SIMILAR PATTERNS OF AMINO ACIDS FOR 1K6C_B_MK1B902

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.
1ecg GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE

(Escherichia
coli) 		PF00156
(Pribosyltran)
PF13522
(GATase_6) 		5 LEU A 253
ALA A 274
ILE A 308
GLY A 279
PRO A 397
 None
 1.04A 1k6cA-1ecgA:
undetectable		 1k6cA-1ecgA:
12.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
VAL A  32
GLY A  49
PRO A  81
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
 0.99A 1k6cA-1hvcA:
14.5		 1k6cA-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ALA A  28
VAL A  32
GLY A  48
PRO A  81
 A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
 1.07A 1k6cA-1hvcA:
14.5		 1k6cA-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  48
GLY A  49
PRO A  81
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.6A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
 0.36A 1k6cA-1hvcA:
14.5		 1k6cA-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  48
GLY A  49
PRO A  81
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.1A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
 0.43A 1k6cA-1hvcA:
14.5		 1k6cA-1hvcA:
46.80
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.
1ldi GLYCEROL UPTAKE
FACILITATOR PROTEIN

(Escherichia
coli) 		PF00230
(MIP) 		5 LEU A 216
ALA A 102
ILE A  22
GLY A  19
GLY A  96
 BOG  A 473 (-4.3A)
BOG  A 473 ( 4.1A)
None
None
None
 1.09A 1k6cA-1ldiA:
undetectable		 1k6cA-1ldiA:
15.69
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.
1qpg 3-PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 LEU A 400
ALA A 207
ILE A 233
GLY A 234
GLY A 210
 None
 1.03A 1k6cA-1qpgA:
undetectable		 1k6cA-1qpgA:
13.90
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.
1qxp MU-LIKE CALPAIN

(Bos taurus;
Rattus
norvegicus) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		5 LEU A 181
ALA A 203
ILE A 340
GLY A 210
GLY A 209
 None
 1.05A 1k6cA-1qxpA:
undetectable		 1k6cA-1qxpA:
7.89
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.
1sez PROTOPORPHYRINOGEN
OXIDASE,
MITOCHONDRIAL

(Nicotiana
tabacum) 		PF01593
(Amino_oxidase) 		5 LEU A 473
ALA A 438
GLY A 394
GLY A 395
THR A 176
 None
FAD  A 600 (-3.7A)
None
None
None
 0.98A 1k6cA-1sezA:
undetectable		 1k6cA-1sezA:
12.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  48
GLY A  49
PRO A  81
 None
 0.47A 1k6cA-1sivA:
18.4		 1k6cA-1sivA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
GLY A  49
PRO A  81
 None
 1.04A 1k6cA-1sivA:
18.4		 1k6cA-1sivA:
49.49
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.
1sxj ACTIVATOR 1 37 KDA
SUBUNIT
ACTIVATOR 1 95 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF08519
(RFC1)
PF08542
(Rep_fac_C) 		5 ARG B 285
LEU B 286
ALA A 653
GLY A 658
GLY A 561
 None
 1.09A 1k6cA-1sxjB:
undetectable		 1k6cA-1sxjB:
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.
1tdj BIOSYNTHETIC
THREONINE DEAMINASE

(Escherichia
coli) 		PF00291
(PALP)
PF00585
(Thr_dehydrat_C) 		5 LEU A 254
ALA A 194
GLY A 188
GLY A 189
PRO A 229
 None
None
PLP  A 962 (-3.7A)
PLP  A 962 (-3.2A)
None
 0.97A 1k6cA-1tdjA:
undetectable		 1k6cA-1tdjA:
11.53
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.
1vq0 33 KDA CHAPERONIN

(Thermotoga
maritima) 		PF01430
(HSP33) 		5 LEU A  94
ASP A 103
VAL A  39
ILE A 136
GLY A 134
 None
 1.09A 1k6cA-1vq0A:
undetectable		 1k6cA-1vq0A:
16.22
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.
1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE

(Arthrobacter
sp. KM) 		PF00480
(ROK) 		5 ALA A 256
VAL A  78
ILE A  17
GLY A  26
GLY A  27
 None
 1.09A 1k6cA-1woqA:
undetectable		 1k6cA-1woqA:
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.
1xat XENOBIOTIC
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep) 		5 ALA A 151
VAL A 131
ILE A 137
GLY A 138
GLY A 154
 None
 1.06A 1k6cA-1xatA:
undetectable		 1k6cA-1xatA:
20.41
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.
1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE

(Escherichia
coli) 		PF04962
(KduI) 		5 LEU A  67
VAL A  59
ILE A  50
GLY A  49
GLY A  48
 None
 1.08A 1k6cA-1xruA:
undetectable		 1k6cA-1xruA:
15.24
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 LEU A 669
ALA A 770
VAL A 795
GLY A 775
PRO A 787
 None
 0.99A 1k6cA-2b3xA:
undetectable		 1k6cA-2b3xA:
7.17
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.
2bi7 UDP-GALACTOPYRANOSE
MUTASE

(Klebsiella
pneumoniae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 LEU A   7
VAL A 213
ILE A  38
GLY A  39
GLY A  12
 None
None
None
None
FAD  A1385 (-3.4A)
 1.03A 1k6cA-2bi7A:
undetectable		 1k6cA-2bi7A:
12.66
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.
2bkw ALANINE-GLYOXYLATE
AMINOTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF00266
(Aminotran_5) 		6 LEU A 297
VAL A 306
ILE A 348
GLY A 349
GLY A 343
THR A 319
 None
 1.08A 1k6cA-2bkwA:
undetectable		 1k6cA-2bkwA:
14.56
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.
2cy8 D-PHENYLGLYCINE
AMINOTRANSFERASE

(Pseudomonas
stutzeri) 		PF00202
(Aminotran_3) 		5 LEU A  98
ALA A 314
ILE A 279
GLY A 278
GLY A 277
 None
 1.02A 1k6cA-2cy8A:
undetectable		 1k6cA-2cy8A:
15.19
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.
2cyb TYROSYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF00579
(tRNA-synt_1b) 		5 LEU A  23
ALA A  14
ILE A 178
GLY A 177
GLY A 176
 None
 0.92A 1k6cA-2cybA:
undetectable		 1k6cA-2cybA:
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.
2e7z ACETYLENE HYDRATASE
AHY

(Pelobacter
acetylenicus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 LEU A 224
ASP A 221
GLY A 722
GLY A 721
THR A 269
 None
MGD  A 802 (-2.7A)
None
None
None
 1.09A 1k6cA-2e7zA:
undetectable		 1k6cA-2e7zA:
9.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eb0 MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Methanocaldococcus
jannaschii) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 VAL A 149
ILE A 256
GLY A 260
PRO A 154
THR A 155
 None
 1.09A 1k6cA-2eb0A:
undetectable		 1k6cA-2eb0A:
14.57
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.
2eq9 PYRUVATE
DEHYDROGENASE
COMPLEX,
DIHYDROLIPOAMIDE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 322
GLY A  44
GLY A  45
PRO A  54
THR A  55
 FAD  A8482 (-3.4A)
None
FAD  A8482 (-3.0A)
None
FAD  A8482 (-4.3A)
 1.10A 1k6cA-2eq9A:
undetectable		 1k6cA-2eq9A:
10.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  53
GLY A  54
PRO A  86
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.9A)
 0.64A 1k6cA-2fmbA:
15.2		 1k6cA-2fmbA:
31.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  53
GLY A  54
GLY A  55
PRO A  86
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.46A 1k6cA-2fmbA:
15.2		 1k6cA-2fmbA:
31.73
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ARG A 208
LEU A 230
VAL A  27
ILE A  35
GLY A  34
GLY A  33
 None
None
NAP  A 523 ( 4.0A)
NAP  A 523 (-3.8A)
None
None
 1.18A 1k6cA-2h2qA:
undetectable		 1k6cA-2h2qA:
10.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nwh CARBOHYDRATE KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 LEU A 150
ALA A 163
ILE A 166
GLY A  39
GLY A  40
 None
None
CL  A 403 ( 4.3A)
CL  A 403 (-4.2A)
None
 1.02A 1k6cA-2nwhA:
undetectable		 1k6cA-2nwhA:
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.
2r6h NADH:UBIQUINONE
OXIDOREDUCTASE, NA
TRANSLOCATING, F
SUBUNIT

(Porphyromonas
gingivalis) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 VAL A 392
ILE A 284
GLY A 285
GLY A 286
PRO A 387
 None
 1.06A 1k6cA-2r6hA:
undetectable		 1k6cA-2r6hA:
17.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  48
GLY A  49
PRO A  81
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
 0.62A 1k6cA-2rkfA:
20.9		 1k6cA-2rkfA:
82.83
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.
2vow SURFACE-ASSOCIATED
PROTEIN

(Methylococcus
capsulatus) 		no annotation 5 ALA A 163
VAL A 329
ILE A  98
GLY A  99
GLY A 326
 None
 1.07A 1k6cA-2vowA:
undetectable		 1k6cA-2vowA:
13.51
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.
2whd THIOREDOXIN
REDUCTASE

(Hordeum vulgare) 		PF07992
(Pyr_redox_2) 		5 LEU A   9
VAL A 106
ILE A  16
GLY A  17
THR A 111
 None
None
FAD  A 400 (-4.9A)
FAD  A 400 (-3.3A)
None
 1.02A 1k6cA-2whdA:
undetectable		 1k6cA-2whdA:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xu2 UPF0271 PROTEIN
PA4511

(Pseudomonas
aeruginosa) 		PF03746
(LamB_YcsF) 		5 ASP A  27
VAL A  55
ILE A  65
GLY A  66
THR A  50
 None
 0.92A 1k6cA-2xu2A:
undetectable		 1k6cA-2xu2A:
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.
3a1i AMIDASE

(Rhodococcus sp.
N-771) 		PF01425
(Amidase) 		5 VAL A 124
ILE A 188
GLY A 189
GLY A 190
THR A 218
 None
 0.98A 1k6cA-3a1iA:
undetectable		 1k6cA-3a1iA:
12.64
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.
3a24 ALPHA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 ASP A 480
VAL A 486
ILE A 596
GLY A 655
GLY A 654
 None
 1.09A 1k6cA-3a24A:
undetectable		 1k6cA-3a24A:
9.45
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.
3c8v PUTATIVE
ACETYLTRANSFERASE

(Desulfovibrio
alaskensis) 		no annotation 5 ALA A 290
ILE A 275
GLY A 276
GLY A 293
THR A 315
 None
 1.00A 1k6cA-3c8vA:
undetectable		 1k6cA-3c8vA:
10.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cdd PROPHAGE MUSO2, 43
KDA TAIL PROTEIN

(Shewanella
oneidensis) 		PF05954
(Phage_GPD) 		5 VAL A  70
ILE A  65
GLY A  66
GLY A  67
THR A  72
 None
 0.97A 1k6cA-3cddA:
undetectable		 1k6cA-3cddA:
12.60
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.
3dfu UNCHARACTERIZED
PROTEIN FROM
6-PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
FAMILY

(Corynebacterium
glutamicum) 		PF10727
(Rossmann-like) 		5 LEU A  60
VAL A  92
ILE A  79
GLY A  78
PRO A  84
 None
 1.01A 1k6cA-3dfuA:
undetectable		 1k6cA-3dfuA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g1n E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		PF00632
(HECT) 		5 LEU A4262
ILE A4320
GLY A4319
GLY A4316
THR A4266
 None
None
None
NA  A5001 ( 4.9A)
None
 0.94A 1k6cA-3g1nA:
undetectable		 1k6cA-3g1nA:
13.77
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.
3g79 NDP-N-ACETYL-D-GALAC
TOSAMINURONIC ACID
DEHYDROGENASE

(Methanosarcina
mazei) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 ARG A  98
LEU A  47
ALA A  38
ILE A  81
GLY A  82
 None
 1.03A 1k6cA-3g79A:
undetectable		 1k6cA-3g79A:
10.74
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.
3hdy UDP-GALACTOPYRANOSE
MUTASE

(Deinococcus
radiodurans) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 LEU A  33
VAL A 237
ILE A  64
GLY A  65
GLY A  38
 None
None
None
None
FAD  A 450 (-3.3A)
 1.05A 1k6cA-3hdyA:
undetectable		 1k6cA-3hdyA:
13.10
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus) 		PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S) 		5 ALA 1 423
VAL 1 338
ILE 1 374
GLY 1 379
GLY 1 377
 None
 1.05A 1k6cA-3i9v1:
undetectable		 1k6cA-3i9v1:
14.15
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.
3k1z HALOACID
DEHALOGENASE-LIKE
HYDROLASE
DOMAIN-CONTAINING
PROTEIN 3

(Homo sapiens) 		PF13419
(HAD_2) 		5 ARG A 125
LEU A 131
VAL A 157
GLY A 143
GLY A 146
 None
 1.10A 1k6cA-3k1zA:
undetectable		 1k6cA-3k1zA:
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.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 ALA A4098
VAL A4042
ILE A3991
GLY A3992
GLY A3993
 None
 0.92A 1k6cA-3kciA:
undetectable		 1k6cA-3kciA:
12.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ll5 GAMMA-GLUTAMYL
KINASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF00696
(AA_kinase) 		5 ARG A  18
VAL A  84
ILE A   6
GLY A   7
GLY A   8
 None
None
None
ADP  A 246 (-3.2A)
IPE  A 247 ( 3.5A)
 1.02A 1k6cA-3ll5A:
undetectable		 1k6cA-3ll5A:
18.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  48
GLY A  49
PRO A  81
 None
 0.47A 1k6cA-3mwsA:
19.5		 1k6cA-3mwsA:
74.75
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.
3njr PRECORRIN-6Y
METHYLASE

(Rhodobacter
capsulatus) 		no annotation 5 ARG A  86
VAL A 105
ILE A 107
GLY A 109
GLY A  42
 None
None
None
SAH  A 300 ( 3.8A)
SAH  A 300 (-3.1A)
 1.10A 1k6cA-3njrA:
undetectable		 1k6cA-3njrA:
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.
3nu1 HEMIN-BINDING
PERIPLASMIC PROTEIN

(Yersinia pestis) 		PF01497
(Peripla_BP_2) 		5 ILE A 185
GLY A 190
GLY A 189
PRO A 118
THR A 117
 None
 1.00A 1k6cA-3nu1A:
undetectable		 1k6cA-3nu1A:
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.
3rmu METHYLMALONYL-COA
EPIMERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF13669
(Glyoxalase_4) 		5 ALA A  61
ILE A  53
GLY A 119
GLY A 118
PRO A 101
 None
 1.04A 1k6cA-3rmuA:
undetectable		 1k6cA-3rmuA:
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.
3rp7 FLAVOPROTEIN
MONOOXYGENASE

(Klebsiella
pneumoniae) 		PF01494
(FAD_binding_3) 		5 LEU A 275
ALA A 286
ILE A   6
GLY A   7
GLY A  12
 None
None
FAD  A 385 (-4.4A)
FAD  A 385 (-3.4A)
None
 1.09A 1k6cA-3rp7A:
undetectable		 1k6cA-3rp7A:
12.12
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.
3s47 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Clostridium
beijerinckii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  98
ILE A 367
GLY A 366
GLY A 104
THR A 290
 None
 1.10A 1k6cA-3s47A:
undetectable		 1k6cA-3s47A:
13.85
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
ALA A  35
VAL A  39
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.60A 1k6cA-3slzA:
11.4		 1k6cA-3slzA:
26.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
ALA A  35
VAL A  39
PRO A  89
 None
3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-4.0A)
 0.69A 1k6cA-3slzA:
11.4		 1k6cA-3slzA:
26.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
None
 0.91A 1k6cA-3t3cA:
18.8		 1k6cA-3t3cA:
77.78
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.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 ARG A 266
VAL A 450
ILE A  55
GLY A  83
GLY A  82
 None
 0.97A 1k6cA-3t3oA:
undetectable		 1k6cA-3t3oA:
12.41
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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		5 VAL A 976
ILE A 839
GLY A 840
GLY A 769
THR A 905
 None
 1.02A 1k6cA-3tlmA:
undetectable		 1k6cA-3tlmA:
6.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  48
GLY A  49
PRO A  81
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
None
017  A 201 (-3.0A)
017  A 201 (-4.1A)
 0.44A 1k6cA-3ttpA:
19.4		 1k6cA-3ttpA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  48
GLY A  49
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 202 (-3.6A)
017  A 202 ( 4.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.52A 1k6cA-3u7sA:
19.9		 1k6cA-3u7sA:
80.81
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.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2

(Escherichia
coli) 		PF00294
(PfkB) 		5 LEU A 264
ALA A  47
VAL A 259
GLY A  40
GLY A  41
 None
 1.05A 1k6cA-3uqeA:
undetectable		 1k6cA-3uqeA:
16.08
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.
3zid TUBULIN/FTSZ, GTPASE

(Methanothrix
thermoacetophila) 		PF00091
(Tubulin) 		5 LEU A 202
ALA A  19
VAL A 197
GLY A  13
GLY A   8
 None
 1.00A 1k6cA-3zidA:
undetectable		 1k6cA-3zidA:
14.84
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.
4atq 4-AMINOBUTYRATE
TRANSAMINASE

(Paenarthrobacter
aurescens) 		PF00202
(Aminotran_3) 		5 ALA A 228
VAL A 155
ILE A 222
GLY A 223
GLY A 224
 None
 0.91A 1k6cA-4atqA:
undetectable		 1k6cA-4atqA:
12.44
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.
4ccd GALACTOCEREBROSIDASE

(Mus musculus) 		PF02057
(Glyco_hydro_59)
PF17387
(Glyco_hydro_59M) 		5 LEU A 154
ILE A  86
GLY A  87
GLY A  88
PRO A 148
 None
 1.06A 1k6cA-4ccdA:
undetectable		 1k6cA-4ccdA:
9.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ccd GALACTOCEREBROSIDASE

(Mus musculus) 		PF02057
(Glyco_hydro_59)
PF17387
(Glyco_hydro_59M) 		5 LEU A 154
VAL A 159
ILE A  86
GLY A  87
GLY A  88
 None
 0.78A 1k6cA-4ccdA:
undetectable		 1k6cA-4ccdA:
9.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dg5 PHOSPHOGLYCERATE
KINASE

(Staphylococcus
aureus) 		PF00162
(PGK) 		5 LEU A 382
ALA A 196
ILE A 222
GLY A 223
GLY A 199
 None
 1.09A 1k6cA-4dg5A:
undetectable		 1k6cA-4dg5A:
15.51
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.
4fus RTX TOXINS AND
RELATED CA2+-BINDING
PROTEIN

(Hahella
chejuensis) 		PF02011
(Glyco_hydro_48) 		5 VAL A 218
ILE A 610
GLY A 602
GLY A 230
PRO A 221
 None
 0.93A 1k6cA-4fusA:
undetectable		 1k6cA-4fusA:
8.53
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.
4if2 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN

(Mycobacterium
tuberculosis) 		PF02126
(PTE) 		5 LEU A 144
VAL A  93
ILE A 139
GLY A 138
GLY A 133
 KCX  A 145 ( 4.1A)
None
None
None
None
 0.84A 1k6cA-4if2A:
undetectable		 1k6cA-4if2A:
16.56
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.
4kjd INTESTINAL-TYPE
ALKALINE PHOSPHATASE
1

(Rattus
norvegicus) 		PF00245
(Alk_phosphatase) 		5 ASP A 316
GLY A 434
GLY A 433
PRO A  47
THR A  48
 None
 0.69A 1k6cA-4kjdA:
undetectable		 1k6cA-4kjdA:
12.59
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.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		5 ALA A 717
VAL A 669
ILE A 685
GLY A 683
PRO A 672
 None
 1.09A 1k6cA-4lglA:
undetectable		 1k6cA-4lglA:
6.79
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.
4mo2 UDP-GALACTOPYRANOSE
MUTASE

(Campylobacter
jejuni) 		no annotation 5 LEU B   5
VAL B 206
ILE B  36
GLY B  37
GLY B  10
 None
None
None
None
FDA  B 402 (-3.5A)
 0.99A 1k6cA-4mo2B:
undetectable		 1k6cA-4mo2B:
12.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
VAL A  32
GLY A  48
PRO A  81
THR A  82
 RIT  A 500 (-3.6A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.83A 1k6cA-4njvA:
20.7		 1k6cA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  25
ALA A  28
THR A  82
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.5A)
 0.71A 1k6cA-4njvA:
20.7		 1k6cA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  48
GLY A  49
PRO A  81
THR A  82
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.45A 1k6cA-4njvA:
20.7		 1k6cA-4njvA:
86.87
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.
4oe5 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		5 ARG A 140
LEU A 144
ALA A 241
GLY A 216
GLY A 217
 None
 0.95A 1k6cA-4oe5A:
undetectable		 1k6cA-4oe5A:
11.44
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.
4q73 PROLINE
DEHYDROGENASE

(Bradyrhizobium
diazoefficiens) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 ARG A 244
ALA A 869
ILE A 889
GLY A 887
GLY A 789
 None
 1.04A 1k6cA-4q73A:
undetectable		 1k6cA-4q73A:
7.58
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.
4q88 UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF07470
(Glyco_hydro_88) 		5 LEU A  31
ALA A 365
VAL A  37
ILE A 358
GLY A  61
 None
 1.05A 1k6cA-4q88A:
undetectable		 1k6cA-4q88A:
15.34
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.
4xr9 CALS8

(Micromonospora
echinospora) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 ALA A 400
VAL A 355
ILE A 367
GLY A 336
PRO A 350
 None
 1.03A 1k6cA-4xr9A:
undetectable		 1k6cA-4xr9A:
13.83
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.
4xwl EXOGLUCANASE S

(Clostridium
cellulovorans) 		PF02011
(Glyco_hydro_48) 		5 VAL A 185
ILE A 571
GLY A 563
GLY A 197
PRO A 188
 None
 0.84A 1k6cA-4xwlA:
undetectable		 1k6cA-4xwlA:
9.86
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.
4xyi KINETOCHORE PROTEIN
MIS16

(Schizosaccharomyces
japonicus) 		PF00400
(WD40)
PF12265
(CAF1C_H4-bd) 		5 ASP A 344
VAL A 382
GLY A 377
GLY A 376
THR A 340
 None
 1.10A 1k6cA-4xyiA:
undetectable		 1k6cA-4xyiA:
14.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 ARG A  10
LEU A  30
ASP A  32
ALA A  35
VAL A  39
GLY A  58
 None
None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
 0.82A 1k6cA-4ydfA:
13.3		 1k6cA-4ydfA:
30.77
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.
4zpx ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF13654
(AAA_32) 		6 LEU A 250
ALA A 294
VAL A 301
ILE A  66
GLY A  67
THR A 249
 None
 1.43A 1k6cA-4zpxA:
undetectable		 1k6cA-4zpxA:
14.10
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.
4zzq CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Dictyostelium
discoideum) 		PF00840
(Glyco_hydro_7) 		5 ASP A 172
ALA A 173
ILE A 254
GLY A 253
GLY A 243
 None
 1.06A 1k6cA-4zzqA:
undetectable		 1k6cA-4zzqA:
13.44
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.
5dm6 50S RIBOSOMAL
PROTEIN L1

(Deinococcus
radiodurans) 		PF00687
(Ribosomal_L1) 		5 ALA 0  82
VAL 0 110
GLY 0 147
PRO 0 113
THR 0 112
 None
 0.94A 1k6cA-5dm60:
undetectable		 1k6cA-5dm60:
18.30
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.
5ho9 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 ALA A 354
VAL A 321
ILE A 260
GLY A 259
GLY A 298
 None
 1.05A 1k6cA-5ho9A:
undetectable		 1k6cA-5ho9A:
10.27
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.
5ijz NADP-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ARG A  96
VAL A 376
ILE A 124
GLY A 125
GLY A 126
 NAP  A 501 (-4.0A)
AKG  A 502 (-4.1A)
None
None
None
 0.84A 1k6cA-5ijzA:
undetectable		 1k6cA-5ijzA:
14.55
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.
5jxx ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Moraxella
catarrhalis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 LEU A 112
ALA A  61
ILE A  45
GLY A  46
GLY A  64
 None
 1.01A 1k6cA-5jxxA:
undetectable		 1k6cA-5jxxA:
15.83
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.
5jyd SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 LEU A  67
VAL A  96
ILE A  98
GLY A  77
GLY A  82
 None
 1.03A 1k6cA-5jydA:
undetectable		 1k6cA-5jydA:
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.
5m45 ACETONE CARBOXYLASE
BETA SUBUNIT

(Xanthobacter
autotrophicus) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 ALA B 318
VAL B 343
ILE B 287
GLY B 288
GLY B 289
 None
 1.05A 1k6cA-5m45B:
undetectable		 1k6cA-5m45B:
9.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m45 ACETONE CARBOXYLASE
BETA SUBUNIT

(Xanthobacter
autotrophicus) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 LEU B 319
VAL B 343
ILE B 287
GLY B 288
GLY B 289
 None
 0.94A 1k6cA-5m45B:
undetectable		 1k6cA-5m45B:
9.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mac RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE-OXYGENAS
E TYPE III

(Methanococcoides
burtonii) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 LEU A 407
ALA A 440
VAL A 427
GLY A 187
GLY A 188
 None
 0.99A 1k6cA-5macA:
undetectable		 1k6cA-5macA:
13.56
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.
5mpm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 2

(Sus scrofa) 		no annotation 5 VAL A 976
ILE A 839
GLY A 840
GLY A 769
THR A 905
 None
 1.07A 1k6cA-5mpmA:
undetectable		 1k6cA-5mpmA:
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.
5ot0 L-ASPARAGINASE

(Thermococcus
kodakarensis) 		no annotation 5 LEU A   4
ALA A  27
ILE A  12
GLY A  10
GLY A   9
 None
None
None
PO4  A 401 (-3.5A)
None
 0.99A 1k6cA-5ot0A:
undetectable		 1k6cA-5ot0A:
14.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
PRO A  81
 None
 0.75A 1k6cA-5t2zA:
20.0		 1k6cA-5t2zA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 None
 0.48A 1k6cA-5t2zA:
20.0		 1k6cA-5t2zA:
78.79
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.
5w70 L-GLUTAMINE:2-DEOXY-
SCYLLO-INOSOSE
AMINOTRANSFERASE

(Streptomyces
ribosidificus) 		PF01041
(DegT_DnrJ_EryC1) 		5 ASP A 173
ALA A 175
GLY A 209
GLY A 210
THR A 108
 9YM  A 501 (-2.9A)
9YM  A 501 (-3.4A)
None
None
None
 1.01A 1k6cA-5w70A:
undetectable		 1k6cA-5w70A:
12.60
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.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 5 LEU A 209
VAL A 104
GLY A 116
GLY A 117
THR A 199
 None
 0.98A 1k6cA-6c62A:
undetectable		 1k6cA-6c62A:
27.00
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.
6dbr -

(-) 		no annotation 5 ARG B 159
VAL B 208
ILE B 273
GLY B 275
GLY B 276
 None
 1.06A 1k6cA-6dbrB:
undetectable		 1k6cA-6dbrB:
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 5 ARG A1221
LEU A1198
ALA A1184
GLY A1177
GLY A1178
 None
 0.93A 1k6cA-6fn1A:
undetectable		 1k6cA-6fn1A:
20.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  48
GLY A  49
 None
None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
 0.68A 1k6cA-6upjA:
18.0		 1k6cA-6upjA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
GLY A  48
GLY A  49
PRO A  81
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
 0.65A 1k6cA-6upjA:
18.0		 1k6cA-6upjA:
48.48
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.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		5 ARG A 464
VAL A 389
GLY A 404
ILE A 403
VAL A 408
 None
 0.98A 1k6cB-1cu1A:
undetectable		 1k6cB-1cu1A:
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.
1hci ALPHA-ACTININ 2

(Homo sapiens) 		PF00435
(Spectrin) 		5 GLY A 534
ALA A 535
ASP A 538
VAL A 618
VAL A 614
 None
 0.90A 1k6cB-1hciA:
undetectable		 1k6cB-1hciA:
13.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
 0.98A 1k6cB-1hvcA:
14.2		 1k6cB-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.59A 1k6cB-1hvcA:
14.2		 1k6cB-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.47A 1k6cB-1hvcA:
14.2		 1k6cB-1hvcA:
46.80
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.
1j2b ARCHAEOSINE
TRNA-GUANINE
TRANSGLYCOSYLASE

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF01702
(TGT)
PF14809
(TGT_C1)
PF14810
(TGT_C2) 		5 ASP A 535
GLY A 537
ASP A 542
GLY A 449
PRO A 504
 None
 0.87A 1k6cB-1j2bA:
undetectable		 1k6cB-1j2bA:
10.66
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.
1knr L-ASPARTATE OXIDASE

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 GLY A 181
ALA A 182
ASP A 164
THR A 160
VAL A 184
 None
 0.96A 1k6cB-1knrA:
undetectable		 1k6cB-1knrA:
11.19
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.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum) 		PF01425
(Amidase) 		6 GLY A 142
ALA A 141
GLY A 164
PRO A 128
THR A 118
VAL A  36
 None
 1.18A 1k6cB-1ocmA:
undetectable		 1k6cB-1ocmA:
15.72
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.
1ofu CELL DIVISION
PROTEIN FTSZ

(Pseudomonas
aeruginosa) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 192
ALA A 193
GLY A 227
PRO A 165
THR A 133
 None
None
None
None
GDP  A1318 ( 4.9A)
 0.94A 1k6cB-1ofuA:
undetectable		 1k6cB-1ofuA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ogo DEXTRANASE

(Talaromyces
minioluteus) 		PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N) 		6 ALA X 397
ASP X 395
GLY X 458
ILE X 457
PRO X 489
THR X 443
 None
GLC  X1576 (-2.7A)
None
None
None
None
 1.34A 1k6cB-1ogoX:
undetectable		 1k6cB-1ogoX:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1php 3-PHOSPHOGLYCERATE
KINASE

(Geobacillus
stearothermophilus) 		PF00162
(PGK) 		5 ASP A 294
GLY A 330
VAL A 280
THR A 278
VAL A 267
 None
 0.96A 1k6cB-1phpA:
undetectable		 1k6cB-1phpA:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pl8 HUMAN SORBITOL
DEHYDROGENASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 167
VAL A 177
GLY A 160
ILE A 161
VAL A 175
 None
 0.97A 1k6cB-1pl8A:
undetectable		 1k6cB-1pl8A:
14.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
 None
 0.35A 1k6cB-1q9pA:
10.8		 1k6cB-1q9pA:
91.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
PRO A  81
 None
 0.91A 1k6cB-1q9pA:
10.8		 1k6cB-1q9pA:
91.58
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.
1quu HUMAN SKELETAL
MUSCLE ALPHA-ACTININ
2

(Homo sapiens) 		PF00435
(Spectrin) 		5 GLY A 147
ALA A 148
ASP A 151
VAL A 231
VAL A 227
 None
 0.95A 1k6cB-1quuA:
undetectable		 1k6cB-1quuA:
14.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		6 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.42A 1k6cB-1sivA:
18.4		 1k6cB-1sivA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
 0.43A 1k6cB-1sivA:
18.4		 1k6cB-1sivA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  48
PRO A  81
 None
 0.91A 1k6cB-1sivA:
18.4		 1k6cB-1sivA:
49.49
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.
1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 156
VAL A  36
ILE A  90
THR A 150
VAL A 152
 None
 0.97A 1k6cB-1u3tA:
undetectable		 1k6cB-1u3tA:
13.90
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 390
ASP A 442
VAL A 466
GLY A 418
ILE A 419
 TPP  A1602 ( 3.9A)
MG  A1603 ( 2.8A)
None
None
None
 0.98A 1k6cB-1v5fA:
undetectable		 1k6cB-1v5fA:
10.98
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.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		5 GLY A 247
ALA A 246
GLY A 271
ILE A 126
THR A  74
 None
 0.98A 1k6cB-1w5dA:
undetectable		 1k6cB-1w5dA:
12.12
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.
1w8j MYOSIN VA

(Gallus gallus) 		PF00063
(Myosin_head) 		5 GLY A 236
ALA A 237
GLY A 434
ILE A 433
VAL A 196
 None
 0.92A 1k6cB-1w8jA:
undetectable		 1k6cB-1w8jA:
9.48
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.
1x44 MYOSIN-BINDING
PROTEIN C, SLOW-TYPE

(Homo sapiens) 		PF07679
(I-set) 		5 ALA A  36
ASP A  35
ASP A  34
ILE A  57
VAL A  31
 None
 0.96A 1k6cB-1x44A:
undetectable		 1k6cB-1x44A:
19.09
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.
1ytq BETA CRYSTALLIN B2

(Homo sapiens) 		PF00030
(Crystall) 		5 ASP A 125
ASP A 126
VAL A 128
ILE A 109
VAL A 186
 None
 0.85A 1k6cB-1ytqA:
undetectable		 1k6cB-1ytqA:
18.32
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.
1zxq INTERCELLULAR
ADHESION MOLECULE-2

(Homo sapiens) 		PF03921
(ICAM_N) 		5 GLY A 103
ALA A 155
ASP A 156
ASP A 159
VAL A 100
 None
 0.96A 1k6cB-1zxqA:
undetectable		 1k6cB-1zxqA:
21.11
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.
2dfs MYOSIN-5A

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ) 		5 GLY A 236
ALA A 237
GLY A 434
ILE A 433
VAL A 196
 None
 0.90A 1k6cB-2dfsA:
undetectable		 1k6cB-2dfsA:
7.03
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.
2dpm PROTEIN
(ADENINE-SPECIFIC
METHYLTRANSFERASE
DPNII 1)

(Streptococcus
pneumoniae) 		PF02086
(MethyltransfD12) 		5 GLY A 233
ALA A 234
ASP A 189
VAL A 191
VAL A 236
 None
 0.92A 1k6cB-2dpmA:
undetectable		 1k6cB-2dpmA:
18.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 ARG A   8
ASP A  25
GLY A  27
ASP A  29
GLY A  55
PRO A  86
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.64A 1k6cB-2fmbA:
15.2		 1k6cB-2fmbA:
31.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  54
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-3.6A)
 0.84A 1k6cB-2fmbA:
15.2		 1k6cB-2fmbA:
31.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  55
PRO A  86
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.31A 1k6cB-2fmbA:
15.2		 1k6cB-2fmbA:
31.73
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.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 190
ALA A 189
GLY A 183
ILE A 180
PRO A 296
 None
None
PLP  A 400 (-3.4A)
PLP  A 400 (-4.9A)
PLP  A 400 (-4.0A)
 0.65A 1k6cB-2isqA:
undetectable		 1k6cB-2isqA:
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.
2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1

(Homo sapiens) 		PF00171
(Aldedh) 		5 GLY A 231
VAL A 259
GLY A 162
ILE A 163
VAL A 255
 NAI  A1501 (-3.4A)
None
None
None
None
 0.89A 1k6cB-2j6lA:
undetectable		 1k6cB-2j6lA:
11.84
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.
2jex REGULATORY PROTEIN
E2

(Deltapapillomavirus
4) 		PF00508
(PPV_E2_N) 		5 GLY A 151
ALA A 152
ASP A 153
VAL A 119
VAL A 117
 None
 0.81A 1k6cB-2jexA:
undetectable		 1k6cB-2jexA:
15.09
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.
2jg7 ANTIQUITIN

(Acanthopagrus
schlegelii) 		PF00171
(Aldedh) 		5 GLY A 229
VAL A 257
GLY A 160
ILE A 161
VAL A 253
 NAD  A1510 (-3.4A)
None
None
None
None
 0.87A 1k6cB-2jg7A:
undetectable		 1k6cB-2jg7A:
13.15
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.
2jqv AIG2 PROTEIN-LIKE

(Arabidopsis
thaliana) 		PF06094
(GGACT) 		5 GLY A  64
ALA A  36
VAL A 102
ILE A  67
VAL A  93
 None
 0.98A 1k6cB-2jqvA:
undetectable		 1k6cB-2jqvA:
18.29
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.
2nlz CEPHALOSPORIN
ACYLASE

(Bacillus
halodurans) 		PF01019
(G_glu_transpept) 		5 GLY A 512
ASP A 467
GLY A 526
ILE A 515
VAL A 451
 None
 0.94A 1k6cB-2nlzA:
undetectable		 1k6cB-2nlzA:
12.73
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.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 ASP A 110
GLY A  86
ASP A  82
VAL A 136
GLY A 164
 SAM  A 400 (-2.7A)
SAM  A 400 ( 3.2A)
None
SAM  A 400 (-3.8A)
SAM  A 400 (-3.5A)
 0.98A 1k6cB-2qe6A:
undetectable		 1k6cB-2qe6A:
17.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 0.54A 1k6cB-2rkfA:
20.9		 1k6cB-2rkfA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
 0.88A 1k6cB-2rkfA:
20.9		 1k6cB-2rkfA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 ARG A  10
ASP A  37
GLY A  39
ALA A  40
ASP A  41
 None
 0.79A 1k6cB-2rspA:
13.0		 1k6cB-2rspA:
32.00
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.
3al0 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermotoga
maritima) 		PF01425
(Amidase) 		5 GLY A 152
ALA A 151
GLY A 174
THR A 128
VAL A  40
 None
 0.90A 1k6cB-3al0A:
undetectable		 1k6cB-3al0A:
13.00
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.
3bi3 ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE ALKB

(Escherichia
coli) 		PF13532
(2OG-FeII_Oxy_2) 		5 ARG A 183
GLY A 108
ALA A 107
VAL A 175
VAL A 177
 None
 0.94A 1k6cB-3bi3A:
undetectable		 1k6cB-3bi3A:
17.59
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.
3dlc PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE

(Methanococcus
maripaludis) 		PF08241
(Methyltransf_11) 		5 ASP A  72
GLY A  52
ASP A  48
VAL A 101
GLY A 118
 SAM  A 220 (-2.9A)
SAM  A 220 (-3.2A)
SAM  A 220 ( 4.9A)
SAM  A 220 ( 4.2A)
SAM  A 220 (-4.7A)
 0.93A 1k6cB-3dlcA:
undetectable		 1k6cB-3dlcA:
18.75
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.
3g7k 3-METHYLITACONATE
ISOMERASE

(Eubacterium
barkeri) 		PF04303
(PrpF) 		5 GLY A 312
VAL A 177
ILE A 349
THR A 169
VAL A 201
 None
 0.94A 1k6cB-3g7kA:
undetectable		 1k6cB-3g7kA:
12.60
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 GLY A 264
ALA A 265
ASP A 266
GLY A 460
ILE A 459
 None
 0.78A 1k6cB-3i5gA:
undetectable		 1k6cB-3i5gA:
8.12
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.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 235
ALA A 236
GLY A 208
ILE A 203
VAL A 239
 None
 0.83A 1k6cB-3ip1A:
undetectable		 1k6cB-3ip1A:
12.83
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.
3kgy BIFUNCTIONAL
DEAMINASE-REDUCTASE
DOMAIN PROTEIN

(Chloroflexus
aurantiacus) 		PF01872
(RibD_C) 		5 ARG A 147
GLY A  83
GLY A  89
PRO A  99
VAL A 104
 None
NDP  A 301 (-3.5A)
EDO  A 215 (-3.3A)
None
None
 0.98A 1k6cB-3kgyA:
undetectable		 1k6cB-3kgyA:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ktn CARBOHYDRATE KINASE,
PFKB FAMILY

(Enterococcus
faecalis) 		PF00294
(PfkB) 		5 VAL A 320
GLY A 287
ILE A 284
THR A 318
VAL A 323
 None
 0.99A 1k6cB-3ktnA:
undetectable		 1k6cB-3ktnA:
16.49
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.
3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT

(Mycobacterium
tuberculosis) 		PF00731
(AIRC) 		5 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 0.96A 1k6cB-3lp6A:
undetectable		 1k6cB-3lp6A:
18.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
PRO A  81
 None
 0.92A 1k6cB-3mwsA:
19.5		 1k6cB-3mwsA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 None
 0.60A 1k6cB-3mwsA:
19.5		 1k6cB-3mwsA:
74.75
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.
3nec INFLAMMATORY
PROFILIN

(Toxoplasma
gondii) 		PF00235
(Profilin) 		5 GLY A  41
ALA A  35
ASP A   5
ILE A 133
VAL A  13
 None
 0.88A 1k6cB-3necA:
undetectable		 1k6cB-3necA:
20.57
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.
3opq PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE,CATALYTI
C SUBUNIT

(Francisella
tularensis) 		PF00731
(AIRC) 		5 GLY A  66
ALA A  65
ASP A  14
GLY A 117
ILE A 116
 PO4  A 164 (-3.7A)
PO4  A 164 (-3.3A)
PO4  A 164 (-2.8A)
FMT  A 166 (-3.3A)
None
 0.99A 1k6cB-3opqA:
undetectable		 1k6cB-3opqA:
20.13
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  56
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.55A 1k6cB-3slzA:
11.2		 1k6cB-3slzA:
26.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
VAL A  39
PRO A  89
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-4.0A)
 0.71A 1k6cB-3slzA:
11.2		 1k6cB-3slzA:
26.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
VAL A  84
 SO4  A 101 (-3.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.69A 1k6cB-3t3cA:
18.5		 1k6cB-3t3cA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
PRO A  81
VAL A  84
 SO4  A 101 (-3.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
None
None
 0.77A 1k6cB-3t3cA:
18.5		 1k6cB-3t3cA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
 0.55A 1k6cB-3ttpA:
19.5		 1k6cB-3ttpA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 1.47A 1k6cB-3u7sA:
19.8		 1k6cB-3u7sA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
VAL A  84
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
None
 0.57A 1k6cB-3u7sA:
19.8		 1k6cB-3u7sA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
PRO A  81
VAL A  84
 None
 0.40A 1k6cB-3uhlA:
16.1		 1k6cB-3uhlA:
79.80
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.
3uxm THYMIDYLATE KINASE

(Pseudomonas
aeruginosa) 		PF02223
(Thymidylate_kin) 		5 GLY A 187
ALA A 186
ASP A 136
GLY A 142
THR A  18
 None
 0.95A 1k6cB-3uxmA:
undetectable		 1k6cB-3uxmA:
19.62
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.
3w2i NADH-CYTOCHROME B5
REDUCTASE 3

(Sus scrofa) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ASP A  72
ASP A  73
GLY A  43
ILE A   5
PRO A  36
 None
 0.96A 1k6cB-3w2iA:
undetectable		 1k6cB-3w2iA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wxo CATALASE-PEROXIDASE

(Synechococcus
elongatus) 		PF00141
(peroxidase) 		5 GLY A 616
VAL A 533
GLY A 610
ILE A 609
VAL A 463
 None
 0.99A 1k6cB-3wxoA:
undetectable		 1k6cB-3wxoA:
10.07
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.
4d1e ALPHA-ACTININ-2

(Homo sapiens) 		PF00307
(CH)
PF00435
(Spectrin)
PF08726
(EFhand_Ca_insen) 		5 GLY A 534
ALA A 535
ASP A 538
VAL A 618
VAL A 614
 None
 0.96A 1k6cB-4d1eA:
undetectable		 1k6cB-4d1eA:
8.42
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.
4grd PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT

(Burkholderia
cenocepacia) 		PF00731
(AIRC) 		5 GLY A  77
ALA A  76
ASP A  25
GLY A 128
ILE A 127
 None
 0.99A 1k6cB-4grdA:
undetectable		 1k6cB-4grdA:
19.75
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.
4ir8 SEDOHEPTULOSE-1,7
BISPHOSPHATASE,
PUTATIVE

(Toxoplasma
gondii) 		PF00316
(FBPase) 		6 ASP A 184
GLY A 197
VAL A 167
GLY A 180
ILE A 200
VAL A 166
 None
 1.50A 1k6cB-4ir8A:
undetectable		 1k6cB-4ir8A:
14.29
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.
4jig DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 GLY A 120
ALA A 121
GLY A  94
ILE A  95
VAL A 169
 None
None
None
GOL  A 303 (-4.8A)
None
 0.99A 1k6cB-4jigA:
undetectable		 1k6cB-4jigA:
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.
4jq9 DIHYDROLIPOYL
DEHYDROGENASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 182
GLY A 191
ILE A 201
THR A 223
VAL A 210
 None
 0.93A 1k6cB-4jq9A:
undetectable		 1k6cB-4jq9A:
12.79
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.
4kkm POLYPRENYL
SYNTHETASE

(Zymomonas
mobilis) 		PF00348
(polyprenyl_synt) 		5 ALA A 224
ASP A 225
ASP A 226
GLY A 218
ILE A 217
 None
 0.94A 1k6cB-4kkmA:
undetectable		 1k6cB-4kkmA:
19.61
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.
4kws D-MANNONATE
DEHYDRATASE

(Chromohalobacter
salexigens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  34
ALA A  90
GLY A 294
ILE A 295
THR A  68
 None
 0.96A 1k6cB-4kwsA:
undetectable		 1k6cB-4kwsA:
13.12
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.
4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN

(Bordetella
pertussis) 		PF13458
(Peripla_BP_6) 		5 ALA A 308
VAL A  31
GLY A  75
ILE A  76
VAL A  27
 None
 0.94A 1k6cB-4mptA:
undetectable		 1k6cB-4mptA:
16.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
GLY A  27
VAL A  32
GLY A  49
ILE A  50
THR A  82
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
 0.74A 1k6cB-4njvA:
20.5		 1k6cB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
THR A  82
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.84A 1k6cB-4njvA:
20.5		 1k6cB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
THR A  82
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.64A 1k6cB-4njvA:
20.5		 1k6cB-4njvA:
86.87
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.
4pcg VP1

(Human
polyomavirus 6) 		PF00718
(Polyoma_coat) 		6 ALA A 194
ASP A 195
ASP A 144
VAL A 182
GLY A 147
PRO A 188
 None
 1.48A 1k6cB-4pcgA:
undetectable		 1k6cB-4pcgA:
16.17
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.
4tqk LECTIN 2

(Agrocybe
aegerita) 		PF13517
(VCBS) 		5 ASP A 235
GLY A 240
ASP A 179
VAL A 233
GLY A 261
 None
 0.96A 1k6cB-4tqkA:
undetectable		 1k6cB-4tqkA:
14.52
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.
4tqk LECTIN 2

(Agrocybe
aegerita) 		PF13517
(VCBS) 		5 ASP A 345
GLY A 350
ASP A 290
VAL A 343
GLY A 371
 None
 0.76A 1k6cB-4tqkA:
undetectable		 1k6cB-4tqkA:
14.52
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.
4tqt D-HYDANTOINASE

(Brucella suis) 		PF01979
(Amidohydro_1) 		5 GLY A 389
ALA A 390
ASP A 391
ASP A 393
THR A  17
 None
 0.97A 1k6cB-4tqtA:
undetectable		 1k6cB-4tqtA:
12.73
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.
4ttp DEPHOSPHO-COA KINASE

(Legionella
pneumophila) 		PF01121
(CoaE) 		5 ALA A 175
ASP A 176
ASP A 177
GLY A  12
ILE A 118
 None
 0.83A 1k6cB-4ttpA:
undetectable		 1k6cB-4ttpA:
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.
4wvr DOWN SYNDROME CELL
ADHESION MOLECULE,
ISOFORM AK

(Drosophila
melanogaster) 		PF13927
(Ig_3) 		5 GLY A  80
VAL A  20
ILE A  57
THR A  22
VAL A 101
 None
 0.93A 1k6cB-4wvrA:
undetectable		 1k6cB-4wvrA:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		7 ARG A  10
ASP A  32
GLY A  34
ALA A  35
ASP A  36
VAL A  39
GLY A  58
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
4B1  A 201 (-3.4A)
 0.77A 1k6cB-4ydfA:
13.2		 1k6cB-4ydfA:
30.77
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.
4zb3 NUDIX HYDROLASE 7

(Arabidopsis
thaliana) 		PF00293
(NUDIX) 		5 ALA A 163
ASP A 164
VAL A 151
ILE A 111
VAL A 155
 None
 0.94A 1k6cB-4zb3A:
undetectable		 1k6cB-4zb3A:
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.
4zr8 UROPORPHYRINOGEN
DECARBOXYLASE

(Acinetobacter
baumannii) 		PF01208
(URO-D) 		5 GLY A 263
ALA A 264
ASP A 265
ILE A 230
THR A 249
 None
 0.90A 1k6cB-4zr8A:
undetectable		 1k6cB-4zr8A:
15.41
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.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 GLY A 464
ALA A 465
ASP A 485
VAL A 542
VAL A 458
 None
 0.96A 1k6cB-5a55A:
undetectable		 1k6cB-5a55A:
6.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
 None
 0.65A 1k6cB-5b18A:
18.1		 1k6cB-5b18A:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
GLY A  27
ALA A  28
ASP A  29
GLY A  49
 None
 0.88A 1k6cB-5b18A:
18.1		 1k6cB-5b18A:
75.76
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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 GLY A 809
ALA A 806
GLY A1087
ILE A1085
VAL A 803
 None
MTE  A3003 (-3.8A)
MTE  A3003 ( 3.4A)
None
None
 0.87A 1k6cB-5epgA:
undetectable		 1k6cB-5epgA:
6.32
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.
5m2n ELONGATOR COMPLEX
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ALA A 402
ASP A 390
GLY A 772
ILE A 782
VAL A 388
 None
 0.98A 1k6cB-5m2nA:
undetectable		 1k6cB-5m2nA:
8.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
GLY A  27
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 None
 0.64A 1k6cB-5t2zA:
20.0		 1k6cB-5t2zA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 None
 0.49A 1k6cB-5t2zA:
20.0		 1k6cB-5t2zA:
78.79
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.
5tfq BETA-LACTAMASE

(Bacteroides
cellulosilyticus) 		PF13354
(Beta-lactamase2) 		5 GLY A 234
ALA A 233
ASP A 232
ILE A 109
VAL A 167
 None
 0.91A 1k6cB-5tfqA:
undetectable		 1k6cB-5tfqA:
17.22
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.
5tgf UNCHARACTERIZED
PROTEIN

(Bacteroides
dorei) 		PF00144
(Beta-lactamase) 		5 GLY A  69
ALA A  70
ASP A  73
GLY A 221
ILE A 217
 None
 0.85A 1k6cB-5tgfA:
undetectable		 1k6cB-5tgfA:
13.86
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.
5ufm METHYLTRANSFERASE
DOMAIN PROTEIN

(Burkholderia
thailandensis) 		no annotation 5 ASP A  95
GLY A  76
ASP A  72
VAL A 120
GLY A 136
 SAH  A 301 (-2.7A)
SAH  A 301 (-3.6A)
None
SAH  A 301 (-4.1A)
AZ8  A 302 ( 3.5A)
 0.80A 1k6cB-5ufmA:
undetectable		 1k6cB-5ufmA:
17.71
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.
5vmb SERINE
HYDROXYMETHYLTRANSFE
RASE

(Acinetobacter
baumannii) 		PF00464
(SHMT) 		5 GLY A  86
ALA A  87
ASP A  88
ILE A 219
THR A 225
 None
 0.83A 1k6cB-5vmbA:
undetectable		 1k6cB-5vmbA:
13.83
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.
5w1a MYOSIN HEAVY CHAIN,
MUSCLE

(Drosophila
melanogaster) 		no annotation 5 ALA A 260
ASP A 261
VAL A 219
GLY A 457
ILE A 456
 None
 0.90A 1k6cB-5w1aA:
undetectable		 1k6cB-5w1aA:
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.
5zhz PROBABLE
ENDONUCLEASE 4

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A 227
ALA A 228
ASP A 188
THR A 163
VAL A 190
 None
 0.99A 1k6cB-5zhzA:
undetectable		 1k6cB-5zhzA:
21.57
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.
6c7s PUTATIVE RIFAMPIN
MONOOXYGENASE

(Nocardia
farcinica) 		no annotation 5 GLY A 242
ALA A 241
VAL A 192
THR A 187
VAL A 191
 None
 0.90A 1k6cB-6c7sA:
undetectable		 1k6cB-6c7sA:
22.45
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 ARG A  13
ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.60A 1k6cB-6fivA:
15.4		 1k6cB-6fivA:
29.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.89A 1k6cB-6upjA:
18.1		 1k6cB-6upjA:
48.48