SIMILAR PATTERNS OF AMINO ACIDS FOR 4HFP_D_15UD402_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a0j TRYPSIN

(Salmo salar)
PF00089
(Trypsin)
6 HIS A  57
LEU A  99
ASP A 189
VAL A 213
TRP A 215
GLY A 226
SO4  A 248 (-3.9A)
None
BEN  A 246 (-3.0A)
None
None
BEN  A 246 (-3.3A)
0.38A 4hfpD-1a0jA:
33.7
4hfpD-1a0jA:
37.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a5i PLASMINOGEN
ACTIVATOR


(Desmodus
rotundus)
PF00089
(Trypsin)
5 HIS A  57
ASP A 189
ALA A 190
TRP A 215
GLY A 226
0GJ  A 245 (-2.7A)
0GJ  A 245 (-3.1A)
0GJ  A 245 (-3.4A)
None
0GJ  A 245 ( 4.2A)
0.31A 4hfpD-1a5iA:
32.8
4hfpD-1a5iA:
32.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bqy PLASMINOGEN
ACTIVATOR


(Trimeresurus
stejnegeri)
PF00089
(Trypsin)
5 HIS A  57
ASP A 189
VAL A 213
TRP A 215
GLY A 226
0GJ  A   1 ( 2.7A)
0GJ  A   1 (-3.1A)
None
None
0GJ  A   1 ( 4.3A)
0.26A 4hfpD-1bqyA:
31.9
4hfpD-1bqyA:
32.83
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.
1elv COMPLEMENT C1S
COMPONENT


(Homo sapiens)
PF00084
(Sushi)
PF00089
(Trypsin)
5 HIS A 460
ASP A 611
VAL A 638
TRP A 640
GLY A 648
SO4  A2001 ( 3.9A)
None
None
None
None
0.33A 4hfpD-1elvA:
31.2
4hfpD-1elvA:
28.00
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.
1ept PORCINE E-TRYPSIN

(Sus scrofa)
PF00089
(Trypsin)
6 HIS A  57
LEU B  99
ASP C 189
VAL C 213
TRP C 215
GLY C 226
None
0.42A 4hfpD-1eptA:
2.2
4hfpD-1eptA:
15.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fxy COAGULATION FACTOR
XA-TRYPSIN CHIMERA


(Homo sapiens)
PF00089
(Trypsin)
5 HIS A  57
ASP A 189
VAL A 213
TRP A 215
GLY A 226
0G6  A   1 (-2.7A)
0G6  A   1 (-2.8A)
None
None
0G6  A   1 (-3.3A)
0.35A 4hfpD-1fxyA:
32.7
4hfpD-1fxyA:
36.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1h4w TRYPSIN IVA

(Homo sapiens)
PF00089
(Trypsin)
6 HIS A  57
LEU A  99
ASP A 189
VAL A 213
TRP A 215
GLY A 226
None
None
BEN  A 250 (-2.9A)
None
None
BEN  A 250 (-3.3A)
0.34A 4hfpD-1h4wA:
33.9
4hfpD-1h4wA:
36.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1h9h TRYPSIN

(Sus scrofa)
PF00089
(Trypsin)
6 HIS E  57
LEU E  99
ASP E 189
VAL E 213
TRP E 215
GLY E 226
None
0.37A 4hfpD-1h9hE:
33.6
4hfpD-1h9hE:
38.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1id5 THROMBIN

(Bos taurus)
PF00089
(Trypsin)
7 HIS H  57
ILE H 174
ASP H 189
ALA H 190
VAL H 213
TRP H 215
GLY H 226
None
0.40A 4hfpD-1id5H:
42.4
4hfpD-1id5H:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1id5 THROMBIN

(Bos taurus)
PF00089
(Trypsin)
5 LEU H  99
ASP H 189
ALA H 190
VAL H 213
GLY H 226
None
0.66A 4hfpD-1id5H:
42.4
4hfpD-1id5H:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j17 TRYPSIN II, ANIONIC

(Rattus
norvegicus)
PF00089
(Trypsin)
6 HIS T  57
ASP T 189
ALA T 190
VAL T 213
TRP T 215
GLY T 226
SO4  T 600 (-3.8A)
ZEN  T   1 ( 3.8A)
ZEN  T   1 (-3.8A)
ZEN  T   1 (-4.1A)
ZEN  T   1 (-3.4A)
ZEN  T   1 (-3.7A)
0.28A 4hfpD-1j17T:
34.3
4hfpD-1j17T:
37.35
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.
1kae HISTIDINOL
DEHYDROGENASE


(Escherichia
coli)
PF00815
(Histidinol_dh)
5 LEU A 313
ILE A 330
ALA A 278
ALA A 274
VAL A 309
None
1.08A 4hfpD-1kaeA:
undetectable
4hfpD-1kaeA:
18.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kig FACTOR XA

(Bos taurus)
PF00089
(Trypsin)
6 HIS H  57
ASP H 189
ALA H 190
VAL H 213
TRP H 215
GLY H 226
None
0.44A 4hfpD-1kigH:
34.5
4hfpD-1kigH:
39.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mbq TRYPSIN

(Oncorhynchus
keta)
PF00089
(Trypsin)
5 HIS A  57
ASP A 189
VAL A 213
TRP A 215
GLY A 226
None
BEN  A1222 (-2.9A)
None
None
BEN  A1222 (-3.4A)
0.28A 4hfpD-1mbqA:
33.6
4hfpD-1mbqA:
37.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mkx PRETHROMBIN-2

(Bos taurus)
PF00089
(Trypsin)
PF09396
(Thrombin_light)
8 HIS K  57
TYR K  60
TRP K  60
LEU K  99
ILE K 174
VAL K 213
TRP K 215
GLY K 226
None
0.41A 4hfpD-1mkxK:
36.6
4hfpD-1mkxK:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mkx PRETHROMBIN-2

(Bos taurus)
PF00089
(Trypsin)
PF09396
(Thrombin_light)
6 LEU K  99
ILE K 174
GLU K 146
VAL K 213
TRP K 215
GLY K 226
None
0.90A 4hfpD-1mkxK:
36.6
4hfpD-1mkxK:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o5f SERINE PROTEASE
HEPSIN


(Homo sapiens)
PF00089
(Trypsin)
6 HIS H  57
ASP H 189
ALA H 190
VAL H 213
TRP H 215
GLY H 226
CR9  H 256 (-3.9A)
CR9  H 256 (-2.4A)
CR9  H 256 (-2.9A)
CR9  H 256 (-4.3A)
None
CR9  H 256 (-3.0A)
0.36A 4hfpD-1o5fH:
34.8
4hfpD-1o5fH:
39.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pq5 TRYPSIN

(Fusarium
oxysporum)
PF00089
(Trypsin)
5 HIS A  56
ASP A 189
VAL A 210
TRP A 212
GLY A 223
ARG  A 703 (-4.3A)
ARG  A 703 (-2.0A)
ARG  A 703 (-4.5A)
None
ARG  A 703 (-2.6A)
0.33A 4hfpD-1pq5A:
32.2
4hfpD-1pq5A:
34.48
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.
1q3x MANNAN-BINDING
LECTIN SERINE
PROTEASE 2


(Homo sapiens)
PF00084
(Sushi)
PF00089
(Trypsin)
5 HIS A 483
ASP A 627
VAL A 653
TRP A 655
GLY A 667
None
NA  A 800 ( 4.6A)
GOL  A 701 (-4.9A)
None
GOL  A 701 ( 4.0A)
0.23A 4hfpD-1q3xA:
34.5
4hfpD-1q3xA:
28.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1umb 2-OXO ACID
DEHYDROGENASE ALPHA
SUBUNIT


(Thermus
thermophilus)
PF00676
(E1_dh)
5 HIS A  98
LEU A  51
ILE A 322
ASP A 295
ALA A  70
None
1.02A 4hfpD-1umbA:
undetectable
4hfpD-1umbA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vkm CONSERVED
HYPOTHETICAL PROTEIN
TM1464


(Thermotoga
maritima)
PF04227
(Indigoidine_A)
5 HIS A  23
ALA A  99
GLU A  17
ALA A  94
VAL A  78
None
None
UNL  A 600 (-2.9A)
None
None
1.12A 4hfpD-1vkmA:
undetectable
4hfpD-1vkmA:
21.14
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.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens)
PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2)
5 TRP A 357
LEU A 401
ALA A 375
ALA A 317
GLY A 382
None
1.08A 4hfpD-1w8oA:
undetectable
4hfpD-1w8oA:
19.16
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.
1wky ENDO-BETA-1,4-MANNAN
ASE


(Bacillus sp.
JAMB-602)
PF00150
(Cellulase)
5 TRP A 282
ASP A  88
GLU A 117
ALA A  61
GLY A  90
None
1.03A 4hfpD-1wkyA:
undetectable
4hfpD-1wkyA:
18.86
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.
1woi AGMATINASE

(Deinococcus
radiodurans)
PF00491
(Arginase)
5 LEU A 127
ASP A  82
ALA A  83
ALA A 103
VAL A 107
None
1.14A 4hfpD-1woiA:
undetectable
4hfpD-1woiA:
19.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ym0 FIBRINOTIC ENZYME
COMPONENT B


(Eisenia fetida)
PF00089
(Trypsin)
6 HIS A  57
LEU A  99
ASP A 189
VAL A 213
TRP A 215
GLY A 226
None
0.55A 4hfpD-1ym0A:
35.6
4hfpD-1ym0A:
33.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zlr COAGULATION FACTOR
XI


(Homo sapiens)
PF00089
(Trypsin)
5 HIS A  57
ASP A 189
ALA A 190
TRP A 215
GLY A 226
368  A 901 (-4.0A)
368  A 901 (-2.8A)
368  A 901 (-3.7A)
None
368  A 901 (-3.5A)
0.22A 4hfpD-1zlrA:
34.6
4hfpD-1zlrA:
36.64
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.
2ayi AMINOPEPTIDASE T

(Thermus
thermophilus)
PF02073
(Peptidase_M29)
5 HIS A 345
ILE A 280
ALA A 318
VAL A 317
TRP A 379
ZN  A 501 (-3.9A)
None
ZN  A 501 ( 4.7A)
None
None
1.11A 4hfpD-2ayiA:
undetectable
4hfpD-2ayiA:
20.76
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.
2dkd PHOSPHOACETYLGLUCOSA
MINE MUTASE


(Candida
albicans)
PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
5 HIS A 176
LEU A 175
ILE A 137
ALA A  27
GLY A  74
None
1.06A 4hfpD-2dkdA:
undetectable
4hfpD-2dkdA:
19.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2eek TRYPSIN-1

(Gadus morhua)
PF00089
(Trypsin)
5 HIS A  57
ASP A 189
VAL A 213
TRP A 215
GLY A 226
None
BEN  A 301 (-2.7A)
None
None
BEN  A 301 (-3.2A)
0.29A 4hfpD-2eekA:
33.0
4hfpD-2eekA:
37.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ei8 COAGULATION FACTOR
X, HEAVY CHAIN


(Homo sapiens)
PF00089
(Trypsin)
6 HIS A  57
ASP A 189
ALA A 190
VAL A 213
TRP A 215
GLY A 226
None
DT8  A 700 (-3.5A)
DT8  A 700 (-3.6A)
DT8  A 700 ( 4.1A)
DT8  A 700 (-3.9A)
DT8  A 700 (-3.5A)
0.42A 4hfpD-2ei8A:
35.1
4hfpD-2ei8A:
40.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f91 HEPATOPANCREAS
TRYPSIN


(Astacus
leptodactylus)
PF00089
(Trypsin)
6 HIS A  57
LEU A  99
ASP A 189
VAL A 213
TRP A 215
GLY A 227
None
0.35A 4hfpD-2f91A:
34.3
4hfpD-2f91A:
36.60
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.
2og7 ASPARAGINE OXYGENASE

(Streptomyces
coelicolor)
PF02668
(TauD)
5 LEU A 130
ALA A  35
GLU A  46
ALA A  48
GLY A  37
None
1.09A 4hfpD-2og7A:
undetectable
4hfpD-2og7A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ojh UNCHARACTERIZED
PROTEIN
ATU1656/AGR_C_3050


(Agrobacterium
fabrum)
PF07676
(PD40)
5 HIS A  88
TRP A 131
LEU A  62
ALA A 285
ALA A  44
None
1.12A 4hfpD-2ojhA:
undetectable
4hfpD-2ojhA:
23.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E


(Homo sapiens)
PF00089
(Trypsin)
6 HIS A  57
ASP A 189
ALA A 190
VAL A 213
TRP A 215
GLY A 226
None
BEN  A 245 (-3.0A)
BEN  A 245 (-3.9A)
None
None
BEN  A 245 (-3.4A)
0.28A 4hfpD-2oq5A:
34.5
4hfpD-2oq5A:
36.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B


(Spinacia
oleracea)
PF00044
(Gp_dh_N)
PF02672
(CP12)
PF02800
(Gp_dh_C)
5 ILE O  91
ALA O 120
ALA O 122
VAL O 100
GLY O  95
None
NDP  O 363 ( 3.7A)
None
None
NDP  O 363 (-4.8A)
1.13A 4hfpD-2pkqO:
undetectable
4hfpD-2pkqO:
20.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pks THROMBIN HEAVY CHAIN
FRAGMENT


(Homo sapiens)
PF00089
(Trypsin)
7 ILE C 209
ASP C 229
ALA C 230
GLU C 232
VAL C 255
TRP C 257
GLY C 268
G44  C 101 (-3.9A)
G44  C 101 (-2.6A)
G44  C 101 (-3.8A)
None
None
G44  C 101 (-4.1A)
G44  C 101 (-3.0A)
0.65A 4hfpD-2pksC:
15.6
4hfpD-2pksC:
99.02
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.
2po4 VIRION RNA
POLYMERASE


(Escherichia
virus N4)
no annotation 5 LEU A 816
ILE A 882
ASP A 929
ALA A 568
GLY A 926
None
1.12A 4hfpD-2po4A:
undetectable
4hfpD-2po4A:
12.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2psy KALLIKREIN-5

(Homo sapiens)
PF00089
(Trypsin)
5 HIS A  57
ASP A 189
VAL A 213
TRP A 215
GLY A 226
None
0.45A 4hfpD-2psyA:
14.9
4hfpD-2psyA:
34.48
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.
2qko POSSIBLE
TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY PROTEIN


(Rhodococcus
jostii)
PF00440
(TetR_N)
5 LEU A 109
ALA A  31
ALA A  15
VAL A  18
GLY A  26
None
0.97A 4hfpD-2qkoA:
undetectable
4hfpD-2qkoA:
21.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qy0 COMPLEMENT C1R
SUBCOMPONENT


(Homo sapiens)
PF00089
(Trypsin)
6 HIS B 485
ASP B 631
ALA B 632
VAL B 657
TRP B 659
GLY B 668
None
0.32A 4hfpD-2qy0B:
32.8
4hfpD-2qy0B:
37.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r0l HEPATOCYTE GROWTH
FACTOR ACTIVATOR


(Homo sapiens)
PF00089
(Trypsin)
5 HIS A  57
ASP A 189
ALA A 190
TRP A 215
GLY A 226
None
0.27A 4hfpD-2r0lA:
34.5
4hfpD-2r0lA:
34.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r2w PLASMINOGEN
ACTIVATOR, UROKINASE


(Homo sapiens)
PF00089
(Trypsin)
5 HIS U  57
ASP U 189
VAL U 213
TRP U 215
GLY U 226
4PG  U 300 (-3.9A)
4PG  U 300 (-2.8A)
None
None
4PG  U 300 (-3.2A)
0.42A 4hfpD-2r2wU:
35.0
4hfpD-2r2wU:
31.75
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.
2vpw THIOSULFATE
REDUCTASE


(Thermus
thermophilus)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
5 HIS A 697
ILE A 417
ASP A 466
ALA A 632
GLY A 439
MGD  A1765 (-3.5A)
None
MGD  A1765 (-2.8A)
MGD  A1765 (-2.9A)
MGD  A1765 (-3.1A)
1.08A 4hfpD-2vpwA:
undetectable
4hfpD-2vpwA:
15.91
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.
2whl BETA-MANNANASE

(Salipaludibacillus
agaradhaerens)
PF00150
(Cellulase)
5 TRP A 251
ASP A  57
GLU A  86
ALA A  30
GLY A  59
MAN  A1301 (-4.5A)
None
None
None
None
1.02A 4hfpD-2whlA:
undetectable
4hfpD-2whlA:
21.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zec TRYPTASE BETA 2

(Homo sapiens)
PF00089
(Trypsin)
5 HIS A  59
ASP A 203
VAL A 227
TRP A 229
GLY A 240
None
11N  A   1 (-2.6A)
None
None
11N  A   1 (-3.6A)
0.37A 4hfpD-2zecA:
33.1
4hfpD-2zecA:
35.32
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.
3a75 GAMMA-GLUTAMYLTRANSP
EPTIDASE LARGE CHAIN


(Bacillus
subtilis)
PF01019
(G_glu_transpept)
5 LEU A  64
ALA A 157
ALA A  74
VAL A  75
GLY A 162
None
1.12A 4hfpD-3a75A:
undetectable
4hfpD-3a75A:
19.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3beu TRYPSIN

(Streptomyces
griseus)
PF00089
(Trypsin)
5 HIS A  57
ASP A 189
VAL A 213
TRP A 215
GLY A 226
SO4  A 246 ( 3.8A)
BEN  A 247 (-3.0A)
None
None
BEN  A 247 (-3.5A)
0.22A 4hfpD-3beuA:
31.3
4hfpD-3beuA:
33.72
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.
3bkn BACTERIOFERRITIN

(Mycolicibacterium
smegmatis)
PF00210
(Ferritin)
5 HIS A  28
TRP A  35
LEU A  27
GLU A  85
ALA A  89
None
1.16A 4hfpD-3bknA:
undetectable
4hfpD-3bknA:
24.18
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.
3c4q PREDICTED
GLYCOSYLTRANSFERASES


(Corynebacterium
glutamicum)
PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4)
5 ILE A 261
ALA A 322
GLU A 316
ALA A 334
VAL A 332
None
None
UDP  A 600 (-3.2A)
None
None
1.09A 4hfpD-3c4qA:
undetectable
4hfpD-3c4qA:
20.28
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.
3dme CONSERVED EXPORTED
PROTEIN


(Bordetella
pertussis)
PF01266
(DAO)
5 LEU A 201
ALA A  12
ALA A  33
VAL A  32
GLY A  16
None
None
None
None
FAD  A 500 (-4.6A)
0.88A 4hfpD-3dmeA:
undetectable
4hfpD-3dmeA:
21.58
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.
3dmy PROTEIN FDRA

(Escherichia
coli)
PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
5 LEU A 120
ILE A 224
ALA A 528
GLU A 524
GLY A 182
None
1.14A 4hfpD-3dmyA:
undetectable
4hfpD-3dmyA:
18.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3f6u VITAMIN K-DEPENDENT
PROTEIN C HEAVY
CHAIN


(Homo sapiens)
PF00089
(Trypsin)
6 ASP H 189
ALA H 190
GLU H 192
VAL H 213
TRP H 215
GLY H 226
0G6  H   1 (-2.8A)
0G6  H   1 (-3.4A)
0G6  H   1 ( 4.0A)
None
0G6  H   1 (-4.1A)
0G6  H   1 ( 3.9A)
0.74A 4hfpD-3f6uH:
35.4
4hfpD-3f6uH:
39.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3f6u VITAMIN K-DEPENDENT
PROTEIN C HEAVY
CHAIN


(Homo sapiens)
PF00089
(Trypsin)
6 HIS H  57
ASP H 189
ALA H 190
VAL H 213
TRP H 215
GLY H 226
0G6  H   1 (-3.2A)
0G6  H   1 (-2.8A)
0G6  H   1 (-3.4A)
None
0G6  H   1 (-4.1A)
0G6  H   1 ( 3.9A)
0.38A 4hfpD-3f6uH:
35.4
4hfpD-3f6uH:
39.85
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.
3fcp L-ALA-D/L-GLU
EPIMERASE, A
MUCONATE LACTONIZING
ENZYME


(Klebsiella
pneumoniae)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 LEU A  35
ASP A 115
ALA A 112
ALA A 108
VAL A  38
None
1.15A 4hfpD-3fcpA:
undetectable
4hfpD-3fcpA:
20.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gov MASP-1

(Homo sapiens)
PF00089
(Trypsin)
6 HIS B 490
ASP B 640
ALA B 641
VAL B 666
TRP B 668
GLY B 679
None
0.30A 4hfpD-3govB:
36.2
4hfpD-3govB:
36.20
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.
3gvy BACTERIOFERRITIN

(Rhodobacter
sphaeroides)
PF00210
(Ferritin)
5 HIS A  28
TRP A  35
LEU A  27
GLU A  85
ALA A  89
None
0.97A 4hfpD-3gvyA:
undetectable
4hfpD-3gvyA:
21.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gym PROSTASIN

(Homo sapiens)
PF00089
(Trypsin)
6 HIS A  57
ASP A 189
ALA A 190
VAL A 213
TRP A 215
GLY A 226
None
0.40A 4hfpD-3gymA:
33.8
4hfpD-3gymA:
36.20
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.
3h7a SHORT CHAIN
DEHYDROGENASE


(Rhodopseudomonas
palustris)
PF00106
(adh_short)
5 ASP A  62
ALA A  63
GLU A 110
ALA A 112
VAL A  89
ASP  A  62 ( 0.6A)
ALA  A  63 ( 0.0A)
GLU  A 110 ( 0.6A)
ALA  A 112 ( 0.0A)
VAL  A  89 ( 0.6A)
1.01A 4hfpD-3h7aA:
undetectable
4hfpD-3h7aA:
20.07
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.
3hwr 2-DEHYDROPANTOATE
2-REDUCTASE


(Cupriavidus
pinatubonensis)
PF02558
(ApbA)
PF08546
(ApbA_C)
5 LEU A  70
ILE A   5
ALA A 107
ALA A 119
VAL A 118
None
0.99A 4hfpD-3hwrA:
undetectable
4hfpD-3hwrA:
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.
3icc PUTATIVE
3-OXOACYL-(ACYL
CARRIER PROTEIN)
REDUCTASE


(Bacillus
anthracis)
PF13561
(adh_short_C2)
5 TYR A  73
ILE A 140
ALA A  21
ALA A  32
VAL A  31
TYR  A  73 ( 1.3A)
ILE  A 140 ( 0.7A)
ALA  A  21 ( 0.0A)
ALA  A  32 ( 0.0A)
VAL  A  31 ( 0.6A)
1.05A 4hfpD-3iccA:
undetectable
4hfpD-3iccA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jug BETA-MANNANASE

(Bacillus sp.
N16-5)
PF00150
(Cellulase)
5 TRP A 282
ASP A  88
GLU A 117
ALA A  61
GLY A  90
None
1.02A 4hfpD-3jugA:
undetectable
4hfpD-3jugA:
20.40
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.
3kx6 FRUCTOSE-BISPHOSPHAT
E ALDOLASE


(Babesia bovis)
PF00274
(Glycolytic)
5 LEU A 221
GLU A  15
ALA A  17
VAL A 182
GLY A 180
PEG  A 401 ( 4.6A)
None
None
None
None
1.05A 4hfpD-3kx6A:
undetectable
4hfpD-3kx6A:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kzz SNAP-TAG

(Homo sapiens)
PF01035
(DNA_binding_1)
PF02870
(Methyltransf_1N)
5 LEU A 168
GLU A 159
ALA A 145
VAL A 148
GLY A 156
None
OBG  A 181 (-3.7A)
OBG  A 181 (-3.4A)
OBG  A 181 (-4.3A)
None
1.14A 4hfpD-3kzzA:
undetectable
4hfpD-3kzzA:
23.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nxp PRETHROMBIN-1

(Homo sapiens)
PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light)
7 HIS A 457
TYR A 460
TRP A 460
LEU A 499
ILE A 574
VAL A 613
GLY A 626
None
0.73A 4hfpD-3nxpA:
29.6
4hfpD-3nxpA:
99.61
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.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I


(Rhodobacter
sphaeroides)
PF00115
(COX1)
5 TRP A 439
LEU A  34
ILE A 515
ALA A 428
VAL A 111
None
DMU  A   7 (-4.3A)
DMU  A   7 ( 4.4A)
None
HEA  A   1 (-4.5A)
1.05A 4hfpD-3omnA:
undetectable
4hfpD-3omnA:
17.21
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.
3ppc 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE


(Candida
albicans)
PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1)
6 HIS A 667
LEU A 671
ILE A 654
ALA A 589
ALA A 637
GLY A 593
None
1.31A 4hfpD-3ppcA:
undetectable
4hfpD-3ppcA:
17.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3r3g THROMBIN HEAVY CHAIN

(Homo sapiens)
PF00089
(Trypsin)
9 HIS B  57
TYR B  60
LEU B  99
ILE B 174
ALA B 190
GLU B 192
VAL B 213
TRP B 215
GLY B 226
None
0.80A 4hfpD-3r3gB:
43.1
4hfpD-3r3gB:
97.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3r3g THROMBIN HEAVY CHAIN

(Homo sapiens)
PF00089
(Trypsin)
10 HIS B  57
TYR B  60
TRP B  60
LEU B  99
ILE B 174
ASP B 189
ALA B 190
VAL B 213
TRP B 215
GLY B 226
None
0.57A 4hfpD-3r3gB:
43.1
4hfpD-3r3gB:
97.30
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.
3tx8 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE


(Corynebacterium
glutamicum)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
5 LEU A  22
ILE A 356
ALA A  75
ALA A 132
GLY A 164
None
0.93A 4hfpD-3tx8A:
undetectable
4hfpD-3tx8A:
20.26
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.
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING


(Desulfovibrio
vulgaris)
PF00374
(NiFeSe_Hases)
5 ILE B 104
ASP B  91
ALA B  96
VAL B 404
GLY B 193
None
1.14A 4hfpD-3ze7B:
undetectable
4hfpD-3ze7B:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bxw FACTOR XA

(Pseudonaja
textilis)
PF00089
(Trypsin)
PF14670
(FXa_inhibition)
5 HIS A 211
ASP A 356
ALA A 357
VAL A 380
GLY A 393
0GJ  A1411 (-2.8A)
0GJ  A1411 (-2.7A)
0GJ  A1411 (-3.4A)
None
0GJ  A1411 (-3.3A)
0.27A 4hfpD-4bxwA:
33.1
4hfpD-4bxwA:
25.00
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.
4dmm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE


(Synechococcus
elongatus)
PF13561
(adh_short_C2)
5 LEU A  87
ILE A 140
ALA A  25
ALA A  36
VAL A  35
None
1.12A 4hfpD-4dmmA:
undetectable
4hfpD-4dmmA:
20.34
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.
4ej6 PUTATIVE
ZINC-BINDING
DEHYDROGENASE


(Sinorhizobium
meliloti)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 LEU A  43
ILE A 324
GLU A 143
ALA A 107
GLY A 115
None
1.14A 4hfpD-4ej6A:
undetectable
4hfpD-4ej6A:
19.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fxg MANNAN-BINDING
LECTIN SERINE
PROTEASE 2 B CHAIN


(Homo sapiens)
PF00089
(Trypsin)
6 HIS H 483
ASP H 627
ALA H 633
VAL H 653
TRP H 655
GLY H 667
None
0.54A 4hfpD-4fxgH:
35.0
4hfpD-4fxgH:
35.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hzh PROTHROMBIN

(Homo sapiens)
PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light)
6 HIS A 363
TYR A 367
LEU A 416
ILE A 499
VAL A 545
GLY A 558
None
0.86A 4hfpD-4hzhA:
29.9
4hfpD-4hzhA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hzh PROTHROMBIN

(Homo sapiens)
PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light)
7 HIS A 363
TYR A 367
TRP A 370
LEU A 416
ALA A 525
VAL A 545
GLY A 558
None
0.79A 4hfpD-4hzhA:
29.9
4hfpD-4hzhA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ilk STARVATION SENSING
PROTEIN RSPB


(Escherichia
coli)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 LEU A 165
ILE A 241
ALA A 207
VAL A 177
GLY A 173
None
NAI  A 401 ( 4.8A)
None
None
None
1.14A 4hfpD-4ilkA:
undetectable
4hfpD-4ilkA:
21.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iw4 MANNAN-BINDING
LECTIN SERINE
PROTEASE 3


(Homo sapiens)
PF00089
(Trypsin)
5 HIS E 478
ASP E 639
VAL E 665
TRP E 667
GLY E 680
None
0.59A 4hfpD-4iw4E:
32.9
4hfpD-4iw4E:
34.83
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.
4j9t DESIGNED UNNATURAL
AMINO ACID DEPENDENT
METALLOPROTEIN


(Micromonospora
viridifaciens)
PF13088
(BNR_2)
5 TRP A 357
LEU A 401
ALA A 375
ALA A 317
GLY A 382
None
1.06A 4hfpD-4j9tA:
undetectable
4hfpD-4j9tA:
21.58
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.
4kem MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME


(Azospirillum
lipoferum)
PF13378
(MR_MLE_C)
5 LEU A 387
ILE A   6
ALA A  57
ALA A  11
GLY A  59
None
1.03A 4hfpD-4kemA:
undetectable
4hfpD-4kemA:
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.
4n2x DL-2-HALOACID
DEHALOGENASE


(Methylobacterium
sp. CPA1)
PF10778
(DehI)
5 ILE A 152
ALA A 233
ALA A 126
VAL A 237
GLY A  71
None
0.91A 4hfpD-4n2xA:
undetectable
4hfpD-4n2xA:
24.24
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.
4oso REDUCTASE HOMOLOG

(Streptomyces
cyanogenus)
PF13561
(adh_short_C2)
5 LEU A  91
ILE A 142
ALA A  23
ALA A  34
VAL A  33
None
1.11A 4hfpD-4osoA:
undetectable
4hfpD-4osoA:
19.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN


(Homo sapiens)
PF00089
(Trypsin)
5 HIS A  57
ASP A 189
VAL A 213
TRP A 215
GLY A 226
3KM  A 900 ( 4.4A)
3KM  A 900 (-2.9A)
None
None
3KM  A 900 (-3.2A)
0.36A 4hfpD-4r0iA:
36.0
4hfpD-4r0iA:
35.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wwy TRYPSIN-1

(Homo sapiens)
PF00089
(Trypsin)
6 HIS A  57
LEU A  99
ASP A 189
VAL A 213
TRP A 215
GLY A 226
None
0.62A 4hfpD-4wwyA:
33.8
4hfpD-4wwyA:
36.05
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.
4wyr ACETYL-COA
ACETYLTRANSFERASE


(Clostridium
acetobutylicum)
PF00108
(Thiolase_N)
PF02803
(Thiolase_C)
5 LEU A 389
ALA A 254
ALA A   9
VAL A 359
GLY A 354
None
1.03A 4hfpD-4wyrA:
undetectable
4hfpD-4wyrA:
20.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ylq COAGULATION FACTOR
VII


(Homo sapiens)
PF00089
(Trypsin)
5 HIS H  57
ASP H 189
VAL H 213
TRP H 215
GLY H 226
0Z7  H 501 (-2.6A)
0Z7  H 501 (-2.3A)
0Z7  H 501 ( 4.7A)
TMA  H 508 ( 3.9A)
0Z7  H 501 (-3.0A)
0.26A 4hfpD-4ylqH:
34.4
4hfpD-4ylqH:
35.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5brr TISSUE-TYPE
PLASMINOGEN
ACTIVATOR


(Homo sapiens)
PF00089
(Trypsin)
6 HIS E  57
ASP E 189
ALA E 190
ALA E 195
TRP E 215
GLY E 226
None
0.46A 4hfpD-5brrE:
34.9
4hfpD-5brrE:
32.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8z PLASMA KALLIKREIN
LIGHT CHAIN


(Homo sapiens)
PF00089
(Trypsin)
5 HIS A  57
ASP A 189
ALA A 190
TRP A 215
GLY A 226
None
0.22A 4hfpD-5f8zA:
34.6
4hfpD-5f8zA:
39.33
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.
5gl6 RIBOSOME MATURATION
FACTOR RIMP


(Mycolicibacterium
smegmatis)
PF02576
(DUF150)
PF17384
(DUF150_C)
5 LEU A 121
ILE A 153
ALA A 144
VAL A 136
GLY A 126
None
1.16A 4hfpD-5gl6A:
undetectable
4hfpD-5gl6A:
19.17
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.
5m60 BETA-1,3-GLUCANASE

(Chaetomium
thermophilum)
PF12708
(Pectate_lyase_3)
5 TYR A 591
LEU A 586
ALA A 643
VAL A 646
GLY A 621
None
0.94A 4hfpD-5m60A:
undetectable
4hfpD-5m60A:
15.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o32 COMPLEMENT FACTOR I

(Homo sapiens)
PF00089
(Trypsin)
5 ASP I 519
ALA I 520
VAL I 544
TRP I 546
GLY I 557
None
0.83A 4hfpD-5o32I:
31.2
4hfpD-5o32I:
32.73
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2


(Synechocystis
sp. PCC 6803)
no annotation 5 LEU b 476
ASP b 272
ALA b 488
TRP b 494
GLY b 259
CLA  b1836 (-4.3A)
None
CLA  b1837 ( 4.1A)
CLA  b1836 ( 4.1A)
CLA  b1820 ( 4.0A)
1.14A 4hfpD-5oy0b:
undetectable
4hfpD-5oy0b:
12.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5to3 PROTHROMBIN,THROMBOM
ODULIN


(Homo sapiens)
PF00089
(Trypsin)
PF09064
(Tme5_EGF_like)
8 HIS B  58
TYR B  62
LEU B 111
ILE B 194
ASP B 214
ALA B 215
VAL B 240
GLY B 253
0G6  B 501 (-2.5A)
0G6  B 501 (-3.7A)
0G6  B 501 ( 3.8A)
None
0G6  B 501 (-2.9A)
0G6  B 501 (-3.4A)
None
0G6  B 501 (-3.6A)
0.40A 4hfpD-5to3B:
44.4
4hfpD-5to3B:
88.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5to3 PROTHROMBIN,THROMBOM
ODULIN


(Homo sapiens)
PF00089
(Trypsin)
PF09064
(Tme5_EGF_like)
6 TYR B  62
LEU B 111
ILE B 194
ALA B 215
GLU B 217
VAL B 240
0G6  B 501 (-3.7A)
0G6  B 501 ( 3.8A)
None
0G6  B 501 (-3.4A)
0G6  B 501 (-3.8A)
None
1.37A 4hfpD-5to3B:
44.4
4hfpD-5to3B:
88.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5to3 PROTHROMBIN,THROMBOM
ODULIN


(Homo sapiens)
PF00089
(Trypsin)
PF09064
(Tme5_EGF_like)
8 TYR B  62
TRP B  65
LEU B 111
ILE B 194
ASP B 214
ALA B 215
VAL B 240
GLY B 253
0G6  B 501 (-3.7A)
0G6  B 501 (-4.8A)
0G6  B 501 ( 3.8A)
None
0G6  B 501 (-2.9A)
0G6  B 501 (-3.4A)
None
0G6  B 501 (-3.6A)
0.52A 4hfpD-5to3B:
44.4
4hfpD-5to3B:
88.28
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.
5u63 THIOREDOXIN
REDUCTASE


(Haemophilus
influenzae)
PF07992
(Pyr_redox_2)
5 TYR A 192
LEU A 202
ALA A 242
ALA A 162
VAL A 151
None
0.95A 4hfpD-5u63A:
undetectable
4hfpD-5u63A:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ubm COMPLEMENT C1S
SUBCOMPONENT


(Homo sapiens)
no annotation 5 HIS A 475
ASP A 626
VAL A 653
TRP A 655
GLY A 663
None
0.48A 4hfpD-5ubmA:
31.7
4hfpD-5ubmA:
35.16
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.
5uff RBC36

(Petromyzon
marinus)
no annotation 5 LEU A 170
ILE A 140
ALA A 215
ALA A 201
VAL A 194
None
1.15A 4hfpD-5uffA:
undetectable
4hfpD-5uffA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ysm CYTOCHROME P450

(Amycolatopsis
mediterranei)
no annotation 5 TRP A 342
GLU A  63
ALA A  65
VAL A  59
GLY A  43
None
1.16A 4hfpD-5ysmA:
undetectable
4hfpD-5ysmA:
14.23
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.
6b74 COAGULATION FACTOR
XII


(Homo sapiens)
no annotation 5 HIS B  57
ASP B 189
ALA B 190
TRP B 215
GLY B 226
SO4  B 304 (-3.8A)
BEN  B 301 (-2.7A)
BEN  B 301 (-4.1A)
None
BEN  B 301 (-3.1A)
0.44A 4hfpD-6b74B:
34.3
4hfpD-6b74B:
16.87