SIMILAR PATTERNS OF AMINO ACIDS FOR 4NJV_A_RITA500_2

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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 GLY A 353
GLY A 414
ILE A 415
PRO A 391
ILE A 355
 None
 1.02A 4njvB-1b0kA:
undetectable		 4njvB-1b0kA:
9.44
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 ASP E 215
GLY E 217
VAL E 222
GLY E  76
ILE E 300
 None
 0.73A 4njvB-1cziE:
6.7		 4njvB-1cziE:
17.79
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.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		5 GLY A  40
ASP A  38
VAL A 324
ILE A  44
ILE A 328
 None
 1.01A 4njvB-1fobA:
undetectable		 4njvB-1fobA:
14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fw8 PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 ASP A 241
GLY A 277
ASP A 211
THR A 224
ILE A 213
 None
 1.02A 4njvB-1fw8A:
undetectable		 4njvB-1fw8A:
13.79
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 ARG A   8
ASP A  25
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-3.6A)
 1.39A 4njvB-1hvcA:
14.0		 4njvB-1hvcA:
43.35
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 ARG A   8
ASP A  25
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 1.39A 4njvB-1hvcA:
14.0		 4njvB-1hvcA:
43.35
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
ASP A  25
GLY A  27
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
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)
A79  A 800 (-3.6A)
 0.41A 4njvB-1hvcA:
14.0		 4njvB-1hvcA:
43.35
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
ASP A  25
GLY A  27
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
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)
A79  A 800 (-3.8A)
 0.47A 4njvB-1hvcA:
14.0		 4njvB-1hvcA:
43.35
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 ARG A  87
ASP A  25
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
A79  A 800 (-2.7A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 1.47A 4njvB-1hvcA:
14.0		 4njvB-1hvcA:
43.35
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 ASP A  25
ASP A  29
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.95A 4njvB-1hvcA:
14.0		 4njvB-1hvcA:
43.35
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  29
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.89A 4njvB-1hvcA:
14.0		 4njvB-1hvcA:
43.35
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.
1i8a ENDO-1,4-BETA-XYLANA
SE A

(Thermotoga
maritima) 		PF06452
(CBM9_1) 		5 ASP A 177
GLY A  88
ASP A  94
PRO A 170
THR A 171
 None
None
CA  A 190 (-2.3A)
None
None
 1.02A 4njvB-1i8aA:
undetectable		 4njvB-1i8aA:
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.
1ir0 FERREDOXIN

(Bacillus
thermoproteolyticus) 		PF13370
(Fer4_13) 		5 GLY A  60
VAL A   6
GLY A  18
THR A   4
ILE A  66
 None
SF4  A  82 ( 4.6A)
None
None
SF4  A  82 (-4.8A)
 0.93A 4njvB-1ir0A:
undetectable		 4njvB-1ir0A:
23.53
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.
1pv9 XAA-PRO DIPEPTIDASE

(Pyrococcus
furiosus) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 GLY A  92
ASP A 116
VAL A 117
GLY A  89
ILE A 118
 None
 0.96A 4njvB-1pv9A:
undetectable		 4njvB-1pv9A:
13.01
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.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 GLY A 125
ASP A 170
ILE A 147
THR A 273
ILE A 167
 CA  A2001 ( 4.2A)
None
None
None
None
 1.00A 4njvB-1q8fA:
undetectable		 4njvB-1q8fA:
15.56
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) 		7 ASP A  25
GLY A  27
ASP A  29
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
 0.68A 4njvB-1q9pA:
10.9		 4njvB-1q9pA:
84.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qdl PROTEIN
(ANTHRANILATE
SYNTHASE
(TRPG-SUBUNIT))

(Sulfolobus
solfataricus) 		PF00117
(GATase) 		5 GLY B  95
ASP B 141
ILE B  90
THR B  57
ILE B  98
 None
 1.02A 4njvB-1qdlB:
undetectable		 4njvB-1qdlB:
20.10
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
GLY A  27
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.70A 4njvB-1sivA:
18.3		 4njvB-1sivA:
48.48
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 ASP A  25
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 1.19A 4njvB-1sivA:
18.3		 4njvB-1sivA:
48.48
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 ASP A  25
GLY A  27
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.54A 4njvB-1sivA:
18.3		 4njvB-1sivA:
48.48
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 ASP A  25
GLY A  27
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 None
 0.96A 4njvB-1sivA:
18.3		 4njvB-1sivA:
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.
1t6k PHENAZINE
BIOSYNTHESIS PROTEIN
PHZF

(Pseudomonas
fluorescens) 		PF02567
(PhzC-PhzF) 		6 ASP A  57
VAL A  49
GLY A  84
ILE A  81
THR A  47
ILE A  60
 None
 1.17A 4njvB-1t6kA:
undetectable		 4njvB-1t6kA:
15.00
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.
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
 1.01A 4njvB-1v5fA:
undetectable		 4njvB-1v5fA:
10.80
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.
1vgp 373AA LONG
HYPOTHETICAL CITRATE
SYNTHASE

(Sulfurisphaera
tokodaii) 		PF00285
(Citrate_synt) 		5 ASP A 106
GLY A 117
ILE A 118
PRO A 125
THR A 126
 None
 0.88A 4njvB-1vgpA:
undetectable		 4njvB-1vgpA:
13.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		5 GLY A 224
GLY A 352
ILE A 351
PRO A 517
ILE A 508
 None
 0.91A 4njvB-2fj0A:
undetectable		 4njvB-2fj0A:
10.66
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 ARG A   8
ASP A  25
GLY A  27
ASP A  29
VAL A  32
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.50A 4njvB-2fmbA:
15.2		 4njvB-2fmbA:
33.33
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
VAL A  32
GLY A  54
PRO A  86
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
None
LP1  A 201 (-3.6A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.85A 4njvB-2fmbA:
15.2		 4njvB-2fmbA:
33.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g4r MOLYBDOPTERIN
BIOSYNTHESIS MOG
PROTEIN

(Mycobacterium
tuberculosis) 		PF00994
(MoCF_biosynth) 		5 GLY A 115
ASP A  97
GLY A 118
ILE A 125
ILE A  99
 None
TRS  A 301 (-2.8A)
None
None
None
 0.85A 4njvB-2g4rA:
undetectable		 4njvB-2g4rA:
22.84
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.
2gee HYPOTHETICAL PROTEIN

(Homo sapiens) 		PF00041
(fn3) 		5 GLY A 148
ASP A 141
GLY A 124
ILE A 122
THR A 177
 None
 1.00A 4njvB-2geeA:
undetectable		 4njvB-2geeA:
16.26
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.
2hdn ELONGATION FACTOR
EF-TU

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		6 GLY B 316
ASP B 314
GLY B 353
ILE B 310
THR B  93
ILE B  60
 None
 1.23A 4njvB-2hdnB:
undetectable		 4njvB-2hdnB:
16.88
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.
2q1y CELL DIVISION
PROTEIN FTSZ

(Mycobacterium
tuberculosis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 224
VAL A 128
GLY A 193
THR A 157
ILE A 159
 None
 0.76A 4njvB-2q1yA:
undetectable		 4njvB-2q1yA:
14.48
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
ASP A  37
PRO A 120
ILE A 123
 None
 0.85A 4njvB-2qzwA:
7.2		 4njvB-2qzwA:
13.06
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 ARG A   8
ASP A  25
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 1.42A 4njvB-2rkfA:
20.6		 4njvB-2rkfA:
80.81
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
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
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)
AB1  A 501 ( 4.2A)
 0.53A 4njvB-2rkfA:
20.6		 4njvB-2rkfA:
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.
2vxy CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 227
VAL A 131
GLY A 196
THR A 160
ILE A 162
 None
 0.85A 4njvB-2vxyA:
undetectable		 4njvB-2vxyA:
14.17
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.
2xio PUTATIVE
DEOXYRIBONUCLEASE
TATDN1

(Homo sapiens) 		PF01026
(TatD_DNase) 		5 ASP A  34
VAL A  35
GLY A  20
ILE A  21
PRO A 224
 None
 1.01A 4njvB-2xioA:
undetectable		 4njvB-2xioA:
17.88
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.
2y89 PHOSPHORIBOSYL
ISOMERASE A

(Mycobacterium
tuberculosis) 		PF00977
(His_biosynth) 		5 ASP A 171
GLY A 176
ASP A 184
GLY A 136
ILE A 134
 None
 1.02A 4njvB-2y89A:
undetectable		 4njvB-2y89A:
18.91
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.
3a9s D-ARABINOSE
ISOMERASE

(Aeribacillus
pallidus) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 ASP A  64
GLY A  15
ILE A  89
THR A 101
ILE A  67
 None
 0.99A 4njvB-3a9sA:
undetectable		 4njvB-3a9sA:
10.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 GLY A 502
ASP A   3
VAL A 546
GLY A 521
ILE A 517
 None
 1.02A 4njvB-3bmwA:
undetectable		 4njvB-3bmwA:
11.05
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.
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)
 1.02A 4njvB-3dlcA:
undetectable		 4njvB-3dlcA:
18.26
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 GLY A  30
VAL A  58
GLY A  75
THR A  51
ILE A  48
 None
 1.02A 4njvB-3i5gA:
undetectable		 4njvB-3i5gA:
8.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kh9 THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBE

(Pseudomonas
aeruginosa) 		PF08534
(Redoxin) 		5 ASP A 123
GLY A 126
VAL A  69
GLY A 133
ILE A  97
 None
 0.92A 4njvB-3kh9A:
undetectable		 4njvB-3kh9A:
17.14
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 ASP A  25
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 1.35A 4njvB-3mwsA:
19.3		 4njvB-3mwsA:
70.71
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 ASP A  25
GLY A  27
ASP A  29
ASP A  30
VAL A  32
GLY A  49
PRO A  81
ILE A  84
 None
 0.66A 4njvB-3mwsA:
19.3		 4njvB-3mwsA:
70.71
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 ASP A  25
GLY A  27
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.63A 4njvB-3mwsA:
19.3		 4njvB-3mwsA:
70.71
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) 		7 GLY A  27
ASP A  29
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 None
 0.96A 4njvB-3mwsA:
19.3		 4njvB-3mwsA:
70.71
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 ARG A  37
GLY A 196
VAL A 214
GLY A 202
ILE A 234
 None
None
None
SFG  A 491 (-4.1A)
None
 0.95A 4njvB-3n71A:
undetectable		 4njvB-3n71A:
14.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3njx RHAMNOGALACTURONASE
B

(Aspergillus
aculeatus) 		PF09284
(RhgB_N)
PF14683
(CBM-like)
PF14686
(fn3_3) 		5 GLY A 346
ASP A 349
VAL A 336
GLY A 420
ILE A 419
 None
CA  A 800 (-2.9A)
None
None
None
 1.01A 4njvB-3njxA:
undetectable		 4njvB-3njxA:
13.49
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.
3r18 SULFITE OXIDASE

(Gallus gallus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 ARG A 189
ASP A 321
VAL A 295
GLY A 324
PRO A 346
 None
 1.02A 4njvB-3r18A:
undetectable		 4njvB-3r18A:
10.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rhd LACTALDEHYDE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF00171
(Aldedh) 		5 ASP A 206
GLY A 226
PRO A 139
THR A 138
ILE A 137
 None
None
None
None
NAP  A 500 (-4.4A)
 1.02A 4njvB-3rhdA:
undetectable		 4njvB-3rhdA:
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.
3rmg OCTAPRENYL-DIPHOSPHA
TE SYNTHASE

(Bacteroides
thetaiotaomicron) 		PF00348
(polyprenyl_synt) 		5 ASP A 212
ASP A 213
GLY A 205
ILE A 204
ILE A 289
 None
 0.93A 4njvB-3rmgA:
undetectable		 4njvB-3rmgA:
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
VAL A  39
GLY A  56
PRO A  89
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
None
3TL  A 126 (-3.4A)
3TL  A 126 (-4.0A)
 0.72A 4njvB-3slzA:
11.7		 4njvB-3slzA:
25.95
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 ASP A  25
ASP A  29
ASP A  30
VAL A  32
GLY A  49
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
None
 0.86A 4njvB-3t3cA:
18.2		 4njvB-3t3cA:
74.75
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) 		7 ASP A  25
GLY A  27
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
 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)
 0.45A 4njvB-3t3cA:
18.2		 4njvB-3t3cA:
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.
3tov GLYCOSYL TRANSFERASE
FAMILY 9

(Veillonella
parvula) 		PF01075
(Glyco_transf_9) 		5 GLY A 273
GLY A 250
ILE A 161
THR A  23
ILE A  20
 None
 0.96A 4njvB-3tovA:
undetectable		 4njvB-3tovA:
14.38
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
ASP A  25
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 1.40A 4njvB-3ttpA:
19.6		 4njvB-3ttpA:
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
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.6A)
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)
017  A 201 (-4.7A)
 0.64A 4njvB-3ttpA:
19.6		 4njvB-3ttpA:
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) 		5 ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 017  A 201 (-3.3A)
017  A 201 (-4.6A)
None
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 1.00A 4njvB-3ttpA:
19.6		 4njvB-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
ASP A  25
GLY A  27
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
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)
 0.54A 4njvB-3u7sA:
20.1		 4njvB-3u7sA:
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.
3wgk CELL DIVISION
PROTEIN FTSZ

(Staphylococcus
aureus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 225
VAL A 131
GLY A 196
THR A 160
ILE A 162
 None
 0.90A 4njvB-3wgkA:
undetectable		 4njvB-3wgkA:
11.87
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.
3wgp VITAMIN D3 RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLY A 304
ASP A 299
VAL A 297
GLY A 164
ILE A 310
 None
 1.03A 4njvB-3wgpA:
undetectable		 4njvB-3wgpA:
17.13
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.
4a2l TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		5 ARG A 505
VAL A 558
GLY A 515
ILE A 500
ILE A 548
 None
 0.95A 4njvB-4a2lA:
undetectable		 4njvB-4a2lA:
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.
4e6e CELL DIVISION
PROTEIN FTSZ

(Thermobifida
fusca) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 224
VAL A 128
GLY A 193
THR A 157
ILE A 159
 None
 0.83A 4njvB-4e6eA:
undetectable		 4njvB-4e6eA:
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.
4g6c BETA-HEXOSAMINIDASE
1

(Burkholderia
cenocepacia) 		PF00933
(Glyco_hydro_3) 		5 ASP A 128
GLY A 174
VAL A 136
ILE A 215
ILE A 137
 None
 0.91A 4njvB-4g6cA:
undetectable		 4njvB-4g6cA:
16.05
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.
4gis ENOLASE

(Vibrio harveyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A 371
GLY A 366
ILE A 100
THR A  23
ILE A 315
 None
 0.93A 4njvB-4gisA:
undetectable		 4njvB-4gisA:
13.27
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.
4iv5 ASPARTATE
CARBAMOYLTRANSFERASE
, PUTATIVE

(Trypanosoma
cruzi) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 GLY A  51
VAL A 109
ILE A  74
PRO A  56
THR A  55
 None
 0.84A 4njvB-4iv5A:
undetectable		 4njvB-4iv5A:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j2o UDP-N-ACETYLGLUCOSAM
INE
4,6-DEHYDRATASE/5-EP
IMERASE

(Acinetobacter
baumannii) 		PF02719
(Polysacc_synt_2)
PF08485
(Polysacc_syn_2C) 		5 GLY A 103
ASP A  60
GLY A  11
THR A  71
ILE A  67
 None
NAP  A 400 (-3.3A)
NAP  A 400 (-3.3A)
None
None
 1.04A 4njvB-4j2oA:
undetectable		 4njvB-4j2oA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jc5 TRANSMEMBRANE
PROTEIN 173

(Mus musculus) 		PF15009
(TMEM173) 		5 GLY A 233
GLY A 165
ILE A 164
PRO A 172
ILE A 229
 None
 0.91A 4njvB-4jc5A:
undetectable		 4njvB-4jc5A:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kpn NUCLEOSIDE
N-RIBOHYDROLASE 1

(Physcomitrella
patens) 		PF01156
(IU_nuc_hydro) 		5 GLY A  27
ASP A  29
GLY A 142
ILE A  51
ILE A  34
 None
CA  A 400 ( 4.5A)
CA  A 400 ( 4.4A)
None
None
 1.01A 4njvB-4kpnA:
undetectable		 4njvB-4kpnA:
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.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		5 GLY A  10
ASP A  12
GLY A 124
ILE A  34
ILE A  17
 None
CA  A 401 ( 4.8A)
CA  A 401 ( 4.3A)
None
None
 0.92A 4njvB-4kpoA:
undetectable		 4njvB-4kpoA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mdy PERIPLASMIC BINDING
PROTEIN

(Mycolicibacterium
smegmatis) 		PF01497
(Peripla_BP_2) 		5 VAL A  37
GLY A 164
ILE A 163
THR A  46
ILE A  48
 None
 0.85A 4njvB-4mdyA:
undetectable		 4njvB-4mdyA:
17.07
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.
4mso SERINE
HYDROXYMETHYLTRANSFE
RASE

(Burkholderia
cenocepacia) 		PF00464
(SHMT) 		5 ARG A 294
ASP A 320
VAL A 319
GLY A 304
ILE A 307
 None
 0.97A 4njvB-4msoA:
undetectable		 4njvB-4msoA:
11.22
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.
4ng4 PHOSPHOGLYCERATE
KINASE

(Coxiella
burnetii) 		PF00162
(PGK) 		5 ASP A 293
GLY A 329
ASP A 264
VAL A 279
ILE A 266
 MG  A 401 (-2.9A)
MG  A 401 ( 4.0A)
None
None
None
 1.01A 4njvB-4ng4A:
undetectable		 4njvB-4ng4A:
14.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oh1 L-IDITOL
2-DEHYDROGENASE

([Clostridium]
scindens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 247
ASP A 204
VAL A 202
GLY A 183
ILE A 178
 None
 0.98A 4njvB-4oh1A:
undetectable		 4njvB-4oh1A:
14.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pm4 IRON COMPLEX
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Mycobacterium
tuberculosis) 		PF01497
(Peripla_BP_2) 		5 VAL A  16
GLY A 143
ILE A 142
THR A  25
ILE A  27
 None
 0.83A 4njvB-4pm4A:
undetectable		 4njvB-4pm4A:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qo5 HYPOTHETICAL
MULTIHEME PROTEIN

(Ignicoccus
hospitalis) 		PF13435
(Cytochrome_C554)
PF13447
(Multi-haem_cyto) 		5 GLY A 225
GLY A 230
PRO A 135
THR A 134
ILE A 132
 None
HEC  A 606 ( 3.9A)
HEC  A 605 ( 4.8A)
None
HEC  A 602 ( 4.6A)
 0.99A 4njvB-4qo5A:
undetectable		 4njvB-4qo5A:
12.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qsl PYRUVATE CARBOXYLASE

(Listeria
monocytogenes) 		no annotation 6 ARG H 723
ASP H 760
VAL H 759
GLY H 708
ILE H 673
ILE H 725
 None
 1.40A 4njvB-4qslH:
undetectable		 4njvB-4qslH:
7.30
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.
4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE LARGE
SUBUNIT

(Aquincola
tertiaricarbonis) 		PF01642
(MM_CoA_mutase) 		5 ASP A 149
ASP A  98
ILE A 495
PRO A 121
THR A 122
 None
 1.03A 4njvB-4r3uA:
undetectable		 4njvB-4r3uA:
10.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rlb CARBAPENEM-ASSOCIATE
D RESISTANCE PROTEIN

(Acinetobacter
baumannii) 		no annotation 5 GLY A 196
ASP A 201
ASP A 123
GLY A 192
ILE A 188
 None
 0.97A 4njvB-4rlbA:
undetectable		 4njvB-4rlbA:
17.14
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.
4tqk LECTIN 2

(Agrocybe
aegerita) 		PF13517
(VCBS) 		5 ASP A 345
GLY A 350
ASP A 290
VAL A 343
GLY A 371
 None
 0.87A 4njvB-4tqkA:
undetectable		 4njvB-4tqkA:
13.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u39 CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 227
VAL A 131
GLY A 196
THR A 160
ILE A 162
 None
 0.91A 4njvB-4u39A:
undetectable		 4njvB-4u39A:
15.76
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.
4xgj UNCHARACTERIZED
PROTEIN

(Pectobacterium
atrosepticum) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 ARG A 216
GLY A 229
VAL A  13
GLY A  27
ILE A  88
 None
 0.98A 4njvB-4xgjA:
undetectable		 4njvB-4xgjA:
11.98
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.
4xr9 CALS8

(Micromonospora
echinospora) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 ASP A 248
VAL A 249
GLY A 452
ILE A 451
ILE A 250
 None
 0.93A 4njvB-4xr9A:
undetectable		 4njvB-4xr9A:
14.75
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
ASP A  36
VAL A  39
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-4.4A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.64A 4njvB-4ydfA:
13.4		 4njvB-4ydfA:
33.06
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.
4yzg PROTEIN PHOSPHATASE
2C 57

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 ASP A 238
GLY A 160
GLY A 179
ILE A 178
ILE A 230
 None
 0.92A 4njvB-4yzgA:
undetectable		 4njvB-4yzgA:
16.84
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
ASP A  29
ASP A  30
ILE A  84
 None
 0.36A 4njvB-5b18A:
18.3		 4njvB-5b18A:
78.79
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
ASP A  29
GLY A  49
ILE A  84
 None
 0.89A 4njvB-5b18A:
18.3		 4njvB-5b18A:
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.
5erp DESMOCOLLIN-2

(Homo sapiens) 		PF00028
(Cadherin) 		5 VAL A 383
GLY A 429
ILE A 409
PRO A 379
THR A 380
 None
NAG  A 806 ( 4.5A)
NAG  A 806 (-3.5A)
None
None
 1.03A 4njvB-5erpA:
undetectable		 4njvB-5erpA:
13.07
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.
5j7n LOW MOLECULAR WEIGHT
HEAT SHOCK PROTEIN

(Xylella
fastidiosa) 		PF00011
(HSP20) 		5 ASP A 119
ASP A 117
GLY A  77
ILE A  78
ILE A 134
 None
 0.97A 4njvB-5j7nA:
undetectable		 4njvB-5j7nA:
20.62
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.
5mn5 CELL DIVISION
PROTEIN FTSZ

(Staphylococcus
aureus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 227
VAL A 131
GLY A 196
THR A 160
ILE A 162
 None
 1.02A 4njvB-5mn5A:
undetectable		 4njvB-5mn5A:
14.75
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
ASP A  25
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 1.39A 4njvB-5t2zA:
20.0		 4njvB-5t2zA:
85.86
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) 		10 ARG A   8
ASP A  25
GLY A  27
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.50A 4njvB-5t2zA:
20.0		 4njvB-5t2zA:
85.86
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.
5t89 VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF00047
(ig)
PF07679
(I-set)
PF13927
(Ig_3) 		5 ARG X 261
GLY X 316
PRO X 257
THR X 256
ILE X 229
 None
 0.91A 4njvB-5t89X:
undetectable		 4njvB-5t89X:
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.
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)
 0.86A 4njvB-5ufmA:
undetectable		 4njvB-5ufmA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT
ALDEHYDE OXIDASE
SMALL SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 5 GLY A 141
GLY C 683
ILE C 745
THR C 722
ILE C 720
 None
 0.98A 4njvB-5y6qA:
undetectable		 4njvB-5y6qA:
21.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ARG A  13
ASP A  30
GLY A  32
ASP A  34
GLY A  58
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.22A 4njvB-6fivA:
15.9		 4njvB-6fivA:
31.30
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
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.89A 4njvB-6upjA:
18.1		 4njvB-6upjA:
47.47