SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '225'


List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1BKF_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 1pbk FKBP25
(Homo
sapiens) 		7 / 9 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
None
 0.30A 1bkfA-1pbkA:
19.1		 1bkfA-1pbkA:
44.17
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.
1C8L_A_CFFA940_1
(PROTEIN (GLYCOGEN
PHOSPHORYLASE))		 2cb9 FENGYCIN SYNTHETASE
(Bacillus
subtilis) 		4 / 6 HIS A 201
ALA A 112
GLY A  82
TYR A  83
 ACY  A1225 (-3.9A)
None
None
None
 1.08A 1c8lA-2cb9A:
6.0		 1c8lA-2cb9A:
15.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C9H_A_RAPA108_1
(FKBP12.6)		 1pbk FKBP25
(Homo
sapiens) 		7 / 12 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.41A 1c9hA-1pbkA:
18.8		 1c9hA-1pbkA:
42.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7W_A_MTXA301_1
(PTERIDINE REDUCTASE)		 2rha TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY
(Novosphingobium
aromaticivorans) 		5 / 12 SER A 175
LEU A 114
LEU A  67
ASP A  70
MET A  71
 GOL  A 225 (-3.9A)
None
None
None
None
 1.43A 1e7wA-2rhaA:
undetectable		 1e7wA-2rhaA:
20.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FAP_A_RAPA108_1
(FK506-BINDING
PROTEIN)		 1pbk FKBP25
(Homo
sapiens) 		8 / 12 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.32A 1fapA-1pbkA:
19.6		 1fapA-1pbkA:
43.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FKB_A_RAPA108_1
(FK506 BINDING
PROTEIN)		 1pbk FKBP25
(Homo
sapiens) 		7 / 12 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
None
 0.29A 1fkbA-1pbkA:
19.6		 1fkbA-1pbkA:
43.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FKF_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 1pbk FKBP25
(Homo
sapiens) 		8 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.37A 1fkfA-1pbkA:
19.3		 1fkfA-1pbkA:
43.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FKJ_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 1pbk FKBP25
(Homo
sapiens) 		6 / 11 PHE A 164
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 None
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 1.40A 1fkjA-1pbkA:
19.3		 1fkjA-1pbkA:
43.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FKJ_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 1pbk FKBP25
(Homo
sapiens) 		8 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.38A 1fkjA-1pbkA:
19.3		 1fkjA-1pbkA:
43.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FKL_A_RAPA108_1
(FK506 BINDING
PROTEIN)		 1pbk FKBP25
(Homo
sapiens) 		8 / 12 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.31A 1fklA-1pbkA:
19.6		 1fklA-1pbkA:
44.17
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.
1GFZ_A_CFFA940_1
(GLYCOGEN
PHOSPHORYLASE)		 2cb9 FENGYCIN SYNTHETASE
(Bacillus
subtilis) 		4 / 6 HIS A 201
ALA A 112
GLY A  82
TYR A  83
 ACY  A1225 (-3.9A)
None
None
None
 1.09A 1gfzA-2cb9A:
6.0		 1gfzA-2cb9A:
15.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		 2pnn TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 1
(Rattus
norvegicus) 		5 / 11 ALA A 180
LEU A 186
LEU A 177
LEU A 219
ALA A 225
 ALA  A 180 ( 0.0A)
LEU  A 186 ( 0.5A)
LEU  A 177 ( 0.6A)
LEU  A 219 ( 0.6A)
ALA  A 225 ( 0.0A)
 1.12A 1h9zA-2pnnA:
undetectable		 1h9zA-2pnnA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HK2_A_T44A3002_1
(SERUM ALBUMIN)		 3pju CYCLIC DIMERIC GMP
BINDING PROTEIN
(Pseudomonas
fluorescens) 		4 / 8 GLN A 536
ASN A 499
LEU A 500
LEU A 448
 None
C2E  A2256 (-3.2A)
None
C2E  A2256 (-3.8A)
 1.18A 1hk2A-3pjuA:
undetectable		 1hk2A-3pjuA:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWI_C_115C4_1
(HMG-COA REDUCTASE)		 1vho ENDOGLUCANASE
(Thermotoga
maritima) 		4 / 7 VAL A 177
SER A 174
ASN A 171
ASP A 225
 VAL  A 177 ( 0.6A)
SER  A 174 ( 0.0A)
ASN  A 171 ( 0.6A)
ASP  A 225 ( 0.6A)
 1.29A 1hwiC-1vhoA:
undetectable		 1hwiC-1vhoA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWI_D_115D3_2
(HMG-COA REDUCTASE)		 1vho ENDOGLUCANASE
(Thermotoga
maritima) 		4 / 7 VAL A 177
SER A 174
ASN A 171
ASP A 225
 VAL  A 177 ( 0.6A)
SER  A 174 ( 0.0A)
ASN  A 171 ( 0.6A)
ASP  A 225 ( 0.6A)
 1.29A 1hwiD-1vhoA:
undetectable		 1hwiD-1vhoA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MX8_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN I, HOLO)		 3gzi TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY
(Shewanella
loihica) 		5 / 12 PHE A  64
LEU A  63
ALA A  25
LEU A  28
ILE A  39
 EDO  A 226 ( 4.7A)
None
None
None
EDO  A 225 (-3.4A)
 1.14A 1mx8A-3gziA:
undetectable		 1mx8A-3gziA:
20.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1NCW_H_BEZH601_0
(IMMUNOGLOBULIN IGG2A)		 5gru DIABODY PROTEIN
DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		5 / 9 ASN L  36
TRP L  48
TYR L  51
GLY L 102
GLY H 225
 ASN  L  36 ( 0.6A)
TRP  L  48 ( 0.5A)
TYR  L  51 ( 1.3A)
GLY  L 102 ( 0.0A)
GLY  H 225 ( 0.0A)
 1.07A 1ncwH-5gruL:
23.2
1ncwL-5gruL:
15.0		 1ncwH-5gruL:
52.94
1ncwL-5gruL:
25.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NR6_A_DIFA501_1
(CYTOCHROME P450 2C5)		 3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE
(Citrus
x
microcarpa) 		5 / 9 ALA A 174
GLY A 225
ALA A  17
LEU A 384
LEU A 171
 ALA  A 174 ( 0.0A)
GLY  A 225 ( 0.0A)
ALA  A  17 ( 0.0A)
LEU  A 384 ( 0.6A)
LEU  A 171 ( 0.5A)
 1.17A 1nr6A-3wd7A:
undetectable		 1nr6A-3wd7A:
21.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		5 / 12 ARG A  97
LEU A 208
ASN A 217
THR A 364
PRO A 367
 HEM  A 500 (-2.6A)
225  A 501 ( 4.3A)
None
None
225  A 501 ( 4.7A)
 0.92A 1og5A-2nnjA:
55.0		 1og5A-2nnjA:
78.99
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.
1P2Y_A_NCTA440_1
(CYTOCHROME P450-CAM)		 2qvs CAMP-DEPENDENT
PROTEIN KINASE TYPE
II-ALPHA REGULATORY
SUBUNIT
(Mus
musculus) 		4 / 7 LEU B 225
VAL B 156
GLY B 223
ILE B 218
 LEU  B 225 ( 0.6A)
VAL  B 156 ( 0.6A)
GLY  B 223 ( 0.0A)
ILE  B 218 ( 0.7A)
 0.81A 1p2yA-2qvsB:
undetectable		 1p2yA-2qvsB:
19.73
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.
1Q6I_A_FK5A301_1
(FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA)		 1pbk FKBP25
(Homo
sapiens) 		9 / 9 TYR A 135
ASP A 146
LEU A 162
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-4.8A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.60A 1q6iA-1pbkA:
15.7		 1q6iA-1pbkA:
25.65
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.
1Q6I_B_FK5B401_1
(FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA)		 1pbk FKBP25
(Homo
sapiens) 		8 / 10 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.36A 1q6iB-1pbkA:
15.4		 1q6iB-1pbkA:
25.65
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.
1Q8J_B_C2FB802_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 3l0s ADENYLATE KINASE
(Desulfovibrio
gigas) 		5 / 12 GLY A  33
SER A  11
ILE A 112
GLY A  17
ILE A   5
 None
TAR  A 225 (-3.3A)
None
None
None
 1.05A 1q8jB-3l0sA:
undetectable		 1q8jB-3l0sA:
17.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1R9O_A_FLPA501_1
(CYTOCHROME P450 2C9)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		6 / 12 ASN A 204
LEU A 208
VAL A 237
ASP A 293
ALA A 297
THR A 301
 None
225  A 501 ( 4.3A)
None
None
HEM  A 500 (-3.5A)
HEM  A 500 ( 3.7A)
 0.55A 1r9oA-2nnjA:
54.0		 1r9oA-2nnjA:
78.62
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.
1RJO_A_CUA701_0
(PHENYLETHYLAMINE
OXIDASE)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A 113
HIS A  98
HIS A  96
 ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
CU  A 225 (-3.2A)
 0.49A 1rjoA-2jlpA:
undetectable		 1rjoA-2jlpA:
16.01
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.
1RKY_A_CUA801_0
(LYSYL OXIDASE)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A 113
HIS A  98
HIS A  96
 ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
CU  A 225 (-3.2A)
 0.53A 1rkyA-2jlpA:
undetectable		 1rkyA-2jlpA:
16.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RUA_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 5gru DIABODY PROTEIN
DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		5 / 10 ASN L  36
TRP L  48
TYR L  51
GLY L 102
GLY H 225
 ASN  L  36 ( 0.6A)
TRP  L  48 ( 0.5A)
TYR  L  51 ( 1.3A)
GLY  L 102 ( 0.0A)
GLY  H 225 ( 0.0A)
 1.09A 1ruaH-5gruL:
23.5
1ruaL-5gruL:
20.5		 1ruaH-5gruL:
52.94
1ruaL-5gruL:
25.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RUL_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 5gru DIABODY PROTEIN
DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		5 / 9 ASN L  36
TRP L  48
TYR L  51
GLY L 102
GLY H 225
 ASN  L  36 ( 0.6A)
TRP  L  48 ( 0.5A)
TYR  L  51 ( 1.3A)
GLY  L 102 ( 0.0A)
GLY  H 225 ( 0.0A)
 1.11A 1rulH-5gruL:
23.1
1rulL-5gruL:
15.0		 1rulH-5gruL:
52.94
1rulL-5gruL:
25.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RUM_H_BEZH1601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 5gru DIABODY PROTEIN
DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		5 / 9 ASN L  36
TRP L  48
TYR L  51
GLY L 102
GLY H 225
 ASN  L  36 ( 0.6A)
TRP  L  48 ( 0.5A)
TYR  L  51 ( 1.3A)
GLY  L 102 ( 0.0A)
GLY  H 225 ( 0.0A)
 1.06A 1rumH-5gruL:
23.0
1rumL-5gruL:
15.0		 1rumH-5gruL:
52.94
1rumL-5gruL:
25.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RUP_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 5gru DIABODY PROTEIN
DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		5 / 9 ASN L  36
TRP L  48
TYR L  51
GLY L 102
GLY H 225
 ASN  L  36 ( 0.6A)
TRP  L  48 ( 0.5A)
TYR  L  51 ( 1.3A)
GLY  L 102 ( 0.0A)
GLY  H 225 ( 0.0A)
 1.07A 1rupH-5gruL:
23.1
1rupL-5gruL:
15.1		 1rupH-5gruL:
52.94
1rupL-5gruL:
25.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TCO_C_FK5C509_2
(FK506-BINDING
PROTEIN)		 1pbk FKBP25
(Homo
sapiens) 		8 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.33A 1tcoC-1pbkA:
18.9		 1tcoC-1pbkA:
43.33
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.
1V54_A_CUA517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.54A 1v54A-2jlpA:
undetectable		 1v54A-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_N_CUN517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.54A 1v54N-2jlpA:
undetectable		 1v54N-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_A_CUA517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.55A 1v55A-2jlpA:
undetectable		 1v55A-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_N_CUN517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.57A 1v55N-2jlpA:
undetectable		 1v55N-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_P_CHDP4525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 7 LEU B 371
HIS B  89
TYR B 117
HIS B  67
 CLA  B1225 ( 4.4A)
CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
 1.18A 1v55C-4rkuB:
2.9
1v55N-4rkuB:
undetectable
1v55P-4rkuB:
2.9		 1v55C-4rkuB:
16.14
1v55N-4rkuB:
22.74
1v55P-4rkuB:
16.14
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.
1W2Z_A_CUA701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A 113
HIS A  98
HIS A  96
 ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
CU  A 225 (-3.2A)
 0.50A 1w2zA-2jlpA:
undetectable		 1w2zA-2jlpA:
15.87
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.
1W2Z_B_CUB701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A 113
HIS A  98
HIS A  96
 ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
CU  A 225 (-3.2A)
 0.46A 1w2zB-2jlpA:
undetectable		 1w2zB-2jlpA:
15.87
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.
1W2Z_C_CUC701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A 113
HIS A  98
HIS A  96
 ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
CU  A 225 (-3.2A)
 0.47A 1w2zC-2jlpA:
undetectable		 1w2zC-2jlpA:
15.87
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.
1W2Z_D_CUD701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A 113
HIS A  98
HIS A  96
 ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
CU  A 225 (-3.2A)
 0.47A 1w2zD-2jlpA:
undetectable		 1w2zD-2jlpA:
15.87
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.
1XDK_B_9CRB600_2
(RETINOIC ACID
RECEPTOR, BETA)		 3bpo INTERLEUKIN-13
RECEPTOR ALPHA-1
CHAIN
(Homo
sapiens) 		3 / 3 LEU C 258
PHE C 253
ARG C 225
 LEU  C 258 ( 0.5A)
PHE  C 253 ( 1.3A)
ARG  C 225 ( 0.6A)
 0.76A 1xdkB-3bpoC:
undetectable		 1xdkB-3bpoC:
19.94
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.
1XDK_F_9CRF1600_2
(RETINOIC ACID
RECEPTOR, BETA)		 3bpo INTERLEUKIN-13
RECEPTOR ALPHA-1
CHAIN
(Homo
sapiens) 		3 / 3 LEU C 258
PHE C 253
ARG C 225
 LEU  C 258 ( 0.5A)
PHE  C 253 ( 1.3A)
ARG  C 225 ( 0.6A)
 0.76A 1xdkF-3bpoC:
undetectable		 1xdkF-3bpoC:
19.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YAT_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 1pbk FKBP25
(Homo
sapiens) 		8 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.29A 1yatA-1pbkA:
19.4		 1yatA-1pbkA:
40.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZLQ_A_ACTA1502_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 3qqm MLR3007 PROTEIN
(Mesorhizobium
loti) 		4 / 5 TRP A  98
GLY A 208
ASN A 209
GLY A 213
 None
None
IOD  A 234 (-4.1A)
IOD  A 225 ( 3.9A)
 1.17A 1zlqA-3qqmA:
undetectable		 1zlqA-3qqmA:
20.37
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.
2BR4_D_SAMD301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3lm8 THIAMINE
PYROPHOSPHOKINASE
(Bacillus
subtilis) 		3 / 3 LYS A 119
ASP A  51
ASP A  83
 None
MG  A 225 (-3.8A)
None
 0.97A 2br4D-3lm8A:
undetectable		 2br4D-3lm8A:
18.80
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.
2DDW_B_PXLB1005_1
(PYRIDOXINE KINASE)		 1ted PKS18
(Mycobacterium
tuberculosis) 		4 / 7 LEU A  88
HIS A 221
GLY A 225
ASP A 226
 LEU  A  88 ( 0.6A)
HIS  A 221 (-1.0A)
GLY  A 225 ( 0.0A)
ASP  A 226 ( 0.6A)
 0.96A 2ddwB-1tedA:
undetectable		 2ddwB-1tedA:
23.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DG3_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		 1pbk FKBP25
(Homo
sapiens) 		7 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
None
 0.32A 2dg3A-1pbkA:
19.4		 2dg3A-1pbkA:
43.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DG4_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		 1pbk FKBP25
(Homo
sapiens) 		6 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TYR A 198
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-4.6A)
None
 0.33A 2dg4A-1pbkA:
18.8		 2dg4A-1pbkA:
42.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DG9_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		 1pbk FKBP25
(Homo
sapiens) 		6 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TYR A 198
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-4.6A)
None
 0.35A 2dg9A-1pbkA:
19.1		 2dg9A-1pbkA:
42.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.52A 2dyrA-2jlpA:
undetectable		 2dyrA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.54A 2dyrN-2jlpA:
undetectable		 2dyrN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYS_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.49A 2dysA-2jlpA:
undetectable		 2dysA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYS_N_CUN601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.47A 2dysN-2jlpA:
undetectable		 2dysN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.52A 2eijA-2jlpA:
undetectable		 2eijA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.55A 2eijN-2jlpA:
undetectable		 2eijN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIK_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.51A 2eikA-2jlpA:
undetectable		 2eikA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIK_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.56A 2eikN-2jlpA:
undetectable		 2eikN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.50A 2eilA-2jlpA:
undetectable		 2eilA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.54A 2eilN-2jlpA:
undetectable		 2eilN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.58A 2eimA-2jlpA:
undetectable		 2eimA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.54A 2eimN-2jlpA:
undetectable		 2eimN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.42A 2einA-2jlpA:
undetectable		 2einA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.54A 2einN-2jlpA:
undetectable		 2einN-2jlpA:
15.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2FKE_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 1pbk FKBP25
(Homo
sapiens) 		8 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.36A 2fkeA-1pbkA:
19.3		 2fkeA-1pbkA:
43.33
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.
2HS2_B_017B203_1
(PROTEASE)		 1pbk FKBP25
(Homo
sapiens) 		4 / 6 TRP A 196
LEU A 179
ARG A 173
GLY A 169
 None
None
None
RAP  A 225 (-3.8A)
 1.21A 2hs2B-1pbkA:
undetectable		 2hs2B-1pbkA:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNH_A_9CRA501_1
(CYTOCHROME P450 2C8)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		9 / 11 ARG A  97
SER A 100
ILE A 113
SER A 114
ALA A 297
THR A 301
VAL A 366
PRO A 367
ILE A 476
 HEM  A 500 (-2.6A)
None
225  A 501 ( 4.3A)
None
HEM  A 500 (-3.5A)
HEM  A 500 ( 3.7A)
225  A 501 ( 3.7A)
225  A 501 ( 4.7A)
225  A 501 ( 3.9A)
 0.70A 2nnhA-2nnjA:
62.3		 2nnhA-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNH_A_9CRA501_1
(CYTOCHROME P450 2C8)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		9 / 11 ARG A  97
SER A 100
SER A 103
ILE A 113
SER A 114
ALA A 297
THR A 301
VAL A 366
PRO A 367
 HEM  A 500 (-2.6A)
None
225  A 501 ( 4.0A)
225  A 501 ( 4.3A)
None
HEM  A 500 (-3.5A)
HEM  A 500 ( 3.7A)
225  A 501 ( 3.7A)
225  A 501 ( 4.7A)
 0.61A 2nnhA-2nnjA:
62.3		 2nnhA-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNH_A_9CRA501_1
(CYTOCHROME P450 2C8)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		6 / 11 GLY A  98
SER A 100
ILE A 113
SER A 114
ALA A 297
ILE A 476
 None
None
225  A 501 ( 4.3A)
None
HEM  A 500 (-3.5A)
225  A 501 ( 3.9A)
 0.91A 2nnhA-2nnjA:
62.3		 2nnhA-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNH_A_9CRA501_1
(CYTOCHROME P450 2C8)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		6 / 11 GLY A  98
SER A 100
SER A 103
ILE A 113
SER A 114
ALA A 297
 None
None
225  A 501 ( 4.0A)
225  A 501 ( 4.3A)
None
HEM  A 500 (-3.5A)
 0.89A 2nnhA-2nnjA:
62.3		 2nnhA-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNH_A_9CRA502_1
(CYTOCHROME P450 2C8)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		6 / 12 SER A 100
ASN A 209
ASN A 217
VAL A 237
VAL A 296
ILE A 476
 None
None
None
None
None
225  A 501 ( 3.9A)
 0.68A 2nnhA-2nnjA:
62.3		 2nnhA-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNH_A_9CRA502_1
(CYTOCHROME P450 2C8)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		9 / 12 SER A 100
ILE A 102
ILE A 106
ASN A 204
LEU A 208
ASN A 209
ASN A 217
VAL A 237
VAL A 296
 None
PLM  A 502 ( 4.1A)
PLM  A 502 (-4.6A)
None
225  A 501 ( 4.3A)
None
None
None
None
 0.59A 2nnhA-2nnjA:
62.3		 2nnhA-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNH_A_9CRA502_1
(CYTOCHROME P450 2C8)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		9 / 12 SER A 100
ILE A 102
SER A 103
ILE A 106
ASN A 204
ASN A 209
ASN A 217
VAL A 237
VAL A 296
 None
PLM  A 502 ( 4.1A)
225  A 501 ( 4.0A)
PLM  A 502 (-4.6A)
None
None
None
None
None
 0.64A 2nnhA-2nnjA:
62.3		 2nnhA-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNH_A_9CRA502_1
(CYTOCHROME P450 2C8)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		7 / 12 SER A 100
ILE A 102
SER A 103
ILE A 106
ASN A 217
VAL A 237
ARG A 241
 None
PLM  A 502 ( 4.1A)
225  A 501 ( 4.0A)
PLM  A 502 (-4.6A)
None
None
None
 1.49A 2nnhA-2nnjA:
62.3		 2nnhA-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNH_B_9CRB501_1
(CYTOCHROME P450 2C8)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		7 / 9 ARG A  97
GLY A  98
SER A 100
ILE A 113
THR A 301
ILE A 476
VAL A 477
 HEM  A 500 (-2.6A)
None
None
225  A 501 ( 4.3A)
HEM  A 500 ( 3.7A)
225  A 501 ( 3.9A)
None
 0.93A 2nnhB-2nnjA:
61.9		 2nnhB-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNH_B_9CRB501_1
(CYTOCHROME P450 2C8)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		8 / 9 ARG A  97
SER A 100
ILE A 113
THR A 301
VAL A 366
PRO A 367
ILE A 476
VAL A 477
 HEM  A 500 (-2.6A)
None
225  A 501 ( 4.3A)
HEM  A 500 ( 3.7A)
225  A 501 ( 3.7A)
225  A 501 ( 4.7A)
225  A 501 ( 3.9A)
None
 0.67A 2nnhB-2nnjA:
61.9		 2nnhB-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNH_B_9CRB501_1
(CYTOCHROME P450 2C8)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		6 / 9 ARG A  97
SER A 103
VAL A 366
PRO A 367
ILE A 476
VAL A 477
 HEM  A 500 (-2.6A)
225  A 501 ( 4.0A)
225  A 501 ( 3.7A)
225  A 501 ( 4.7A)
225  A 501 ( 3.9A)
None
 1.12A 2nnhB-2nnjA:
61.9		 2nnhB-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNH_B_9CRB502_1
(CYTOCHROME P450 2C8)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		7 / 10 SER A 100
ILE A 102
ASN A 204
ASN A 209
ASN A 217
VAL A 296
ILE A 476
 None
PLM  A 502 ( 4.1A)
None
None
None
None
225  A 501 ( 3.9A)
 0.64A 2nnhB-2nnjA:
61.9		 2nnhB-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNH_B_9CRB502_1
(CYTOCHROME P450 2C8)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		8 / 10 SER A 100
ILE A 102
ILE A 106
ASN A 204
LEU A 208
ASN A 209
ASN A 217
VAL A 296
 None
PLM  A 502 ( 4.1A)
PLM  A 502 (-4.6A)
None
225  A 501 ( 4.3A)
None
None
None
 0.60A 2nnhB-2nnjA:
61.9		 2nnhB-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		5 / 12 SER A 100
SER A 103
SER A 114
ASN A 217
ALA A 292
 None
225  A 501 ( 4.0A)
None
None
None
 1.31A 2nniA-2nnjA:
63.1		 2nniA-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		12 / 12 SER A 100
SER A 103
THR A 107
SER A 114
ASN A 204
ASN A 217
THR A 240
VAL A 296
ALA A 297
THR A 301
VAL A 366
VAL A 477
 None
225  A 501 ( 4.0A)
None
None
None
None
None
None
HEM  A 500 (-3.5A)
HEM  A 500 ( 3.7A)
225  A 501 ( 3.7A)
None
 0.40A 2nniA-2nnjA:
63.1		 2nniA-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		9 / 12 SER A 100
SER A 103
THR A 107
SER A 114
ASN A 217
VAL A 296
ALA A 297
THR A 301
VAL A 362
 None
225  A 501 ( 4.0A)
None
None
None
None
HEM  A 500 (-3.5A)
HEM  A 500 ( 3.7A)
HEM  A 500 ( 4.9A)
 1.45A 2nniA-2nnjA:
63.1		 2nniA-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		8 / 8 ILE A 102
ILE A 106
ILE A 113
ARG A 200
ILE A 213
ASN A 236
VAL A 237
ALA A 292
 PLM  A 502 ( 4.1A)
PLM  A 502 (-4.6A)
225  A 501 ( 4.3A)
None
None
None
None
None
 0.66A 2nniA-2nnjA:
63.1		 2nniA-2nnjA:
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.
2OQE_A_CUA801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A 113
HIS A  98
HIS A  96
 ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
CU  A 225 (-3.2A)
 0.42A 2oqeA-2jlpA:
undetectable		 2oqeA-2jlpA:
16.24
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.
2OQE_B_CUB801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A 113
HIS A  98
HIS A  96
 ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
CU  A 225 (-3.2A)
 0.41A 2oqeB-2jlpA:
undetectable		 2oqeB-2jlpA:
16.24
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.
2OQE_C_CUC801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A 113
HIS A  98
HIS A  96
 ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
CU  A 225 (-3.2A)
 0.43A 2oqeC-2jlpA:
undetectable		 2oqeC-2jlpA:
16.24
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.
2OQE_D_CUD801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A 113
HIS A  98
HIS A  96
 ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
CU  A 225 (-3.2A)
 0.42A 2oqeD-2jlpA:
undetectable		 2oqeD-2jlpA:
16.24
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.
2OQE_F_CUF801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A 113
HIS A  98
HIS A  96
 ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
CU  A 225 (-3.2A)
 0.42A 2oqeF-2jlpA:
undetectable		 2oqeF-2jlpA:
16.24
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.
2V0Z_O_C41O1327_2
(RENIN)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 8 TYR A 368
THR A 367
LEU A 225
THR A 351
 TYR  A 368 ( 1.3A)
THR  A 367 ( 0.8A)
LEU  A 225 ( 0.6A)
THR  A 351 ( 0.8A)
 1.09A 2v0zO-2ogsA:
undetectable		 2v0zO-2ogsA:
20.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VCD_A_RAPA138_1
(OUTER MEMBRANE
PROTEIN MIP)		 1pbk FKBP25
(Homo
sapiens) 		6 / 11 TYR A 135
PHE A 145
ASP A 146
VAL A 171
ILE A 172
TRP A 175
 RAP  A 225 (-3.9A)
RAP  A 225 (-4.6A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
 0.75A 2vcdA-1pbkA:
13.4		 2vcdA-1pbkA:
31.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VCD_A_RAPA138_1
(OUTER MEMBRANE
PROTEIN MIP)		 1pbk FKBP25
(Homo
sapiens) 		6 / 11 TYR A 135
PHE A 145
VAL A 171
ILE A 172
TRP A 175
TYR A 198
 RAP  A 225 (-3.9A)
RAP  A 225 (-4.6A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
 0.94A 2vcdA-1pbkA:
13.4		 2vcdA-1pbkA:
31.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VN0_A_TDZA501_1
(CYTOCHROME P450 2C8)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		11 / 12 ILE A 106
THR A 107
ASN A 204
PHE A 205
LEU A 208
ASN A 209
VAL A 237
VAL A 296
GLU A 300
THR A 301
ILE A 476
 PLM  A 502 (-4.6A)
None
None
None
225  A 501 ( 4.3A)
None
None
None
None
HEM  A 500 ( 3.7A)
225  A 501 ( 3.9A)
 0.60A 2vn0A-2nnjA:
63.3		 2vn0A-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VN1_A_FK5A501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		 1pbk FKBP25
(Homo
sapiens) 		8 / 11 TYR A 135
PHE A 145
ASP A 146
VAL A 171
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-4.6A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.36A 2vn1A-1pbkA:
18.1		 2vn1A-1pbkA:
35.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VN1_B_FK5B501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		 1pbk FKBP25
(Homo
sapiens) 		7 / 10 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
None
 0.28A 2vn1B-1pbkA:
18.1		 2vn1B-1pbkA:
35.82
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.
2W0Q_A_CUA801_0
(COPPER AMINE OXIDASE)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A 113
HIS A  98
HIS A  96
 ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
CU  A 225 (-3.2A)
 0.54A 2w0qA-2jlpA:
undetectable		 2w0qA-2jlpA:
15.23
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.
2W0Q_B_CUB801_0
(COPPER AMINE OXIDASE)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A 113
HIS A  98
HIS A  96
 ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
CU  A 225 (-3.2A)
 0.48A 2w0qB-2jlpA:
undetectable		 2w0qB-2jlpA:
15.23
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.
2W8Y_A_486A1000_2
(PROGESTERONE
RECEPTOR)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		4 / 7 LEU A 406
ASN A 410
LEU A 225
TYR A 426
 LEU  A 406 ( 0.6A)
ASN  A 410 ( 0.6A)
LEU  A 225 ( 0.6A)
TYR  A 426 ( 1.3A)
 1.23A 2w8yA-3ulkA:
undetectable		 2w8yA-3ulkA:
20.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WKO_A_CUA154_0
(SUPEROXIDE DISMUTASE
[CU-ZN])		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		4 / 4 HIS A  96
HIS A  98
HIS A 113
HIS A 163
 CU  A 225 (-3.2A)
CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.19A 2wkoA-2jlpA:
24.3		 2wkoA-2jlpA:
30.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WKO_F_CUF154_0
(SUPEROXIDE DISMUTASE
[CU-ZN])		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		5 / 5 HIS A  96
HIS A  98
HIS A 113
VAL A 161
HIS A 163
 CU  A 225 (-3.2A)
CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 ( 4.6A)
CU  A 225 (-3.2A)
 0.22A 2wkoF-2jlpA:
24.4		 2wkoF-2jlpA:
30.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.53A 2y69A-2jlpA:
undetectable		 2y69A-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_N_CHDN1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 LEU B 371
HIS B  89
TYR B 117
HIS B  67
 CLA  B1225 ( 4.4A)
CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
 1.17A 2y69C-4rkuB:
2.9
2y69N-4rkuB:
undetectable
2y69P-4rkuB:
2.9		 2y69C-4rkuB:
16.14
2y69N-4rkuB:
22.74
2y69P-4rkuB:
16.14
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.
2Y69_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.57A 2y69N-2jlpA:
undetectable		 2y69N-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7H_B_SAMB530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 2cb9 FENGYCIN SYNTHETASE
(Bacillus
subtilis) 		5 / 12 ILE A  30
GLY A  34
GLY A  32
ASN A  17
LEU A  44
 ACY  A1225 ( 4.7A)
None
None
None
None
 1.04A 2y7hB-2cb9A:
undetectable		 2y7hB-2cb9A:
18.84
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.
2Y7K_B_SALB1305_1
(LYSR-TYPE REGULATORY
PROTEIN)		 2hk0 D-PSICOSE
3-EPIMERASE
(Agrobacterium
tumefaciens) 		4 / 5 SER A 213
ARG A 216
GLY A 221
TRP A 225
 SER  A 213 ( 0.0A)
ARG  A 216 ( 0.6A)
GLY  A 221 ( 0.0A)
TRP  A 225 ( 0.5A)
 1.47A 2y7kB-2hk0A:
undetectable		 2y7kB-2hk0A:
19.81
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.
2Y7P_A_SALA1001_1
(LYSR-TYPE REGULATORY
PROTEIN)		 2hk0 D-PSICOSE
3-EPIMERASE
(Agrobacterium
tumefaciens) 		4 / 6 SER A 213
ARG A 216
GLY A 221
TRP A 225
 SER  A 213 ( 0.0A)
ARG  A 216 ( 0.6A)
GLY  A 221 ( 0.0A)
TRP  A 225 ( 0.5A)
 1.47A 2y7pA-2hk0A:
undetectable		 2y7pA-2hk0A:
19.81
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.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		 1saw HYPOTHETICAL PROTEIN
FLJ36880
(Homo
sapiens) 		4 / 8 ASP A 102
LYS A 123
GLY A 191
GLU A  73
 MG  A 225 (-3.2A)
MG  A 225 (-3.6A)
MG  A 225 ( 4.6A)
MG  A 225 (-2.7A)
 0.81A 2ys6A-1sawA:
undetectable		 2ys6A-1sawA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZVJ_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		 5nqf APICAL MEMBRANE
ANTIGEN 1
(Plasmodium
falciparum) 		5 / 12 ASN A 293
VAL A 294
MET A 224
ASN A 225
HIS A 220
 ASN  A 293 ( 0.6A)
VAL  A 294 ( 0.6A)
MET  A 224 ( 0.0A)
ASN  A 225 ( 0.6A)
HIS  A 220 ( 1.0A)
 1.49A 2zvjA-5nqfA:
undetectable		 2zvjA-5nqfA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZXW_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.52A 2zxwA-2jlpA:
undetectable		 2zxwA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZXW_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.54A 2zxwN-2jlpA:
undetectable		 2zxwN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABK_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.54A 3abkA-2jlpA:
undetectable		 3abkA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABK_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.53A 3abkN-2jlpA:
undetectable		 3abkN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABL_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.49A 3ablA-2jlpA:
undetectable		 3ablA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABL_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.48A 3ablN-2jlpA:
undetectable		 3ablN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABL_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 LEU B 371
HIS B  89
TYR B 117
HIS B  67
 CLA  B1225 ( 4.4A)
CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
 1.16A 3ablC-4rkuB:
2.9
3ablN-4rkuB:
undetectable
3ablP-4rkuB:
2.8		 3ablC-4rkuB:
16.14
3ablN-4rkuB:
22.74
3ablP-4rkuB:
16.14
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.
3ABM_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.54A 3abmA-2jlpA:
undetectable		 3abmA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABM_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.52A 3abmN-2jlpA:
undetectable		 3abmN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG1_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.58A 3ag1A-2jlpA:
undetectable		 3ag1A-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG1_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.60A 3ag1N-2jlpA:
undetectable		 3ag1N-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.52A 3ag2A-2jlpA:
undetectable		 3ag2A-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.54A 3ag2N-2jlpA:
undetectable		 3ag2N-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG3_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.55A 3ag3A-2jlpA:
undetectable		 3ag3A-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG3_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.54A 3ag3N-2jlpA:
undetectable		 3ag3N-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.68A 3ag4A-2jlpA:
undetectable		 3ag4A-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.66A 3ag4N-2jlpA:
undetectable		 3ag4N-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.53A 3asnA-2jlpA:
undetectable		 3asnA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.53A 3asnN-2jlpA:
undetectable		 3asnN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 LEU B 371
HIS B  89
TYR B 117
HIS B  67
 CLA  B1225 ( 4.4A)
CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
 1.14A 3asnC-4rkuB:
2.9
3asnN-4rkuB:
undetectable
3asnP-4rkuB:
3.0		 3asnC-4rkuB:
16.14
3asnN-4rkuB:
22.74
3asnP-4rkuB:
16.14
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.
3ASO_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.54A 3asoA-2jlpA:
undetectable		 3asoA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 HIS B  89
TYR B 117
HIS B  67
LEU B 371
 CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
CLA  B1225 ( 4.4A)
 1.15A 3asoA-4rkuB:
undetectable
3asoC-4rkuB:
2.9
3asoP-4rkuB:
2.9		 3asoA-4rkuB:
22.74
3asoC-4rkuB:
16.14
3asoP-4rkuB:
16.14
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.
3ASO_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.51A 3asoN-2jlpA:
undetectable		 3asoN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 LEU B 371
HIS B  89
TYR B 117
HIS B  67
 CLA  B1225 ( 4.4A)
CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
 1.16A 3asoC-4rkuB:
2.9
3asoN-4rkuB:
undetectable
3asoP-4rkuB:
2.9		 3asoC-4rkuB:
16.14
3asoN-4rkuB:
22.74
3asoP-4rkuB:
16.14
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.
3BVD_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.56A 3bvdA-2jlpA:
undetectable		 3bvdA-2jlpA:
17.16
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.
3DD1_B_CFFB903_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 2cb9 FENGYCIN SYNTHETASE
(Bacillus
subtilis) 		4 / 6 HIS A 201
ALA A 112
GLY A  82
TYR A  83
 ACY  A1225 (-3.9A)
None
None
None
 1.11A 3dd1B-2cb9A:
0.6		 3dd1B-2cb9A:
14.35
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.
3DTU_A_CUA1023_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.61A 3dtuA-2jlpA:
undetectable		 3dtuA-2jlpA:
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.
3DTU_C_CUC569_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.61A 3dtuC-2jlpA:
undetectable		 3dtuC-2jlpA:
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.
3GYQ_A_SAMA270_0
(RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE)		 3faw RETICULOCYTE BINDING
PROTEIN
(Streptococcus
agalactiae) 		5 / 12 LEU A 699
ALA A 712
LYS A 706
ILE A 714
SER A 568
 None
CL  A1225 (-3.5A)
None
None
None
 1.34A 3gyqA-3fawA:
undetectable
3gyqB-3fawA:
2.4		 3gyqA-3fawA:
17.76
3gyqB-3fawA:
17.76
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.
3HII_A_CUA801_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A 113
HIS A  98
HIS A  96
 ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
CU  A 225 (-3.2A)
 0.41A 3hiiA-2jlpA:
2.2		 3hiiA-2jlpA:
17.24
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.
3HII_B_CUB801_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A 113
HIS A  98
HIS A  96
 ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
CU  A 225 (-3.2A)
 0.42A 3hiiB-2jlpA:
2.2		 3hiiB-2jlpA:
17.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IHZ_A_FK5A501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)		 1pbk FKBP25
(Homo
sapiens) 		8 / 10 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.42A 3ihzA-1pbkA:
18.1		 3ihzA-1pbkA:
33.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IHZ_A_FK5A501_2
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)		 1pbk FKBP25
(Homo
sapiens) 		4 / 8 TYR A 135
TRP A 175
TYR A 198
ILE A 208
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
 0.49A 3ihzB-1pbkA:
18.2		 3ihzB-1pbkA:
33.08
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.
3IV6_A_SAMA301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 5gru DIABODY PROTEIN
DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		5 / 12 TRP L  48
GLY H 225
THR H 227
PHE L 103
ILE L 101
 TRP  L  48 ( 0.5A)
GLY  H 225 ( 0.0A)
THR  H 227 ( 0.8A)
PHE  L 103 ( 1.3A)
ILE  L 101 ( 0.7A)
 1.22A 3iv6A-5gruL:
undetectable		 3iv6A-5gruL:
21.32
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.
3IV6_B_SAMB301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 5gru DIABODY PROTEIN
DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		5 / 12 TRP L  48
GLY H 225
THR H 227
PHE L 103
ILE L 101
 TRP  L  48 ( 0.5A)
GLY  H 225 ( 0.0A)
THR  H 227 ( 0.8A)
PHE  L 103 ( 1.3A)
ILE  L 101 ( 0.7A)
 1.20A 3iv6B-5gruL:
undetectable		 3iv6B-5gruL:
21.32
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.
3IV6_C_SAMC301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 5gru DIABODY PROTEIN
DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		5 / 12 TRP L  48
GLY H 225
THR H 227
PHE L 103
ILE L 101
 TRP  L  48 ( 0.5A)
GLY  H 225 ( 0.0A)
THR  H 227 ( 0.8A)
PHE  L 103 ( 1.3A)
ILE  L 101 ( 0.7A)
 1.28A 3iv6C-5gruL:
undetectable		 3iv6C-5gruL:
21.32
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.
3IV6_D_SAMD301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 5gru DIABODY PROTEIN
DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		5 / 12 TRP L  48
GLY H 225
THR H 227
PHE L 103
ILE L 101
 TRP  L  48 ( 0.5A)
GLY  H 225 ( 0.0A)
THR  H 227 ( 0.8A)
PHE  L 103 ( 1.3A)
ILE  L 101 ( 0.7A)
 1.24A 3iv6D-5gruL:
undetectable		 3iv6D-5gruL:
21.32
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.
3K13_A_THHA642_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5vpr CYSTEINE DESULFURASE
(Elizabethkingia
anophelis) 		5 / 12 GLY A  92
VAL A  38
GLY A 281
ASN A 278
ILE A 285
 LLP  A 225 ( 3.8A)
None
None
None
None
 1.28A 3k13A-5vprA:
undetectable		 3k13A-5vprA:
24.07
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.
3K13_C_THHC643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5vpr CYSTEINE DESULFURASE
(Elizabethkingia
anophelis) 		5 / 12 GLY A  92
VAL A  38
GLY A 281
ASN A 278
ILE A 285
 LLP  A 225 ( 3.8A)
None
None
None
None
 1.28A 3k13C-5vprA:
undetectable		 3k13C-5vprA:
24.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3KZ7_A_RAPA225_1
(FK506-BINDING
PROTEIN 3)		 1pbk FKBP25
(Homo
sapiens) 		10 / 10 TYR A 135
ASP A 146
LEU A 162
LYS A 170
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-4.8A)
RAP  A 225 (-2.9A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.41A 3kz7A-1pbkA:
22.7		 3kz7A-1pbkA:
95.69
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.
3MBG_A_ACTA500_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 3b4r PUTATIVE ZINC
METALLOPROTEASE
MJ0392
(Methanocaldococc
us
jannaschii) 		4 / 4 ALA A  97
HIS A  58
HIS A  54
PRO A  99
 None
ZN  A 225 (-3.4A)
ZN  A 225 (-3.3A)
None
 1.48A 3mbgA-3b4rA:
1.4		 3mbgA-3b4rA:
17.33
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.
3MBG_C_ACTC900_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 3b4r PUTATIVE ZINC
METALLOPROTEASE
MJ0392
(Methanocaldococc
us
jannaschii) 		4 / 4 ALA A  97
HIS A  58
HIS A  54
PRO A  99
 None
ZN  A 225 (-3.4A)
ZN  A 225 (-3.3A)
None
 1.48A 3mbgC-3b4rA:
1.1		 3mbgC-3b4rA:
17.33
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.
3N0H_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 2qvs CAMP-DEPENDENT
PROTEIN KINASE TYPE
II-ALPHA REGULATORY
SUBUNIT
(Mus
musculus) 		5 / 11 ILE B 163
ALA B 215
PHE B 202
LEU B 225
VAL B 162
 ILE  B 163 ( 0.7A)
ALA  B 215 ( 0.0A)
PHE  B 202 ( 1.3A)
LEU  B 225 ( 0.6A)
VAL  B 162 ( 0.6A)
 1.15A 3n0hA-2qvsB:
undetectable		 3n0hA-2qvsB:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N23_A_OBNA1_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 2o2g DIENELACTONE
HYDROLASE
(Trichormus
variabilis) 		5 / 11 PRO A 108
ASP A 109
ASN A 107
VAL A  14
ALA A  13
 None
None
None
EDO  A 225 (-4.9A)
EDO  A 225 (-3.7A)
 1.41A 3n23A-2o2gA:
undetectable		 3n23A-2o2gA:
13.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N23_C_OBNC1_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 2o2g DIENELACTONE
HYDROLASE
(Trichormus
variabilis) 		5 / 11 PRO A 108
ASP A 109
ASN A 107
VAL A  14
ALA A  13
 None
None
None
EDO  A 225 (-4.9A)
EDO  A 225 (-3.7A)
 1.41A 3n23C-2o2gA:
3.8		 3n23C-2o2gA:
13.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU4_B_478B401_2
(PROTEASE)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		5 / 9 ALA A 436
ILE A 113
GLY A 298
ILE A 178
ILE A 112
 HEM  A 500 (-3.7A)
225  A 501 ( 4.3A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.1A)
 0.87A 3nu4B-2nnjA:
undetectable		 3nu4B-2nnjA:
13.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O5R_A_FK5A1001_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 1pbk FKBP25
(Homo
sapiens) 		8 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.30A 3o5rA-1pbkA:
18.3		 3o5rA-1pbkA:
37.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O5R_A_FK5A1001_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 1pbk FKBP25
(Homo
sapiens) 		8 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TYR A 198
LYS A 207
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-4.6A)
None
RAP  A 225 ( 4.9A)
None
 0.54A 3o5rA-1pbkA:
18.3		 3o5rA-1pbkA:
37.88
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 5vpr CYSTEINE DESULFURASE
(Elizabethkingia
anophelis) 		4 / 6 TYR A 385
GLN A  10
ILE A   7
SER A  32
 None
None
None
LLP  A 225 ( 3.3A)
 1.10A 3peoG-5vprA:
undetectable		 3peoG-5vprA:
20.20
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.
3RET_A_SALA201_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 3f65 CHAPERONE PROTEIN
FAEE
(Escherichia
coli) 		5 / 10 ARG A 112
ALA A 148
ARG A   8
TYR A 145
ILE A  10
 None
None
MPD  A 225 (-3.7A)
None
None
 1.30A 3retA-3f65A:
undetectable
3retB-3f65A:
undetectable		 3retA-3f65A:
19.00
3retB-3f65A:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RF4_A_FUNA201_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)		 3s1v PROBABLE
TRANSALDOLASE
(Thermoplasma
acidophilum) 		5 / 11 ARG A 176
ILE A 168
VAL A 165
VAL A 133
ILE A 180
 GOL  A 224 ( 3.9A)
None
None
None
GOL  A 225 (-4.7A)
 1.16A 3rf4A-3s1vA:
undetectable
3rf4C-3s1vA:
undetectable		 3rf4A-3s1vA:
19.63
3rf4C-3s1vA:
19.63
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.
3RF4_B_FUNB202_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)		 3s1v PROBABLE
TRANSALDOLASE
(Thermoplasma
acidophilum) 		5 / 11 ILE A 180
ARG A 176
ILE A 168
VAL A 165
VAL A 133
 GOL  A 225 (-4.7A)
GOL  A 224 ( 3.9A)
None
None
None
 1.16A 3rf4A-3s1vA:
undetectable
3rf4B-3s1vA:
undetectable		 3rf4A-3s1vA:
19.63
3rf4B-3s1vA:
19.63
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.
3RF4_C_FUNC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)		 3s1v PROBABLE
TRANSALDOLASE
(Thermoplasma
acidophilum) 		5 / 11 ILE A 180
ARG A 176
ILE A 168
VAL A 165
VAL A 133
 GOL  A 225 (-4.7A)
GOL  A 224 ( 3.9A)
None
None
None
 1.17A 3rf4B-3s1vA:
undetectable
3rf4C-3s1vA:
undetectable		 3rf4B-3s1vA:
19.63
3rf4C-3s1vA:
19.63
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.
3S33_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.56A 3s33A-2jlpA:
undetectable		 3s33A-2jlpA:
16.84
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.
3S38_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.59A 3s38A-2jlpA:
undetectable		 3s38A-2jlpA:
16.84
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.
3S39_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.54A 3s39A-2jlpA:
undetectable		 3s39A-2jlpA:
16.84
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.
3S3A_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.61A 3s3aA-2jlpA:
undetectable		 3s3aA-2jlpA:
16.84
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.
3S3B_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.58A 3s3bA-2jlpA:
undetectable		 3s3bA-2jlpA:
16.84
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.
3S3C_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.57A 3s3cA-2jlpA:
undetectable		 3s3cA-2jlpA:
16.84
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.
3S3D_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.50A 3s3dA-2jlpA:
undetectable		 3s3dA-2jlpA:
16.84
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.
3S3V_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 2qvs CAMP-DEPENDENT
PROTEIN KINASE TYPE
II-ALPHA REGULATORY
SUBUNIT
(Mus
musculus) 		5 / 12 ILE B 163
ALA B 215
PHE B 202
LEU B 225
VAL B 162
 ILE  B 163 ( 0.7A)
ALA  B 215 ( 0.0A)
PHE  B 202 ( 1.3A)
LEU  B 225 ( 0.6A)
VAL  B 162 ( 0.6A)
 1.14A 3s3vA-2qvsB:
undetectable		 3s3vA-2qvsB:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S68_A_SAMA228_1
(CATECHOL
O-METHYLTRANSFERASE)		 5nqf APICAL MEMBRANE
ANTIGEN 1
(Plasmodium
falciparum) 		5 / 12 ASN A 293
VAL A 294
MET A 224
ASN A 225
HIS A 220
 ASN  A 293 ( 0.6A)
VAL  A 294 ( 0.6A)
MET  A 224 ( 0.0A)
ASN  A 225 ( 0.6A)
HIS  A 220 ( 1.0A)
 1.48A 3s68A-5nqfA:
undetectable		 3s68A-5nqfA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S8P_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 2cb9 FENGYCIN SYNTHETASE
(Bacillus
subtilis) 		5 / 12 GLY A 199
ALA A 200
SER A  84
TYR A 113
PHE A 166
 None
None
ACY  A1225 (-2.5A)
None
None
 0.98A 3s8pA-2cb9A:
undetectable		 3s8pA-2cb9A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S8P_B_SAMB500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 2cb9 FENGYCIN SYNTHETASE
(Bacillus
subtilis) 		5 / 12 GLY A 199
ALA A 200
SER A  84
TYR A 113
PHE A 166
 None
None
ACY  A1225 (-2.5A)
None
None
 0.99A 3s8pB-2cb9A:
undetectable		 3s8pB-2cb9A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SPK_A_TPVA100_1
(HIV-1 PROTEASE)		 2pcl LIPOPROTEIN-RELEASIN
G SYSTEM ATP-BINDING
PROTEIN LOLD
(Aquifex
aeolicus) 		5 / 11 ALA A 203
ILE A  35
ILE A 193
PRO A 167
THR A 168
 None
None
None
MG  A 225 ( 3.8A)
MG  A 225 ( 3.3A)
 1.14A 3spkA-2pclA:
undetectable		 3spkA-2pclA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T7S_B_SAMB300_0
(PUTATIVE
METHYLTRANSFERASE)		 5anb 60S RIBOSOMAL
PROTEIN L10
(Dictyostelium
discoideum) 		5 / 12 ARG F  38
GLY F 194
GLU F  45
ALA F 195
ASN F 196
 None
C  N1226 ( 3.8A)
None
G  N1225 ( 3.8A)
U  N1257 ( 3.4A)
 1.32A 3t7sB-5anbF:
undetectable		 3t7sB-5anbF:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T7S_D_SAMD300_0
(PUTATIVE
METHYLTRANSFERASE)		 5anb 60S RIBOSOMAL
PROTEIN L10
(Dictyostelium
discoideum) 		5 / 12 ARG F  38
GLY F 194
GLU F  45
ALA F 195
ASN F 196
 None
C  N1226 ( 3.8A)
None
G  N1225 ( 3.8A)
U  N1257 ( 3.4A)
 1.33A 3t7sD-5anbF:
undetectable		 3t7sD-5anbF:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UF8_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 1pbk FKBP25
(Homo
sapiens) 		8 / 10 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.24A 3uf8A-1pbkA:
18.1		 3uf8A-1pbkA:
26.96
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.
3UQA_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 1pbk FKBP25
(Homo
sapiens) 		8 / 10 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.31A 3uqaA-1pbkA:
18.0		 3uqaA-1pbkA:
26.96
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.
3UQB_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 1pbk FKBP25
(Homo
sapiens) 		7 / 8 TYR A 135
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.26A 3uqbA-1pbkA:
17.9		 3uqbA-1pbkA:
26.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VAW_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 1pbk FKBP25
(Homo
sapiens) 		8 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.32A 3vawA-1pbkA:
17.4		 3vawA-1pbkA:
26.96
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.
3VLN_A_ASCA904_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		 1gwc GLUTATHIONE
S-TRANSFERASE TSI-1
(Aegilops
tauschii) 		5 / 6 PHE A  17
ARG A  20
PRO A  57
GLU A  68
SER A  69
 GTX  A1225 (-3.8A)
None
GTX  A1225 (-4.1A)
GTX  A1225 (-2.9A)
GTX  A1225 (-2.7A)
 0.47A 3vlnA-1gwcA:
23.9		 3vlnA-1gwcA:
29.07
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.
3WG7_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.51A 3wg7A-2jlpA:
undetectable		 3wg7A-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.53A 3wg7N-2jlpA:
undetectable		 3wg7N-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3X2Q_A_CUA604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.53A 3x2qA-2jlpA:
undetectable		 3x2qA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3X2Q_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.58A 3x2qN-2jlpA:
undetectable		 3x2qN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3X2Q_P_CHDP308_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 LEU B 371
HIS B  89
TYR B 117
HIS B  67
 CLA  B1225 ( 4.4A)
CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
 1.14A 3x2qC-4rkuB:
2.9
3x2qN-4rkuB:
2.3
3x2qP-4rkuB:
2.9		 3x2qC-4rkuB:
16.14
3x2qN-4rkuB:
22.74
3x2qP-4rkuB:
16.14
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.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 4bwc PHOSPHOLIPASE B-LIKE
1
(Bos
taurus) 		5 / 11 TYR B 352
LEU A 118
GLN B 298
ILE A 196
TYR B 288
 None
None
OCS  B 225 ( 4.9A)
None
None
 1.37A 4a7aA-4bwcB:
undetectable		 4a7aA-4bwcB:
18.49
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.
4BUP_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 2cb9 FENGYCIN SYNTHETASE
(Bacillus
subtilis) 		5 / 12 GLY A 199
ALA A 200
SER A  84
TYR A 113
PHE A 166
 None
None
ACY  A1225 (-2.5A)
None
None
 1.00A 4bupA-2cb9A:
undetectable		 4bupA-2cb9A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BUP_B_SAMB500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 2cb9 FENGYCIN SYNTHETASE
(Bacillus
subtilis) 		5 / 12 GLY A 199
ALA A 200
SER A  84
TYR A 113
PHE A 166
 None
None
ACY  A1225 (-2.5A)
None
None
 0.98A 4bupB-2cb9A:
0.0		 4bupB-2cb9A:
22.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DRH_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 1pbk FKBP25
(Homo
sapiens) 		8 / 12 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.39A 4drhA-1pbkA:
17.3		 4drhA-1pbkA:
38.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DRH_D_RAPD201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 1pbk FKBP25
(Homo
sapiens) 		8 / 12 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.38A 4drhD-1pbkA:
17.3		 4drhD-1pbkA:
38.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DRI_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 1pbk FKBP25
(Homo
sapiens) 		8 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.33A 4driA-1pbkA:
18.8		 4driA-1pbkA:
38.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DRJ_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4)		 1pbk FKBP25
(Homo
sapiens) 		8 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.26A 4drjA-1pbkA:
19.1		 4drjA-1pbkA:
38.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ2_A_FK5A200_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 1pbk FKBP25
(Homo
sapiens) 		5 / 11 PHE A 164
ILE A 172
TRP A 175
TYR A 198
PHE A 216
 None
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
None
 1.36A 4dz2A-1pbkA:
17.9
4dz2B-1pbkA:
17.9		 4dz2A-1pbkA:
41.32
4dz2B-1pbkA:
41.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ2_A_FK5A200_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 1pbk FKBP25
(Homo
sapiens) 		8 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.31A 4dz2A-1pbkA:
17.9
4dz2B-1pbkA:
17.9		 4dz2A-1pbkA:
41.32
4dz2B-1pbkA:
41.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ2_B_FK5B200_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 1pbk FKBP25
(Homo
sapiens) 		6 / 11 PHE A 164
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 None
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 1.36A 4dz2A-1pbkA:
17.9
4dz2B-1pbkA:
17.9		 4dz2A-1pbkA:
41.32
4dz2B-1pbkA:
41.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ2_B_FK5B200_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 1pbk FKBP25
(Homo
sapiens) 		8 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.32A 4dz2A-1pbkA:
17.9
4dz2B-1pbkA:
17.9		 4dz2A-1pbkA:
41.32
4dz2B-1pbkA:
41.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ3_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 1pbk FKBP25
(Homo
sapiens) 		5 / 10 PHE A 164
ILE A 172
TRP A 175
TYR A 198
PHE A 216
 None
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
None
 1.33A 4dz3A-1pbkA:
18.1		 4dz3A-1pbkA:
41.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ3_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 1pbk FKBP25
(Homo
sapiens) 		8 / 10 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.32A 4dz3A-1pbkA:
18.1		 4dz3A-1pbkA:
41.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ3_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 1pbk FKBP25
(Homo
sapiens) 		6 / 10 PHE A 164
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 None
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 1.33A 4dz3B-1pbkA:
18.1		 4dz3B-1pbkA:
41.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DZ3_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 1pbk FKBP25
(Homo
sapiens) 		8 / 10 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.31A 4dz3B-1pbkA:
18.1		 4dz3B-1pbkA:
41.32
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.
4EJJ_A_NCTA501_1
(CYTOCHROME P450 2A6)		 2wag LYSOZYME, PUTATIVE
(Bacillus
anthracis) 		5 / 7 PHE A  40
PHE A 182
THR A 181
ILE A 142
PHE A  42
 None
None
GOL  A1225 (-3.0A)
None
None
 1.49A 4ejjA-2wagA:
undetectable		 4ejjA-2wagA:
19.28
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.
4I00_A_ZMRA509_2
(NEURAMINIDASE)		 5o60 50S RIBOSOMAL
PROTEIN L10
(Mycolicibacteriu
m
smegmatis) 		4 / 5 LEU I  36
ARG I  40
ILE I  79
ASN I  54
 A  A1202 ( 4.9A)
G  A1201 ( 3.5A)
None
G  A1225 ( 3.2A)
 1.25A 4i00A-5o60I:
undetectable		 4i00A-5o60I:
15.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JLT_A_8PRA505_1
(CYTOCHROME P450 2B4)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		4 / 8 ILE A 113
ALA A 297
VAL A 366
PRO A 367
 225  A 501 ( 4.3A)
HEM  A 500 (-3.5A)
225  A 501 ( 3.7A)
225  A 501 ( 4.7A)
 0.25A 4jltA-2nnjA:
54.2		 4jltA-2nnjA:
55.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LAX_A_FK5A301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4)		 1pbk FKBP25
(Homo
sapiens) 		6 / 10 PHE A 164
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 None
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 1.47A 4laxA-1pbkA:
19.1		 4laxA-1pbkA:
33.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LAX_A_FK5A301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4)		 1pbk FKBP25
(Homo
sapiens) 		8 / 10 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
LYS A 207
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
None
RAP  A 225 ( 4.9A)
None
 0.71A 4laxA-1pbkA:
19.1		 4laxA-1pbkA:
33.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LAX_A_FK5A301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4)		 1pbk FKBP25
(Homo
sapiens) 		8 / 10 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.28A 4laxA-1pbkA:
19.1		 4laxA-1pbkA:
33.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M7K_H_ACTH302_0
(10H10 HEAVY CHAIN)		 3bqu 3H6 FAB HEAVY CHAIN
(Mus
musculus) 		4 / 5 VAL D   2
TYR D  27
ARG D  98
TYR D 111
 None
None
SO4  D 225 (-3.0A)
None
 0.31A 4m7kH-3bquD:
27.3		 4m7kH-3bquD:
62.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NNR_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2)		 1pbk FKBP25
(Homo
sapiens) 		8 / 12 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.27A 4nnrA-1pbkA:
15.6
4nnrB-1pbkA:
15.6		 4nnrA-1pbkA:
38.62
4nnrB-1pbkA:
38.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NNR_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2)		 1pbk FKBP25
(Homo
sapiens) 		8 / 10 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.26A 4nnrB-1pbkA:
15.6		 4nnrB-1pbkA:
38.62
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.
4O4D_A_ACTA406_0
(INOSITOL
HEXAKISPHOSPHATE
KINASE)		 3zyp CIP1
(Trichoderma
reesei) 		4 / 7 ASP A 206
ARG A  70
PHE A 138
HIS A  36
 CA  A1220 (-2.2A)
PEG  A1225 (-4.1A)
PEG  A1227 ( 4.6A)
None
 1.39A 4o4dA-3zypA:
undetectable		 4o4dA-3zypA:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ODO_A_FK5A205_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		 1pbk FKBP25
(Homo
sapiens) 		6 / 10 TYR A 135
ASP A 146
LEU A 162
ILE A 172
TYR A 198
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-4.8A)
RAP  A 225 (-3.9A)
RAP  A 225 (-4.6A)
None
 0.54A 4odoA-1pbkA:
11.6		 4odoA-1pbkA:
27.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ODO_B_FK5B203_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		 1pbk FKBP25
(Homo
sapiens) 		6 / 10 TYR A 135
ASP A 146
LEU A 162
ILE A 172
TYR A 198
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-4.8A)
RAP  A 225 (-3.9A)
RAP  A 225 (-4.6A)
None
 0.52A 4odoB-1pbkA:
11.4		 4odoB-1pbkA:
27.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ODO_C_FK5C204_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		 1pbk FKBP25
(Homo
sapiens) 		6 / 10 TYR A 135
ASP A 146
LEU A 162
ILE A 172
TYR A 198
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-4.8A)
RAP  A 225 (-3.9A)
RAP  A 225 (-4.6A)
None
 0.51A 4odoC-1pbkA:
11.2		 4odoC-1pbkA:
27.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ODR_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA)		 1pbk FKBP25
(Homo
sapiens) 		7 / 12 TYR A 135
ASP A 146
LEU A 162
ILE A 172
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-4.8A)
RAP  A 225 (-3.9A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.49A 4odrA-1pbkA:
13.2
4odrB-1pbkA:
13.2		 4odrA-1pbkA:
28.06
4odrB-1pbkA:
28.06
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.
4ODR_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA)		 1pbk FKBP25
(Homo
sapiens) 		6 / 11 TYR A 135
ASP A 146
LEU A 162
ILE A 172
TYR A 198
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-4.8A)
RAP  A 225 (-3.9A)
RAP  A 225 (-4.6A)
None
 0.48A 4odrA-1pbkA:
13.2
4odrB-1pbkA:
13.2		 4odrA-1pbkA:
28.06
4odrB-1pbkA:
28.06
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.
4OKW_A_198A1001_1
(ANDROGEN RECEPTOR)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		5 / 12 LEU A 225
GLY A 221
THR A 378
ILE A 302
VAL A 389
 LEU  A 225 ( 0.6A)
GLY  A 221 ( 0.0A)
THR  A 378 ( 0.8A)
ILE  A 302 ( 0.6A)
VAL  A 389 ( 0.6A)
 1.28A 4okwA-2ogsA:
undetectable		 4okwA-2ogsA:
19.80
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.
4PB1_A_RBVA501_1
(NUPC FAMILY PROTEIN)		 3ghg FIBRINOGEN GAMMA
CHAIN
(Homo
sapiens) 		5 / 12 GLY C 200
GLU C 225
ASN C 365
SER C 378
ILE C 367
 GLY  C 200 ( 0.0A)
GLU  C 225 ( 0.5A)
ASN  C 365 ( 0.6A)
SER  C 378 ( 0.0A)
ILE  C 367 ( 0.5A)
 1.26A 4pb1A-3ghgC:
undetectable		 4pb1A-3ghgC:
19.96
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.
4POO_A_SAMA301_0
(PUTATIVE RNA
METHYLASE)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		5 / 12 GLY A 225
ASN A 226
ASP A  52
ILE A 184
SER A 183
 GLY  A 225 ( 0.0A)
ASN  A 226 ( 0.6A)
ASP  A  52 ( 0.6A)
ILE  A 184 ( 0.4A)
SER  A 183 ( 0.0A)
 1.28A 4pooA-5ep8A:
undetectable		 4pooA-5ep8A:
19.35
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.
4POO_B_SAMB301_0
(PUTATIVE RNA
METHYLASE)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		5 / 12 GLY A 225
ASN A 226
ASP A  52
ILE A 184
SER A 183
 GLY  A 225 ( 0.0A)
ASN  A 226 ( 0.6A)
ASP  A  52 ( 0.6A)
ILE  A 184 ( 0.4A)
SER  A 183 ( 0.0A)
 1.32A 4pooB-5ep8A:
undetectable		 4pooB-5ep8A:
19.35
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.
4QGI_A_ROCA101_1
(PROTEASE)		 5vpr CYSTEINE DESULFURASE
(Elizabethkingia
anophelis) 		6 / 11 ASP A 199
GLY A 200
ALA A 201
THR A 232
GLY A 233
ILE A 234
 LLP  A 225 ( 2.7A)
None
LLP  A 225 ( 3.6A)
None
None
None
 1.34A 4qgiA-5vprA:
undetectable		 4qgiA-5vprA:
15.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QT2_A_RAPA202_1
(FK506-BINDING
PROTEIN (FKBP)-TYPE
PEPTIDYL-PROPYL
ISOMERASE)		 1pbk FKBP25
(Homo
sapiens) 		8 / 10 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.31A 4qt2A-1pbkA:
18.5		 4qt2A-1pbkA:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QT3_A_RAPA202_1
(FK506-BINDING
PROTEIN (FKBP)-TYPE
PEPTIDYL-PROPYL
ISOMERASE)		 1pbk FKBP25
(Homo
sapiens) 		8 / 10 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.37A 4qt3A-1pbkA:
17.4		 4qt3A-1pbkA:
33.80
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.
4R29_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN)		 3quc INORGANIC
PYROPHOSPHATASE
(Bacteroides
thetaiotaomicron) 		5 / 12 ALA A 140
GLY A  51
GLU A 171
ALA A 179
TYR A 153
 None
SO4  A 225 ( 3.8A)
None
None
None
 1.27A 4r29B-3qucA:
undetectable		 4r29B-3qucA:
21.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)		 5gru DIABODY PROTEIN
DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		5 / 12 PHE L 103
GLN H 223
GLN H 224
GLY H 225
LEU H 228
 PHE  L 103 ( 1.3A)
GLN  H 223 ( 0.6A)
GLN  H 224 ( 0.6A)
GLY  H 225 ( 0.0A)
LEU  H 228 ( 0.6A)
 0.62A 4uilH-5gruL:
18.6
4uilL-5gruL:
19.3		 4uilH-5gruL:
35.54
4uilL-5gruL:
66.36
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.
4XDT_A_ACTA407_0
(FAD:PROTEIN FMN
TRANSFERASE)		 1wly 2-HALOACRYLATE
REDUCTASE
(Burkholderia
sp.
WS) 		3 / 3 ASP A 225
GLY A 223
ASP A 220
 ASP  A 225 ( 0.5A)
GLY  A 223 ( 0.0A)
ASP  A 220 ( 0.6A)
 0.62A 4xdtA-1wlyA:
undetectable		 4xdtA-1wlyA:
21.20
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.
4XQE_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 3d6s ALLERGEN DER F I
(Dermatophagoides
farinae) 		4 / 6 ARG A 100
ARG A 105
ARG A 103
ASP A  65
 SO4  A 225 ( 4.3A)
SO4  A 225 (-4.1A)
None
None
 1.30A 4xqeB-3d6sA:
undetectable		 4xqeB-3d6sA:
18.83
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.
4ZJL_A_ERYA1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 1gwc GLUTATHIONE
S-TRANSFERASE TSI-1
(Aegilops
tauschii) 		5 / 12 SER A  69
SER A 170
PHE A 184
PHE A 199
LEU A  27
 GTX  A1225 (-2.7A)
None
None
None
None
 1.39A 4zjlA-1gwcA:
0.0		 4zjlA-1gwcA:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.51A 5b1aA-2jlpA:
undetectable		 5b1aA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.54A 5b1aN-2jlpA:
undetectable		 5b1aN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.54A 5b1bA-2jlpA:
undetectable		 5b1bA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.55A 5b1bN-2jlpA:
undetectable		 5b1bN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.53A 5b3sA-2jlpA:
undetectable		 5b3sA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.55A 5b3sN-2jlpA:
undetectable		 5b3sN-2jlpA:
15.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5B8I_C_FK5C201_3
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 1pbk FKBP25
(Homo
sapiens) 		8 / 12 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.34A 5b8iC-1pbkA:
18.9		 5b8iC-1pbkA:
41.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5D75_A_FK5A301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3)		 1pbk FKBP25
(Homo
sapiens) 		9 / 11 LEU A 162
VAL A 171
ILE A 172
TRP A 175
TYR A 198
GLN A 203
ALA A 206
ILE A 208
PHE A 216
 RAP  A 225 (-4.8A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
None
RAP  A 225 ( 3.9A)
RAP  A 225 ( 4.9A)
None
 1.05A 5d75A-1pbkA:
22.0		 5d75A-1pbkA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5D75_A_FK5A301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3)		 1pbk FKBP25
(Homo
sapiens) 		10 / 11 TYR A 135
ASP A 146
LEU A 162
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ALA A 206
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-4.8A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 3.9A)
RAP  A 225 ( 4.9A)
None
 0.75A 5d75A-1pbkA:
22.0		 5d75A-1pbkA:
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.
5E5J_A_017A201_1
(PROTEASE)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		5 / 12 ALA A 436
ILE A 113
GLY A 298
ILE A 178
ILE A 112
 HEM  A 500 (-3.7A)
225  A 501 ( 4.3A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.1A)
 0.83A 5e5jA-2nnjA:
undetectable		 5e5jA-2nnjA:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5J_A_017A201_2
(PROTEASE)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		5 / 12 ALA A 436
ILE A 113
GLY A 298
ILE A 178
ILE A 112
 HEM  A 500 (-3.7A)
225  A 501 ( 4.3A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.1A)
 0.88A 5e5jB-2nnjA:
undetectable		 5e5jB-2nnjA:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHR_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5nqf APICAL MEMBRANE
ANTIGEN 1
(Plasmodium
falciparum) 		5 / 12 ASN A 293
VAL A 294
MET A 224
ASN A 225
HIS A 220
 ASN  A 293 ( 0.6A)
VAL  A 294 ( 0.6A)
MET  A 224 ( 0.0A)
ASN  A 225 ( 0.6A)
HIS  A 220 ( 1.0A)
 1.48A 5fhrA-5nqfA:
undetectable		 5fhrA-5nqfA:
18.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GPG_A_RAPA301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3)		 1pbk FKBP25
(Homo
sapiens) 		10 / 11 TYR A 135
ASP A 146
LEU A 162
LYS A 170
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-4.8A)
RAP  A 225 (-2.9A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.54A 5gpgA-1pbkA:
21.9		 5gpgA-1pbkA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GPG_A_RAPA301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3)		 1pbk FKBP25
(Homo
sapiens) 		10 / 11 TYR A 135
ASP A 146
LEU A 162
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ALA A 206
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-4.8A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 3.9A)
RAP  A 225 ( 4.9A)
None
 0.56A 5gpgA-1pbkA:
21.9		 5gpgA-1pbkA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HKG_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B)		 1pbk FKBP25
(Homo
sapiens) 		7 / 12 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.38A 5hkgA-1pbkA:
19.1		 5hkgA-1pbkA:
42.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HQA_A_ACRA705_2
(ALPHA-GLUCOSIDASE)		 3m33 UNCHARACTERIZED
PROTEIN
(Deinococcus
radiodurans) 		4 / 8 PHE A  75
GLU A  14
HIS A  56
THR A 119
 SO4  A 225 (-4.5A)
None
CL  A 224 (-4.3A)
SO4  A 228 (-3.4A)
 1.44A 5hqaA-3m33A:
undetectable		 5hqaA-3m33A:
14.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HUA_A_FK5A201_1
(FK506-BINDING
PROTEIN 1)		 1pbk FKBP25
(Homo
sapiens) 		7 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
None
 0.25A 5huaA-1pbkA:
19.6		 5huaA-1pbkA:
42.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HW8_A_FK5A201_1
(FK506-BINDING
PROTEIN 1)		 1pbk FKBP25
(Homo
sapiens) 		7 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
 0.45A 5hw8A-1pbkA:
17.9
5hw8D-1pbkA:
18.1		 5hw8A-1pbkA:
40.00
5hw8D-1pbkA:
40.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HW8_B_FK5B201_1
(FK506-BINDING
PROTEIN 1)		 1pbk FKBP25
(Homo
sapiens) 		7 / 11 TYR A 135
ASP A 146
VAL A 171
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.40A 5hw8B-1pbkA:
17.9		 5hw8B-1pbkA:
40.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HW8_C_FK5C201_1
(FK506-BINDING
PROTEIN 1)		 1pbk FKBP25
(Homo
sapiens) 		8 / 10 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
LEU A 214
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
None
None
 0.41A 5hw8C-1pbkA:
17.8
5hw8H-1pbkA:
14.8		 5hw8C-1pbkA:
40.00
5hw8H-1pbkA:
40.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HW8_D_FK5D201_1
(FK506-BINDING
PROTEIN 1)		 1pbk FKBP25
(Homo
sapiens) 		8 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.40A 5hw8D-1pbkA:
18.1		 5hw8D-1pbkA:
40.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HW8_E_FK5E201_1
(FK506-BINDING
PROTEIN 1)		 1pbk FKBP25
(Homo
sapiens) 		7 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
 1.46A 5hw8E-1pbkA:
18.3		 5hw8E-1pbkA:
40.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HW8_E_FK5E201_1
(FK506-BINDING
PROTEIN 1)		 1pbk FKBP25
(Homo
sapiens) 		7 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
None
 0.42A 5hw8E-1pbkA:
18.3		 5hw8E-1pbkA:
40.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HW8_F_FK5F201_1
(FK506-BINDING
PROTEIN 1)		 1pbk FKBP25
(Homo
sapiens) 		7 / 12 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
None
 0.41A 5hw8B-1pbkA:
17.9
5hw8F-1pbkA:
15.0
5hw8G-1pbkA:
17.4		 5hw8B-1pbkA:
40.00
5hw8F-1pbkA:
40.00
5hw8G-1pbkA:
40.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HW8_G_FK5G201_2
(FK506-BINDING
PROTEIN 1)		 1pbk FKBP25
(Homo
sapiens) 		7 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
 1.41A 5hw8G-1pbkA:
17.4		 5hw8G-1pbkA:
40.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HW8_G_FK5G201_2
(FK506-BINDING
PROTEIN 1)		 1pbk FKBP25
(Homo
sapiens) 		8 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.38A 5hw8G-1pbkA:
17.4		 5hw8G-1pbkA:
40.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HW8_H_FK5H201_1
(FK506-BINDING
PROTEIN 1)		 1pbk FKBP25
(Homo
sapiens) 		6 / 8 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
None
 0.53A 5hw8H-1pbkA:
14.8		 5hw8H-1pbkA:
40.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HWC_A_FK5A201_1
(FK506-BINDING
PROTEIN 1A)		 1pbk FKBP25
(Homo
sapiens) 		8 / 11 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.30A 5hwcA-1pbkA:
19.6		 5hwcA-1pbkA:
43.70
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.
5IK1_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		4 / 7 THR A 301
VAL A 362
ILE A 476
VAL A 477
 HEM  A 500 ( 3.7A)
HEM  A 500 ( 4.9A)
225  A 501 ( 3.9A)
None
 0.71A 5ik1A-2nnjA:
30.1		 5ik1A-2nnjA:
25.83
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.
5IY5_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.55A 5iy5A-2jlpA:
undetectable		 5iy5A-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IY5_N_CUN602_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.55A 5iy5N-2jlpA:
undetectable		 5iy5N-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JO9_A_SORA302_0
(RIBITOL
2-DEHYDROGENASE)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		5 / 12 TYR A 138
LEU A 226
GLY A 276
PRO A 277
LEU A 225
 TYR  A 138 ( 1.3A)
LEU  A 226 ( 0.6A)
GLY  A 276 ( 0.0A)
PRO  A 277 ( 1.1A)
LEU  A 225 ( 0.6A)
 1.32A 5jo9A-2ogsA:
3.9		 5jo9A-2ogsA:
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.
5LRB_A_ACRA1003_1
(ALPHA-1,4 GLUCAN
PHOSPHORYLASE)		 5xlu GAMMA GLUTAMYL
TRANSPEPTIDASE
(Bacillus
licheniformis) 		4 / 6 GLU A 151
PHE A 225
THR A 224
TYR A 237
 GLU  A 151 ( 0.6A)
PHE  A 225 ( 1.3A)
THR  A 224 ( 0.8A)
TYR  A 237 ( 1.3A)
 1.29A 5lrbA-5xluA:
undetectable		 5lrbA-5xluA:
6.26
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.
5OS7_A_ACTA402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 5vpr CYSTEINE DESULFURASE
(Elizabethkingia
anophelis) 		3 / 3 HIS A 224
SER A  32
LYS A  34
 LLP  A 225 ( 3.7A)
LLP  A 225 ( 3.3A)
LLP  A 225 ( 4.9A)
 1.01A 5os7A-5vprA:
undetectable		 5os7A-5vprA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OS7_A_ACTA402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 5vpr CYSTEINE DESULFURASE
(Elizabethkingia
anophelis) 		3 / 3 HIS A 224
SER A  32
LYS A 226
 LLP  A 225 ( 3.7A)
LLP  A 225 ( 3.3A)
LLP  A 225 ( 3.5A)
 1.05A 5os7A-5vprA:
undetectable		 5os7A-5vprA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5T8H_B_478B401_2
(PROTEASE)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		5 / 12 ALA A 436
ILE A 113
GLY A 298
ILE A 178
ILE A 112
 HEM  A 500 (-3.7A)
225  A 501 ( 4.3A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.1A)
 0.89A 5t8hB-2nnjA:
undetectable		 5t8hB-2nnjA:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W97_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.59A 5w97a-2jlpA:
undetectable		 5w97a-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WAU_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.56A 5waua-2jlpA:
undetectable		 5waua-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WBV_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 2cb9 FENGYCIN SYNTHETASE
(Bacillus
subtilis) 		5 / 12 GLY A 199
ALA A 200
SER A  84
TYR A 113
PHE A 166
 None
None
ACY  A1225 (-2.5A)
None
None
 1.02A 5wbvA-2cb9A:
undetectable		 5wbvA-2cb9A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WBV_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 2cb9 FENGYCIN SYNTHETASE
(Bacillus
subtilis) 		5 / 12 GLY A 199
ALA A 200
SER A  84
TYR A 113
PHE A 166
 None
None
ACY  A1225 (-2.5A)
None
None
 1.03A 5wbvB-2cb9A:
undetectable		 5wbvB-2cb9A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X19_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.55A 5x19A-2jlpA:
undetectable		 5x19A-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X19_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.57A 5x19N-2jlpA:
undetectable		 5x19N-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1B_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.57A 5x1bA-2jlpA:
undetectable		 5x1bA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1B_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.56A 5x1bN-2jlpA:
undetectable		 5x1bN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.59A 5x1fA-2jlpA:
undetectable		 5x1fA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 7 HIS B  89
TYR B 117
HIS B  67
LEU B 371
 CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
CLA  B1225 ( 4.4A)
 1.21A 5x1fA-4rkuB:
undetectable
5x1fC-4rkuB:
3.0
5x1fP-4rkuB:
2.9		 5x1fA-4rkuB:
22.74
5x1fC-4rkuB:
16.14
5x1fP-4rkuB:
16.14
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.
5X1F_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.58A 5x1fN-2jlpA:
undetectable		 5x1fN-2jlpA:
15.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X23_A_LSNA504_1
(CYTOCHROME P450 2C9)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		5 / 8 ILE A  74
ASN A 217
PRO A 363
THR A 364
PRO A 367
 None
None
None
None
225  A 501 ( 4.7A)
 0.58A 5x23A-2nnjA:
58.2		 5x23A-2nnjA:
78.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.51A 5xdqA-2jlpA:
undetectable		 5xdqA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.54A 5xdqN-2jlpA:
undetectable		 5xdqN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 LEU B 371
HIS B  89
TYR B 117
HIS B  67
 CLA  B1225 ( 4.4A)
CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
 1.15A 5xdqC-4rkuB:
2.9
5xdqN-4rkuB:
undetectable
5xdqP-4rkuB:
2.9		 5xdqC-4rkuB:
16.14
5xdqN-4rkuB:
22.74
5xdqP-4rkuB:
16.14
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.
5XDX_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.54A 5xdxA-2jlpA:
undetectable		 5xdxA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDX_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.56A 5xdxN-2jlpA:
undetectable		 5xdxN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDX_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 LEU B 371
HIS B  89
TYR B 117
HIS B  67
 CLA  B1225 ( 4.4A)
CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
 1.15A 5xdxC-4rkuB:
3.1
5xdxN-4rkuB:
undetectable
5xdxP-4rkuB:
2.9		 5xdxC-4rkuB:
16.14
5xdxN-4rkuB:
22.74
5xdxP-4rkuB:
16.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XXI_A_LSNA503_1
(CYTOCHROME P450 2C9)		 2nnj CYTOCHROME P450 2C8
(Homo
sapiens) 		5 / 12 ILE A  74
ASN A 217
PRO A 363
THR A 364
PRO A 367
 None
None
None
None
225  A 501 ( 4.7A)
 0.54A 5xxiA-2nnjA:
58.3		 5xxiA-2nnjA:
78.40
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.
5Z84_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.50A 5z84A-2jlpA:
undetectable		 5z84A-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z84_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.54A 5z84N-2jlpA:
undetectable		 5z84N-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z84_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 7 LEU B 371
HIS B  89
TYR B 117
HIS B  67
 CLA  B1225 ( 4.4A)
CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
 1.15A 5z84C-4rkuB:
2.9
5z84N-4rkuB:
undetectable
5z84P-4rkuB:
2.9		 5z84C-4rkuB:
16.14
5z84N-4rkuB:
22.74
5z84P-4rkuB:
16.14
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.
5Z85_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.53A 5z85A-2jlpA:
undetectable		 5z85A-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z85_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.52A 5z85N-2jlpA:
undetectable		 5z85N-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.50A 5z86A-2jlpA:
undetectable		 5z86A-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.55A 5z86N-2jlpA:
undetectable		 5z86N-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 LEU B 371
HIS B  89
TYR B 117
HIS B  67
 CLA  B1225 ( 4.4A)
CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
 1.16A 5z86C-4rkuB:
2.9
5z86N-4rkuB:
4.8
5z86P-4rkuB:
2.9		 5z86C-4rkuB:
16.14
5z86N-4rkuB:
22.74
5z86P-4rkuB:
16.14
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.
5ZCO_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.52A 5zcoA-2jlpA:
undetectable		 5zcoA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.51A 5zcoN-2jlpA:
undetectable		 5zcoN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.49A 5zcpA-2jlpA:
undetectable		 5zcpA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.53A 5zcpN-2jlpA:
undetectable		 5zcpN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.49A 5zcqA-2jlpA:
undetectable		 5zcqA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.50A 5zcqN-2jlpA:
undetectable		 5zcqN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZRD_C_CUC604_0
(TYROSINASE)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		4 / 4 HIS A  96
HIS A 163
HIS A  98
HIS A 113
 CU  A 225 (-3.2A)
CU  A 225 (-3.2A)
CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
 1.15A 5zrdC-2jlpA:
undetectable		 5zrdC-2jlpA:
18.36
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.
5ZRD_D_CUD607_0
(TYROSINASE)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		4 / 4 HIS A  96
HIS A 163
HIS A  98
HIS A 113
 CU  A 225 (-3.2A)
CU  A 225 (-3.2A)
CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
 1.14A 5zrdD-2jlpA:
undetectable		 5zrdD-2jlpA:
18.36
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.
6DLZ_A_CYZA1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		5 / 10 PRO A 294
LEU A 302
SER A 213
ILE A 290
GLY A 225
 PRO  A 294 ( 1.1A)
LEU  A 302 ( 0.6A)
SER  A 213 ( 0.0A)
ILE  A 290 ( 0.7A)
GLY  A 225 ( 0.0A)
 1.10A 6dlzA-5w0aA:
undetectable
6dlzD-5w0aA:
undetectable		 6dlzA-5w0aA:
20.93
6dlzD-5w0aA:
20.93
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.
6DLZ_C_CYZC1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		5 / 10 ILE A 290
GLY A 225
PRO A 294
LEU A 302
SER A 213
 ILE  A 290 ( 0.7A)
GLY  A 225 ( 0.0A)
PRO  A 294 ( 1.1A)
LEU  A 302 ( 0.6A)
SER  A 213 ( 0.0A)
 1.10A 6dlzB-5w0aA:
undetectable
6dlzC-5w0aA:
undetectable		 6dlzB-5w0aA:
20.93
6dlzC-5w0aA:
20.93
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.
6DM1_A_CYZA1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		5 / 10 PRO A 294
LEU A 302
SER A 213
ILE A 290
GLY A 225
 PRO  A 294 ( 1.1A)
LEU  A 302 ( 0.6A)
SER  A 213 ( 0.0A)
ILE  A 290 ( 0.7A)
GLY  A 225 ( 0.0A)
 1.10A 6dm1A-5w0aA:
undetectable
6dm1D-5w0aA:
undetectable		 6dm1A-5w0aA:
20.93
6dm1D-5w0aA:
20.93
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.
6DM1_C_CYZC1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		5 / 10 ILE A 290
GLY A 225
PRO A 294
LEU A 302
SER A 213
 ILE  A 290 ( 0.7A)
GLY  A 225 ( 0.0A)
PRO  A 294 ( 1.1A)
LEU  A 302 ( 0.6A)
SER  A 213 ( 0.0A)
 1.10A 6dm1B-5w0aA:
undetectable
6dm1C-5w0aA:
undetectable		 6dm1B-5w0aA:
20.93
6dm1C-5w0aA:
20.93
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.
6GMD_B_ACTB402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 5vpr CYSTEINE DESULFURASE
(Elizabethkingia
anophelis) 		3 / 3 HIS A 224
SER A  32
LYS A  34
 LLP  A 225 ( 3.7A)
LLP  A 225 ( 3.3A)
LLP  A 225 ( 4.9A)
 1.01A 6gmdB-5vprA:
undetectable		 6gmdB-5vprA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GMD_B_ACTB402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 5vpr CYSTEINE DESULFURASE
(Elizabethkingia
anophelis) 		3 / 3 HIS A 224
SER A  32
LYS A 226
 LLP  A 225 ( 3.7A)
LLP  A 225 ( 3.3A)
LLP  A 225 ( 3.5A)
 1.05A 6gmdB-5vprA:
undetectable		 6gmdB-5vprA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HU9_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.59A 6hu9a-2jlpA:
undetectable		 6hu9a-2jlpA:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HU9_M_CUM601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.58A 6hu9m-2jlpA:
undetectable		 6hu9m-2jlpA:
16.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MKE_A_FK5A201_0
(PEPTIDYLPROLYL
ISOMERASE)		 1pbk FKBP25
(Homo
sapiens) 		8 / 12 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.40A 6mkeA-1pbkA:
18.1
6mkeD-1pbkA:
18.1		 6mkeA-1pbkA:
36.99
6mkeD-1pbkA:
36.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MKE_B_FK5B201_0
(PEPTIDYLPROLYL
ISOMERASE)		 1pbk FKBP25
(Homo
sapiens) 		8 / 12 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.40A 6mkeB-1pbkA:
18.1
6mkeC-1pbkA:
18.3		 6mkeB-1pbkA:
36.99
6mkeC-1pbkA:
36.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MKE_C_FK5C201_1
(PEPTIDYLPROLYL
ISOMERASE)		 1pbk FKBP25
(Homo
sapiens) 		8 / 10 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.33A 6mkeC-1pbkA:
18.3		 6mkeC-1pbkA:
36.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MKE_D_FK5D201_1
(PEPTIDYLPROLYL
ISOMERASE)		 1pbk FKBP25
(Homo
sapiens) 		8 / 10 TYR A 135
ASP A 146
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216
 RAP  A 225 (-3.9A)
RAP  A 225 (-3.0A)
RAP  A 225 (-3.5A)
RAP  A 225 (-3.9A)
RAP  A 225 (-3.4A)
RAP  A 225 (-4.6A)
RAP  A 225 ( 4.9A)
None
 0.39A 6mkeD-1pbkA:
18.1		 6mkeD-1pbkA:
36.99
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 3e23 UNCHARACTERIZED
PROTEIN RPA2492
(Rhodopseudomonas
palustris) 		4 / 7 ASP A 118
ARG A 117
TYR A 155
GLU A 147
 None
SO4  A 225 (-3.0A)
None
None
 1.34A 6mn5B-3e23A:
undetectable		 6mn5B-3e23A:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NKN_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.51A 6nknA-2jlpA:
undetectable		 6nknA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NKN_N_CUN602_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.49A 6nknN-2jlpA:
undetectable		 6nknN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMF_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.56A 6nmfA-2jlpA:
undetectable		 6nmfA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMF_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 7 HIS B  89
TYR B 117
HIS B  67
LEU B 371
 CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
CLA  B1225 ( 4.4A)
 1.18A 6nmfA-4rkuB:
1.3
6nmfC-4rkuB:
2.8
6nmfP-4rkuB:
2.8		 6nmfA-4rkuB:
22.74
6nmfC-4rkuB:
16.14
6nmfP-4rkuB:
16.14
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.
6NMF_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.60A 6nmfN-2jlpA:
undetectable		 6nmfN-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.58A 6nmpA-2jlpA:
undetectable		 6nmpA-2jlpA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_N_CUN601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens) 		3 / 3 HIS A  96
HIS A 113
HIS A  98
 CU  A 225 (-3.2A)
ZN  A 226 ( 3.1A)
CU  A 225 (-3.2A)
 0.54A 6nmpN-2jlpA:
undetectable		 6nmpN-2jlpA:
15.89