA4
MULTIFUNCTIONAL
ACYL-ACYL CARRIER
PROTEIN DESATURASE

(Hedera helix) 		PF03405
(FA_desaturase_2) 		4 ASP B 353
ASP B 270
ASP B 156
GLY B 268
 None
 1.27A 2igtC-2uw1B:
undetectable		 2igtC-2uw1B:
21.29
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.
2wbi ACYL-COA
DEHYDROGENASE FAMILY
MEMBER 11

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ASP A 112
ASP A  70
ASP A 120
GLY A  64
 None
 1.23A 2igtC-2wbiA:
undetectable		 2igtC-2wbiA:
21.71
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.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		4 ASP A 164
ASP A 107
ASP A 167
GLY A 217
 None
 1.48A 2igtC-2wzsA:
undetectable		 2igtC-2wzsA:
18.42
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.
2xmr PROTEIN NDRG2

(Homo sapiens) 		PF03096
(Ndr) 		4 ASP A 158
ASP A 228
ASP A 255
GLY A 163
 None
 1.21A 2igtC-2xmrA:
2.0		 2igtC-2xmrA:
22.01
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.
2yhg CELLULOSE-BINDING
PROTEIN

(Saccharophagus
degradans) 		PF07632
(DUF1593) 		4 ASP A 685
ASP A 617
ASP A 532
GLY A 609
 None
EDO  A1942 (-2.9A)
CA  A1934 (-3.1A)
None
 1.25A 2igtC-2yhgA:
2.2		 2igtC-2yhgA:
22.69
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.
2yn3 PUTATIVE INNER
MEMBRANE PROTEIN

(Salmonella
enterica) 		PF12245
(Big_3_2) 		4 ASP A5296
ASP A5178
ASP A5229
GLY A5346
 CA  A6364 (-2.7A)
CA  A6363 (-2.9A)
None
None
 1.43A 2igtC-2yn3A:
undetectable		 2igtC-2yn3A:
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.
3ahy BETA-GLUCOSIDASE

(Trichoderma
reesei) 		PF00232
(Glyco_hydro_1) 		4 ASP A  22
ASP A  32
ASP A  24
GLY A  19
 None
 1.10A 2igtC-3ahyA:
undetectable		 2igtC-3ahyA:
23.42
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.
3btp SINGLE-STRAND
DNA-BINDING PROTEIN

(Agrobacterium
fabrum) 		PF07229
(VirE2) 		4 ASP A 262
ASP A 126
ASP A 281
GLY A 242
 None
 1.17A 2igtC-3btpA:
undetectable		 2igtC-3btpA:
20.46
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.
3c5y RIBOSE/GALACTOSE
ISOMERASE

(Novosphingobium
aromaticivorans) 		PF02502
(LacAB_rpiB)
PF12408
(DUF3666) 		4 ASP A 168
ASP A 163
ASP A 200
GLY A  87
 EDO  A 216 (-2.8A)
EDO  A 214 (-4.3A)
None
None
 1.45A 2igtC-3c5yA:
undetectable		 2igtC-3c5yA:
25.51
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.
3gip N-ACYL-D-GLUTAMATE
DEACYLASE

(Bordetella
bronchiseptica) 		PF07969
(Amidohydro_3) 		4 ASP A 365
ASP A  69
ASP A 280
GLY A  93
 ACY  A 481 ( 2.5A)
None
None
None
 1.31A 2igtC-3gipA:
undetectable		 2igtC-3gipA:
20.81
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.
3gt5 N-ACETYLGLUCOSAMINE
2-EPIMERASE

(Xylella
fastidiosa) 		PF07221
(GlcNAc_2-epim) 		4 ASP A 355
ASP A 374
ASP A 383
GLY A  48
 None
 1.45A 2igtC-3gt5A:
undetectable		 2igtC-3gt5A:
20.89
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.
3ibt 1H-3-HYDROXY-4-OXOQU
INOLINE
2,4-DIOXYGENASE

(Pseudomonas
putida) 		PF12697
(Abhydrolase_6) 		4 ASP A  59
ASP A  76
ASP A  64
GLY A   8
 None
 1.29A 2igtC-3ibtA:
2.7		 2igtC-3ibtA:
21.62
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.
3lcc PUTATIVE METHYL
CHLORIDE TRANSFERASE

(Arabidopsis
thaliana) 		PF05724
(TPMT) 		4 ASP A  80
ASP A 138
ASP A  48
GLY A  74
 None
None
None
SAH  A 300 (-3.5A)
 1.42A 2igtC-3lccA:
9.7		 2igtC-3lccA:
21.24
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.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		4 ASP A 271
ASP A 310
ASP A 266
GLY A 305
 None
 1.30A 2igtC-3lggA:
undetectable		 2igtC-3lggA:
22.53
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.
3m94 TRANSLATION
INITIATION FACTOR 4E

(Ascaris suum) 		PF01652
(IF4E) 		4 ASP A 174
ASP A 140
ASP A 103
GLY A  97
 None
None
M7M  A   1 ( 4.4A)
None
 1.12A 2igtC-3m94A:
undetectable		 2igtC-3m94A:
20.58
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.
3ml0 PENICILLIN G
ACYLASE, ALPHA
SUBUNIT
PENICILLIN G
ACYLASE, BETA
SUBUNIT

(Alcaligenes
faecalis;
Alcaligenes
faecalis) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		4 ASP A  68
ASP A  62
ASP B 113
GLY A  57
 None
 1.37A 2igtC-3ml0A:
undetectable		 2igtC-3ml0A:
21.99
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.
3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Paenibacillus
sp. Y412MC10) 		PF13378
(MR_MLE_C) 		4 ASP A 187
ASP A 207
ASP A 139
GLY A  34
 None
MG  A 501 ( 2.8A)
None
None
 1.28A 2igtC-3opsA:
2.1		 2igtC-3opsA:
23.13
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.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 4 ASP A 116
ASP A 141
ASP A 133
GLY A 156
 None
CA  A 405 ( 2.4A)
None
CA  A 406 (-4.0A)
 1.41A 2igtC-3p4gA:
undetectable		 2igtC-3p4gA:
22.66
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.
3prx COBRA VENOM FACTOR

(Naja kaouthia) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		4 ASP B1318
ASP B 931
ASP B1276
GLY B 936
 None
 1.36A 2igtC-3prxB:
undetectable		 2igtC-3prxB:
11.76
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.
3r9j SEPTUM
SITE-DETERMINING
PROTEIN MIND

(Escherichia
coli) 		PF01656
(CbiA) 		4 ASP A  47
ASP A  59
ASP A 120
GLY A  42
 None
 1.09A 2igtC-3r9jA:
2.1		 2igtC-3r9jA:
23.89
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.
3txo PROTEIN KINASE C ETA
TYPE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		4 ASP A 483
ASP A 497
ASP A 645
GLY A 364
 None
07U  A   1 (-3.6A)
None
None
 1.41A 2igtC-3txoA:
undetectable		 2igtC-3txoA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u27 MICROCOMPARTMENTS
PROTEIN

(Leptotrichia
buccalis) 		no annotation 4 ASP C 117
ASP C 119
ASP C 212
GLY C   3
 None
 1.20A 2igtC-3u27C:
undetectable		 2igtC-3u27C:
23.41
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.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		4 ASP A 243
ASP A 190
ASP A 458
GLY A 235
 None
 1.42A 2igtC-4av6A:
undetectable		 2igtC-4av6A:
19.65
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.
4b8s ADP-DEPENDENT
GLUCOKINASE

(Thermococcus
litoralis) 		PF04587
(ADP_PFK_GK) 		4 ASP A  42
ASP A 451
ASP A 211
GLY A 123
 GLC  A 468 (-2.7A)
GLC  A 468 (-2.9A)
None
None
 1.39A 2igtC-4b8sA:
3.8		 2igtC-4b8sA:
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.
4blf SINGLE-STRAND
DNA-BINDING PROTEIN

(Agrobacterium
tumefaciens) 		PF07229
(VirE2) 		4 ASP A 262
ASP A 126
ASP A 281
GLY A 242
 None
 1.17A 2igtC-4blfA:
undetectable		 2igtC-4blfA:
22.29
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.
4eip PUTATIVE
FAD-MONOOXYGENASE

(Lechevalieria
aerocolonigenes) 		PF01494
(FAD_binding_3) 		4 ASP A 172
ASP A  36
ASP A 296
GLY A  18
 None
FAD  A 602 (-2.7A)
FAD  A 602 (-3.3A)
None
 1.19A 2igtC-4eipA:
3.1		 2igtC-4eipA:
22.22
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.
4g0r CAPSID PROTEIN VP1

(Rodent
protoparvovirus
1) 		PF00740
(Parvo_coat) 		4 ASP A 405
ASP A 367
ASP A 375
GLY A 371
 EDO  A 602 (-4.8A)
NA  A 607 (-3.5A)
CL  A 608 (-4.1A)
None
 1.38A 2igtC-4g0rA:
undetectable		 2igtC-4g0rA:
17.95
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.
4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA

(Homo sapiens) 		PF00454
(PI3_PI4_kinase) 		4 ASP A 301
ASP A 200
ASP A 346
GLY A 195
 ASP  A 301 ( 0.6A)
ASP  A 200 ( 0.6A)
ASP  A 346 (-0.6A)
GLY  A 195 ( 0.0A)
 1.36A 2igtC-4hneA:
undetectable		 2igtC-4hneA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 ASP A 799
ASP A 762
ASP A 797
GLY A1414
 GOL  A1502 (-3.4A)
None
None
None
 1.44A 2igtC-4iglA:
undetectable		 2igtC-4iglA:
13.11
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.
4jat ALPHA-PYRONE
SYNTHESIS POLYKETIDE
SYNTHASE-LIKE PKS11

(Mycobacterium
tuberculosis) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 ASP A 157
ASP A 200
ASP A  99
GLY A 154
 None
 1.48A 2igtC-4jatA:
undetectable		 2igtC-4jatA:
23.68
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.
4jhm MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME, C-TERMINAL
DOMAIN PROTEIN

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 173
ASP A 194
ASP A  26
GLY A 197
 None
 1.43A 2igtC-4jhmA:
undetectable		 2igtC-4jhmA:
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.
4qnl TAIL FIBER PROTEIN

(Escherichia
virus G7C) 		no annotation 4 ASP A 358
ASP A 297
ASP A 217
GLY A 351
 None
 1.22A 2igtC-4qnlA:
4.1		 2igtC-4qnlA:
18.20
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.
4r9i SERPIN-18

(Bombyx mori) 		PF00079
(Serpin) 		4 ASP A 329
ASP A 326
ASP A 333
GLY A 337
 None
 1.41A 2igtC-4r9iA:
undetectable		 2igtC-4r9iA:
21.75
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.
4u9p UPF0264 PROTEIN
MJ1099

(Methanocaldococcus
jannaschii) 		PF04476
(4HFCP_synth) 		4 ASP A 124
ASP A 162
ASP A 151
GLY A 157
 None
 1.05A 2igtC-4u9pA:
undetectable		 2igtC-4u9pA:
23.68
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.
4uzs BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 ASP A 387
ASP A 343
ASP A 394
GLY A 683
 None
 1.43A 2igtC-4uzsA:
undetectable		 2igtC-4uzsA:
20.06
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.
4ylq COAGULATION FACTOR
VII

(Homo sapiens) 		PF00089
(Trypsin) 		4 ASP H 189
ASP H 186
ASP H 146
GLY H 223
 0Z7  H 501 (-2.3A)
None
None
POL  H 509 ( 4.0A)
 1.36A 2igtC-4ylqH:
undetectable		 2igtC-4ylqH:
21.87
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.
5dze ENDO-GLUCANASE

(Vitis vinifera) 		PF00722
(Glyco_hydro_16) 		4 ASP A  88
ASP A  91
ASP A  84
GLY A 112
 None
GLC  A 301 ( 2.8A)
None
None
 1.42A 2igtC-5dzeA:
undetectable		 2igtC-5dzeA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f7u CYCLOALTERNAN-FORMIN
G ENZYME

(Listeria
monocytogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF16990
(CBM_35) 		4 ASP A 514
ASP A 536
ASP A 574
GLY A 580
 None
 1.16A 2igtC-5f7uA:
undetectable		 2igtC-5f7uA:
14.31
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.
5f9o CLADE A/E 93TH057
HIV-1 GP120 CORE
CH235.9 HEAVY CHAIN

(Human
immunodeficiency
virus 1;
Homo sapiens) 		PF00516
(GP120)
PF07654
(C1-set)
PF07686
(V-set) 		4 ASP H  52
ASP G 368
ASP H  31
GLY G 473
 None
 1.47A 2igtC-5f9oH:
undetectable		 2igtC-5f9oH:
19.41
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.
5gs0 TOLL-LIKE RECEPTOR 3
LIGHT CHAIN
(ANTI-TLR3)

(Homo sapiens;
Mus musculus) 		PF13516
(LRR_6)
PF13855
(LRR_8)
PF07686
(V-set) 		4 ASP A 116
ASP C  50
ASP C  91
GLY C  28
 None
 1.47A 2igtC-5gs0A:
undetectable		 2igtC-5gs0A:
17.73
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.
5h8y SULFITE REDUCTASE
[FERREDOXIN],
CHLOROPLASTIC

(Zea mays) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 ASP A 334
ASP A 295
ASP A 374
GLY A 318
 None
None
None
SRM  A 702 (-3.7A)
 1.37A 2igtC-5h8yA:
undetectable		 2igtC-5h8yA:
20.68
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.
5m2n ELONGATOR COMPLEX
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 ASP A 387
ASP A 777
ASP A 406
GLY A  35
 None
 1.46A 2igtC-5m2nA:
undetectable		 2igtC-5m2nA:
17.87
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.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 4 ASP A 506
ASP A 501
ASP A 144
GLY A 141
 None
None
TRS  A 701 (-2.8A)
None
 1.33A 2igtC-5n6vA:
undetectable		 2igtC-5n6vA:
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.
5n7f MEMBRANE-ASSOCIATED
GUANYLATE KINASE, WW
AND PDZ
DOMAIN-CONTAINING
PROTEIN 1,ANNEXIN A2

(Homo sapiens) 		no annotation 4 ASP A 790
ASP A 701
ASP A 665
GLY A 661
 None
 1.25A 2igtC-5n7fA:
undetectable		 2igtC-5n7fA:
23.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o2x GLYCOSIDE HYDROLASE
FAMILY 61

(Trichoderma
reesei) 		PF03443
(Glyco_hydro_61) 		4 ASP A  18
ASP A  38
ASP A   6
GLY A   2
 None
None
None
HIC  A   1 ( 2.4A)
 1.12A 2igtC-5o2xA:
undetectable		 2igtC-5o2xA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oik TRANSCRIPTION
ELONGATION FACTOR
SPT4

(Homo sapiens) 		PF06093
(Spt4) 		4 ASP Y  31
ASP Y  37
ASP Y  26
GLY Y  44
 None
 1.22A 2igtC-5oikY:
undetectable		 2igtC-5oikY:
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.
5u99 ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF01634
(HisG)
PF08029
(HisG_C) 		4 ASP A  70
ASP A 154
ASP A 176
GLY A 157
 ATP  A 306 (-2.8A)
SO4  A 303 (-3.1A)
None
SO4  A 301 (-3.6A)
 1.50A 2igtC-5u99A:
undetectable		 2igtC-5u99A:
22.73
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.
5ufm METHYLTRANSFERASE
DOMAIN PROTEIN

(Burkholderia
thailandensis) 		no annotation 4 ASP A  95
ASP A  72
ASP A  45
GLY A 136
 SAH  A 301 (-2.7A)
None
None
AZ8  A 302 ( 3.5A)
 1.39A 2igtC-5ufmA:
13.9		 2igtC-5ufmA:
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.
5vhi 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 2

(Homo sapiens) 		PF00004
(AAA) 		4 ASP f 636
ASP f 630
ASP f 638
GLY f 602
 None
 1.35A 2igtC-5vhif:
undetectable		 2igtC-5vhif:
18.42
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.
5xeq NEUROLIGIN-2

(Homo sapiens) 		PF00135
(COesterase) 		4 ASP A 502
ASP A 497
ASP A 125
GLY A 387
 None
 1.38A 2igtC-5xeqA:
undetectable		 2igtC-5xeqA:
20.35
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.
6cza -

(-) 		no annotation 4 ASP A 126
ASP A 128
ASP A 495
GLY A 818
 None
 1.41A 2igtC-6czaA:
3.7		 2igtC-6czaA:
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.
6d4j PROTEIN PATCHED
HOMOLOG 1

(Homo sapiens) 		no annotation 4 ASP A 850
ASP A 930
ASP A 857
GLY A 290
 None
 1.16A 2igtC-6d4jA:
undetectable		 2igtC-6d4jA:
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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 4 ASP A 315
ASP A 276
ASP A 285
GLY A 274
 CA  A 904 (-2.1A)
G39  A 908 (-3.3A)
None
None
 1.32A 2igtC-6eksA:
undetectable		 2igtC-6eksA:
20.32
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.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 4 ASP A 210
ASP A 216
ASP A 160
GLY A 155
 None
 1.13A 2igtC-6fhvA:
undetectable		 2igtC-6fhvA:
undetectable