SIMILAR PATTERNS OF AMINO ACIDS FOR 2NMZ_B_ROCB401_3

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.
1a5z L-LACTATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  99
ALA A  98
ILE A  95
ALA A 124
ILE A 123
 NAD  A 352 (-3.0A)
NAD  A 352 (-3.7A)
None
None
None
 0.89A 2nmzB-1a5zA:
undetectable		 2nmzB-1a5zA:
16.61
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 LEU E  30
ASP E  32
GLY E  34
ASP E  37
ILE E 120
 None
 0.57A 2nmzB-1cziE:
6.8		 2nmzB-1cziE:
17.42
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.
1d7a PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE

(Escherichia
coli) 		PF00731
(AIRC) 		5 GLY A 125
ALA A 126
ILE A  12
GLY A  69
ALA A  21
 None
 0.82A 2nmzB-1d7aA:
undetectable		 2nmzB-1d7aA:
22.88
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.
1ek6 UDP-GALACTOSE
4-EPIMERASE

(Homo sapiens) 		PF16363
(GDP_Man_Dehyd) 		5 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.83A 2nmzB-1ek6A:
undetectable		 2nmzB-1ek6A:
14.83
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		6 LEU A 302
GLY A 294
ALA A 293
ILE A  54
ILE A 551
ILE A 301
 None
FAD  A 600 ( 3.8A)
FAD  A 600 (-3.6A)
None
None
None
 1.33A 2nmzB-1gpeA:
undetectable		 2nmzB-1gpeA:
9.83
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.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		5 GLY A 389
ALA A 390
ILE A 434
GLY A 226
ILE A 225
 None
None
None
None
IMD  A 902 ( 4.3A)
 0.89A 2nmzB-1gz5A:
undetectable		 2nmzB-1gz5A:
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.
1h74 HOMOSERINE KINASE

(Methanocaldococcus
jannaschii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		6 LEU A 112
GLY A  80
GLY A  65
ILE A  48
ALA A 108
ILE A 109
 None
 1.16A 2nmzB-1h74A:
undetectable		 2nmzB-1h74A:
13.45
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.
1hjo PROTEIN (HEAT-SHOCK
70KD PROTEIN)

(Homo sapiens) 		PF00012
(HSP70) 		6 ALA A 157
ILE A 144
GLY A 162
ILE A 164
ALA A  70
ILE A  74
 None
 1.20A 2nmzB-1hjoA:
undetectable		 2nmzB-1hjoA:
14.69
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) 		10 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-3.6A)
 0.58A 2nmzB-1hvcA:
13.7		 2nmzB-1hvcA:
46.31
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) 		11 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.58A 2nmzB-1hvcA:
13.7		 2nmzB-1hvcA:
46.31
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) 		10 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.72A 2nmzB-1hvcA:
13.7		 2nmzB-1hvcA:
46.31
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) 		6 LEU A  23
ALA A  28
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 1.06A 2nmzB-1hvcA:
13.7		 2nmzB-1hvcA:
46.31
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) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  48
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 (-3.6A)
A79  A 800 (-3.6A)
 0.83A 2nmzB-1hvcA:
13.7		 2nmzB-1hvcA:
46.31
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 LEU A  30
ASP A  32
GLY A  34
ASP A  37
ILE A 120
 None
 0.73A 2nmzB-1mppA:
7.1		 2nmzB-1mppA:
14.13
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.
1o0w RIBONUCLEASE III

(Thermotoga
maritima) 		PF00035
(dsrm)
PF14622
(Ribonucleas_3_3) 		5 LEU A 125
GLY A 117
GLY A 110
ALA A 128
ILE A 124
 None
 0.83A 2nmzB-1o0wA:
undetectable		 2nmzB-1o0wA:
17.46
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.
1pix GLUTACONYL-COA
DECARBOXYLASE A
SUBUNIT

(Acidaminococcus
fermentans) 		PF01039
(Carboxyl_trans) 		5 LEU A 146
GLY A 189
ALA A 211
GLY A 252
ILE A 187
 None
 0.84A 2nmzB-1pixA:
undetectable		 2nmzB-1pixA:
11.67
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.
1pjm IMPORTIN ALPHA-2
SUBUNIT

(Mus musculus) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 GLY B 335
ALA B 336
GLY B 303
ALA B 316
ILE B 317
 None
 0.91A 2nmzB-1pjmB:
undetectable		 2nmzB-1pjmB:
12.77
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.
1q7h CONSERVED
HYPOTHETICAL PROTEIN

(Thermoplasma
acidophilum) 		PF01472
(PUA)
PF09183
(DUF1947) 		6 LEU A  84
GLY A  78
ALA A  79
ILE A  94
ALA A 118
ILE A  83
 None
 1.32A 2nmzB-1q7hA:
undetectable		 2nmzB-1q7hA:
21.38
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) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  84
 None
 0.56A 2nmzB-1q9pA:
9.9		 2nmzB-1q9pA:
98.95
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.
1rif DNA HELICASE UVSW

(Escherichia
virus T4) 		PF04851
(ResIII) 		5 GLY A 274
ILE A  51
ILE A 269
ALA A 237
ILE A 242
 None
 0.88A 2nmzB-1rifA:
undetectable		 2nmzB-1rifA:
16.14
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) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
 1.38A 2nmzB-1sivA:
18.1		 2nmzB-1sivA:
51.96
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) 		10 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.68A 2nmzB-1sivA:
18.1		 2nmzB-1sivA:
51.96
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 None
 0.96A 2nmzB-1sivA:
18.1		 2nmzB-1sivA:
51.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uaa PROTEIN
(ATP-DEPENDENT DNA
HELICASE REP.)

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 LEU A 630
ALA A 596
ILE A 291
ILE A 283
PRO A 634
 None
 0.86A 2nmzB-1uaaA:
undetectable		 2nmzB-1uaaA:
10.62
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.
1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE

(Arthrobacter
sp. KM) 		PF00480
(ROK) 		6 LEU A 246
GLY A 254
ALA A 126
ASP A 123
ILE A 158
ALA A 244
 None
None
None
BGC  A 290 (-2.9A)
None
None
 1.32A 2nmzB-1woqA:
undetectable		 2nmzB-1woqA:
18.35
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.
1wy0 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00348
(polyprenyl_synt) 		6 ALA A 184
GLY A 189
ILE A 191
PRO A  71
ALA A  74
ILE A  75
 None
 1.46A 2nmzB-1wy0A:
undetectable		 2nmzB-1wy0A:
13.61
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 LEU A 362
ALA A 588
ILE A 450
GLY A 582
ILE A 416
 None
 0.85A 2nmzB-1z8lA:
undetectable		 2nmzB-1z8lA:
9.24
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.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
None
A70  A 500 (-4.8A)
 0.82A 2nmzB-1zapA:
7.8		 2nmzB-1zapA:
16.46
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.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		5 LEU A 216
ASP A 218
GLY A 220
ALA A 303
ILE A 305
 None
A70  A 500 ( 2.3A)
A70  A 500 (-3.3A)
A70  A 500 ( 3.8A)
A70  A 500 (-4.8A)
 0.80A 2nmzB-1zapA:
7.8		 2nmzB-1zapA:
16.46
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.
1zaw 50S RIBOSOMAL
PROTEIN L10

(Thermotoga
maritima) 		PF00466
(Ribosomal_L10) 		5 ALA A  27
GLY A 116
ILE A  24
ALA A  95
ILE A  99
 None
 0.88A 2nmzB-1zawA:
undetectable		 2nmzB-1zawA:
20.56
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.
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		6 LEU A 374
GLY A 409
ILE A   5
ILE A  65
ALA A  50
ILE A  47
 None
 1.20A 2nmzB-2bb0A:
undetectable		 2nmzB-2bb0A:
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.
2daz INAD-LIKE PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		6 GLY A  62
ALA A  64
ASP A  67
ILE A  29
ILE A  96
ILE A  58
 None
 1.46A 2nmzB-2dazA:
undetectable		 2nmzB-2dazA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
 None
 0.83A 2nmzB-2dwsA:
undetectable		 2nmzB-2dwsA:
16.72
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.
2et6 (3R)-HYDROXYACYL-COA
DEHYDROGENASE

(Candida
tropicalis) 		PF00106
(adh_short) 		5 LEU A  26
GLY A  17
ALA A  16
ILE A  12
ALA A  29
 None
 0.84A 2nmzB-2et6A:
undetectable		 2nmzB-2et6A:
10.69
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.
2ewn BIRA BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		5 GLY A 186
ALA A 185
GLY A 154
ILE A 153
ILE A 207
 BTX  A 501 (-3.3A)
None
None
None
None
 0.73A 2nmzB-2ewnA:
undetectable		 2nmzB-2ewnA:
19.05
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) 		9 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  53
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.61A 2nmzB-2fmbA:
15.1		 2nmzB-2fmbA:
33.02
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  54
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.2A)
 0.71A 2nmzB-2fmbA:
15.1		 2nmzB-2fmbA:
33.02
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.
2g1s RENIN

(Homo sapiens) 		PF00026
(Asp) 		5 LEU A 219
ASP A 221
GLY A 223
ALA A 224
PRO A 301
 None
4IG  A 885 (-2.6A)
4IG  A 885 (-3.9A)
4IG  A 885 ( 4.7A)
None
 0.77A 2nmzB-2g1sA:
8.0		 2nmzB-2g1sA:
13.81
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.
2hpg ABC TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF03480
(DctP) 		6 LEU A 123
GLY A 272
ILE A 279
PRO A 116
ALA A 119
ILE A 120
 None
 0.94A 2nmzB-2hpgA:
undetectable		 2nmzB-2hpgA:
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.
2i1n DISCS, LARGE HOMOLOG
3

(Homo sapiens) 		PF00595
(PDZ) 		6 GLY A 142
ALA A 171
ASP A 174
ILE A 132
ILE A 145
ILE A 165
 None
 1.31A 2nmzB-2i1nA:
undetectable		 2nmzB-2i1nA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.90A 2nmzB-2isqA:
undetectable		 2nmzB-2isqA:
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.
2o2x HYPOTHETICAL PROTEIN

(Mesorhizobium
loti) 		PF13242
(Hydrolase_like) 		6 LEU A  33
GLY A  71
ALA A  70
PRO A  62
ALA A  63
ILE A 208
 None
 1.43A 2nmzB-2o2xA:
undetectable		 2nmzB-2o2xA:
18.35
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.
2q0l THIOREDOXIN
REDUCTASE

(Helicobacter
pylori) 		PF07992
(Pyr_redox_2) 		5 ALA A   5
ILE A 108
GLY A   8
ALA A  95
ILE A  93
 None
None
FAD  A 400 (-3.2A)
None
None
 0.87A 2nmzB-2q0lA:
undetectable		 2nmzB-2q0lA:
15.99
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.
2q9r PROTEIN OF UNKNOWN
FUNCTION

(Shewanella
baltica) 		PF04222
(DUF416) 		6 LEU A  53
ALA A 100
GLY A 106
ILE A 108
ALA A  52
ILE A 101
 None
 1.45A 2nmzB-2q9rA:
undetectable		 2nmzB-2q9rA:
20.86
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.
2qyg RIBULOSE
BISPHOSPHATE
CARBOXYLASE-LIKE
PROTEIN 2

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 GLY A 169
ASP A 360
GLY A 378
ILE A 166
ILE A 399
 None
 0.85A 2nmzB-2qygA:
undetectable		 2nmzB-2qygA:
14.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		5 LEU A 216
ASP A 218
GLY A 220
ALA A 303
ILE A 305
 None
 0.81A 2nmzB-2qzwA:
7.9		 2nmzB-2qzwA:
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.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
ASP A  37
ALA A 119
ILE A 123
 None
 0.90A 2nmzB-2qzxA:
7.2		 2nmzB-2qzxA:
18.12
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.
2rgj FLAVIN-CONTAINING
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		6 LEU A 328
GLY A 322
ALA A 323
ILE A 104
ALA A  56
ILE A 327
 None
FAD  A 403 (-3.9A)
FAD  A 403 (-3.2A)
None
None
None
 1.40A 2nmzB-2rgjA:
undetectable		 2nmzB-2rgjA:
16.53
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.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		5 LEU A 283
GLY A  63
ALA A  62
GLY A  57
ILE A 280
 None
 0.84A 2nmzB-2ri6A:
undetectable		 2nmzB-2ri6A:
16.37
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) 		6 ALA A  28
ASP A  30
GLY A  48
PRO A  81
ALA A  82
ILE A  84
 AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.6A)
AB1  A 501 ( 4.2A)
 0.93A 2nmzB-2rkfA:
20.4		 2nmzB-2rkfA:
83.84
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) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 ( 4.2A)
 1.46A 2nmzB-2rkfA:
20.4		 2nmzB-2rkfA:
83.84
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) 		11 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ALA A  82
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.6A)
AB1  A 501 ( 4.2A)
 0.51A 2nmzB-2rkfA:
20.4		 2nmzB-2rkfA:
83.84
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) 		6 ARG A  10
LEU A  35
ASP A  37
GLY A  39
ALA A  40
ILE A 108
 None
 0.87A 2nmzB-2rspA:
12.7		 2nmzB-2rspA:
33.60
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) 		6 ARG A 105
LEU A  35
ASP A  37
GLY A  39
ALA A  40
ILE A 108
 None
 1.44A 2nmzB-2rspA:
12.7		 2nmzB-2rspA:
33.60
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.
2v8n LACTOSE PERMEASE

(Escherichia
coli) 		PF01306
(LacY_symp) 		5 LEU A  76
GLY A 115
PRO A 123
ALA A 124
ILE A  80
 None
 0.90A 2nmzB-2v8nA:
undetectable		 2nmzB-2v8nA:
12.29
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		6 LEU A1286
GLY A1273
ALA A1272
ASP A1291
ILE A1322
GLY A1324
 None
 1.44A 2nmzB-2vdcA:
undetectable		 2nmzB-2vdcA:
6.30
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 LEU A 188
GLY A 255
ALA A 254
ILE A 248
ILE A 185
 None
 0.84A 2nmzB-2wskA:
undetectable		 2nmzB-2wskA:
8.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zxo SINGLE-STRANDED DNA
SPECIFIC EXONUCLEASE
RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 LEU A  92
GLY A 187
ALA A 188
PRO A 207
ILE A  91
 None
 0.86A 2nmzB-2zxoA:
undetectable		 2nmzB-2zxoA:
10.34
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.
3bbj PUTATIVE
THIOESTERASE II

(Thermobifida
fusca) 		PF13622
(4HBT_3) 		6 LEU A  25
GLY A  28
GLY A  32
ILE A  31
PRO A  67
ALA A  68
 None
None
CL  A 274 ( 3.7A)
None
None
None
 1.28A 2nmzB-3bbjA:
undetectable		 2nmzB-3bbjA:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ckz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		6 LEU A 426
ASP A 460
GLY A 461
ALA A 462
GLY A 109
ILE A 108
 None
 1.22A 2nmzB-3ckzA:
undetectable		 2nmzB-3ckzA:
14.74
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.
3d79 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0734

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF09183
(DUF1947) 		6 LEU A 101
GLY A  95
ALA A  96
ILE A 111
ALA A 136
ILE A 100
 None
 1.28A 2nmzB-3d79A:
undetectable		 2nmzB-3d79A:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ecd SERINE
HYDROXYMETHYLTRANSFE
RASE 2

(Burkholderia
pseudomallei) 		PF00464
(SHMT) 		5 GLY A 216
ALA A 215
ILE A 209
PRO A 370
ILE A 291
 None
 0.89A 2nmzB-3ecdA:
undetectable		 2nmzB-3ecdA:
14.13
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.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF07992
(Pyr_redox_2) 		5 GLY A 284
ALA A  17
ILE A  66
GLY A  22
ILE A   7
 None
 0.83A 2nmzB-3fbsA:
undetectable		 2nmzB-3fbsA:
17.06
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.
3g68 PUTATIVE
PHOSPHOSUGAR
ISOMERASE

(Clostridioides
difficile) 		PF01380
(SIS) 		6 ALA A 225
ASP A 221
ILE A 218
GLY A 214
ILE A 213
ILE A 317
 None
 1.34A 2nmzB-3g68A:
undetectable		 2nmzB-3g68A:
15.62
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.
3gf7 GLUTACONYL-COA
DECARBOXYLASE
SUBUNIT A

([Clostridium]
symbiosum) 		PF01039
(Carboxyl_trans) 		5 LEU A 148
GLY A 191
ALA A 213
GLY A 256
ILE A 189
 None
 0.83A 2nmzB-3gf7A:
undetectable		 2nmzB-3gf7A:
10.67
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.
3gh8 IODOTYROSINE
DEHALOGENASE 1

(Mus musculus) 		PF00881
(Nitroreductase) 		5 LEU A 256
GLY A 218
ILE A 116
GLY A 120
ILE A 190
 None
 0.86A 2nmzB-3gh8A:
undetectable		 2nmzB-3gh8A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gk0 PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Burkholderia
pseudomallei) 		PF03740
(PdxJ) 		6 LEU A 213
ALA A 198
ILE A 221
GLY A 201
ALA A 209
ILE A 210
 None
 1.33A 2nmzB-3gk0A:
undetectable		 2nmzB-3gk0A:
19.05
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.
3gl1 HEAT SHOCK PROTEIN
SSB1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		6 ALA A 159
ILE A 146
GLY A 164
ILE A 166
ALA A  72
ILE A  76
 None
 1.07A 2nmzB-3gl1A:
undetectable		 2nmzB-3gl1A:
13.95
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.
3i8b XYLULOSE KINASE

(Bifidobacterium
adolescentis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 421
ALA A 422
ILE A 301
ALA A 327
ILE A 417
 None
 0.88A 2nmzB-3i8bA:
undetectable		 2nmzB-3i8bA:
11.46
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.
3iay DNA POLYMERASE DELTA
CATALYTIC SUBUNIT

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A 976
GLY A 975
ALA A 971
ILE A 811
GLY A 598
 None
 0.79A 2nmzB-3iayA:
undetectable		 2nmzB-3iayA:
8.51
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.
3j7a 40S RIBOSOMAL
PROTEIN ES6

(Plasmodium
falciparum) 		PF01092
(Ribosomal_S6e) 		5 LEU H 111
GLY H  55
ILE H 101
GLY H 103
ILE H  52
 None
G  A 160 ( 3.9A)
None
None
None
 0.83A 2nmzB-3j7aH:
undetectable		 2nmzB-3j7aH:
16.60
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.
3khz PUTATIVE DIPEPTIDASE
SACOL1801

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20) 		6 LEU A 130
GLY A  73
ALA A  72
GLY A  80
ALA A 126
ILE A 127
 None
 1.09A 2nmzB-3khzA:
undetectable		 2nmzB-3khzA:
12.08
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		5 LEU A 156
GLY A 153
ASP A 120
ILE A  77
ILE A 130
 None
 0.80A 2nmzB-3kl7A:
undetectable		 2nmzB-3kl7A:
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.
3kuu PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
PURE

(Yersinia pestis) 		PF00731
(AIRC) 		5 GLY A 130
ALA A 131
ILE A  17
GLY A  74
ALA A  26
 None
 0.91A 2nmzB-3kuuA:
undetectable		 2nmzB-3kuuA:
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.
3mdo PUTATIVE
PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Parabacteroides
distasonis) 		PF02769
(AIRS_C) 		6 LEU A 251
GLY A 256
ALA A 255
ASP A 246
ILE A 319
ILE A 248
 None
 1.05A 2nmzB-3mdoA:
undetectable		 2nmzB-3mdoA:
13.92
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) 		6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  50
 None
 1.46A 2nmzB-3mwsA:
19.6		 2nmzB-3mwsA:
78.79
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
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 None
 0.76A 2nmzB-3mwsA:
19.6		 2nmzB-3mwsA:
78.79
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
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  50
PRO A  81
ILE A  84
 None
 0.65A 2nmzB-3mwsA:
19.6		 2nmzB-3mwsA:
78.79
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) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.35A 2nmzB-3mwsA:
19.6		 2nmzB-3mwsA:
78.79
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
PRO A  81
ILE A  84
 None
 0.70A 2nmzB-3mwsA:
19.6		 2nmzB-3mwsA:
78.79
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.42A 2nmzB-3mwsA:
19.6		 2nmzB-3mwsA:
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 LEU A 724
GLY A 697
PRO A 615
ALA A 616
ILE A 695
 None
 0.86A 2nmzB-3opyA:
undetectable		 2nmzB-3opyA:
7.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qlj SHORT CHAIN
DEHYDROGENASE

(Mycobacterium
avium) 		PF00106
(adh_short) 		5 LEU A  24
GLY A  15
ALA A  14
ILE A  10
ALA A  27
 None
 0.74A 2nmzB-3qljA:
undetectable		 2nmzB-3qljA:
19.15
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
GLY A  34
ALA A  35
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.4A)
 0.33A 2nmzB-3slzA:
11.0		 2nmzB-3slzA:
25.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sn0 PUTATIVE
L-ALANINE-DL-GLUTAMA
TE EPIMERASE

(Paraburkholderia
xenovorans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 ARG A 273
GLY A  80
ASP A 290
ILE A 292
GLY A  87
ILE A  86
 None
 1.43A 2nmzB-3sn0A:
undetectable		 2nmzB-3sn0A:
12.20
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.
3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE

(Acidithiobacillus
ferrooxidans) 		PF07992
(Pyr_redox_2) 		5 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.69A 2nmzB-3t2yA:
undetectable		 2nmzB-3t2yA:
12.44
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) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 1.45A 2nmzB-3t3cA:
18.3		 2nmzB-3t3cA:
75.76
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ALA A  82
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
SO4  A 101 (-3.5A)
 0.77A 2nmzB-3t3cA:
18.3		 2nmzB-3t3cA:
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.
3tl2 MALATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A  40
ASP A  36
GLY A  12
ILE A  85
ILE A  37
 None
EDO  A 315 (-3.3A)
EDO  A 315 ( 4.1A)
None
None
 0.89A 2nmzB-3tl2A:
undetectable		 2nmzB-3tl2A:
16.13
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
ASP A  29
GLY A  49
ILE A  50
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 1.42A 2nmzB-3ttpA:
19.1		 2nmzB-3ttpA:
76.77
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) 		10 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.59A 2nmzB-3ttpA:
19.1		 2nmzB-3ttpA:
76.77
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) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 1.48A 2nmzB-3u7sA:
19.5		 2nmzB-3u7sA:
76.77
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
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.64A 2nmzB-3u7sA:
19.5		 2nmzB-3u7sA:
76.77
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) 		5 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
 None
 0.62A 2nmzB-3uhlA:
16.2		 2nmzB-3uhlA:
79.80
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) 		5 LEU A  23
ASP A  25
GLY A  27
ALA A  28
PRO A  81
 None
 0.59A 2nmzB-3uhlA:
16.2		 2nmzB-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.
3wbn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF01554
(MatE) 		6 LEU A 122
ALA A 140
ILE A 111
PRO A 117
ALA A 118
ILE A 119
 None
 1.21A 2nmzB-3wbnA:
undetectable		 2nmzB-3wbnA:
12.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		5 GLY X 577
ALA X 578
ILE X 345
GLY X 355
ILE X 357
 None
 0.87A 2nmzB-3zyyX:
undetectable		 2nmzB-3zyyX:
10.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c0t LIKELY PROTEIN
KINASE

(Candida
albicans) 		PF00069
(Pkinase) 		6 ASP A 430
GLY A 429
ILE A 496
GLY A 435
ALA A 351
ILE A 352
 None
 1.46A 2nmzB-4c0tA:
undetectable		 2nmzB-4c0tA:
8.40
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.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		5 ALA A 180
GLY A 175
ILE A 174
PRO A 134
ILE A 109
 None
 0.84A 2nmzB-4c3yA:
undetectable		 2nmzB-4c3yA:
11.88
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.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		5 LEU A 103
ALA A 180
ILE A 174
PRO A 134
ILE A 109
 None
 0.77A 2nmzB-4c3yA:
undetectable		 2nmzB-4c3yA:
11.88