SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ayf'

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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AV2_C_DVAC6_0
(GRAMICIDIN A)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		3 / 3 ALA A 626
VAL A 624
TRP A 621
 HEM  A 802 (-3.5A)
LOP  A 810 (-4.9A)
LOP  A 810 (-3.6A)
 0.82A 1av2C-3ayfA:
undetectable
1av2D-3ayfA:
undetectable		 1av2C-3ayfA:
3.17
1av2D-3ayfA:
3.17
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.
1FOH_C_IPHC802_0
(PHENOL HYDROXYLASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 GLY A 411
VAL A 412
ILE A 350
TYR A 354
GLY A 407
 None
 1.45A 1fohC-3ayfA:
0.9		 1fohC-3ayfA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FOH_D_IPHD802_0
(PHENOL HYDROXYLASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 GLY A 411
VAL A 412
ILE A 350
TYR A 354
GLY A 407
 None
 1.44A 1fohD-3ayfA:
undetectable		 1fohD-3ayfA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IE9_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 4 LEU A 393
ILE A 439
ARG A 435
TRP A 437
 None
 1.30A 1ie9A-3ayfA:
0.0		 1ie9A-3ayfA:
15.94
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.
1PN0_C_IPHC6032_0
(PHENOL
2-MONOOXYGENASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 GLY A 411
VAL A 412
ILE A 350
TYR A 354
GLY A 407
 None
 1.45A 1pn0C-3ayfA:
0.9		 1pn0C-3ayfA:
20.84
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.
1PN0_D_IPHD6042_0
(PHENOL
2-MONOOXYGENASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 GLY A 411
VAL A 412
ILE A 350
TYR A 354
GLY A 407
 None
 1.46A 1pn0D-3ayfA:
undetectable		 1pn0D-3ayfA:
20.84
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.
1SDT_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 LEU A 346
GLY A 424
GLY A 407
ILE A 406
ILE A 350
 None
 0.88A 1sdtA-3ayfA:
undetectable		 1sdtA-3ayfA:
9.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDU_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 11 LEU A  88
ILE A  70
GLY A  71
GLY A  72
ILE A 210
 None
 1.04A 1sduA-3ayfA:
undetectable		 1sduA-3ayfA:
9.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDV_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 LEU A 346
GLY A 424
GLY A 407
ILE A 406
ILE A 350
 None
 0.87A 1sdvA-3ayfA:
undetectable		 1sdvA-3ayfA:
9.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T7J_A_478A200_1
(POL POLYPROTEIN)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 11 LEU A  88
GLY A  72
ILE A  69
THR A  99
VAL A  87
 None
 0.82A 1t7jA-3ayfA:
undetectable		 1t7jA-3ayfA:
9.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W5U_C_DVAC6_0
(GRAMICIDIN D)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		3 / 3 ALA A 626
VAL A 624
TRP A 621
 HEM  A 802 (-3.5A)
LOP  A 810 (-4.9A)
LOP  A 810 (-3.6A)
 0.81A 1w5uC-3ayfA:
undetectable
1w5uD-3ayfA:
undetectable		 1w5uC-3ayfA:
3.17
1w5uD-3ayfA:
3.17
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.
1WSV_A_THHA3001_1
(AMINOMETHYLTRANSFERA
SE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		3 / 3 ASP A 125
GLU A 108
TYR A 162
 None
 0.72A 1wsvA-3ayfA:
undetectable		 1wsvA-3ayfA:
17.78
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.
1YAJ_F_BEZF5023_0
(CES1 PROTEIN)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 6 LEU A 672
SER A 313
LEU A 686
ILE A 665
 None
 0.69A 1yajF-3ayfA:
undetectable		 1yajF-3ayfA:
21.69
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.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 TYR A 660
GLY A 630
GLY A 625
ALA A 655
ALA A 654
 HEM  A 802 (-4.1A)
HEM  A 802 (-4.0A)
None
HEM  A 802 (-3.4A)
None
 1.06A 2ej3B-3ayfA:
undetectable		 2ej3B-3ayfA:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IZQ_B_DVAB6_0
(GRAMICIDIN D)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		3 / 3 TRP A 621
ALA A 626
VAL A 624
 LOP  A 810 (-3.6A)
HEM  A 802 (-3.5A)
LOP  A 810 (-4.9A)
 0.85A 2izqA-3ayfA:
undetectable
2izqB-3ayfA:
undetectable		 2izqA-3ayfA:
3.17
2izqB-3ayfA:
3.17
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.
2JJP_A_KLNA413_1
(CYTOCHROME P450
113A1)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 HIS A 653
LEU A 326
ALA A 327
PHE A 646
GLN A 645
 HEM  A 801 (-3.3A)
HEM  A 801 (-4.2A)
HEM  A 801 (-3.9A)
None
None
 1.26A 2jjpA-3ayfA:
1.2		 2jjpA-3ayfA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JST_A_HLTA101_1
(FOUR-ALPHA-HELIX
BUNDLE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 5 ALA A 654
TRP A 621
LEU A 623
ALA A 655
 None
LOP  A 810 (-3.6A)
None
HEM  A 802 (-3.4A)
 1.31A 2jstA-3ayfA:
4.6
2jstB-3ayfA:
4.6		 2jstA-3ayfA:
5.53
2jstB-3ayfA:
5.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QX6_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 6 TRP A 428
GLY A  91
GLY A  80
PHE A 496
 None
CA  A 804 (-4.0A)
None
None
 1.01A 2qx6A-3ayfA:
undetectable
2qx6B-3ayfA:
undetectable		 2qx6A-3ayfA:
13.84
2qx6B-3ayfA:
13.84
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.
2R5P_B_MK1B902_1
(PROTEASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 LEU A  88
ILE A  70
GLY A  71
GLY A  72
ILE A 210
 None
 1.07A 2r5pA-3ayfA:
undetectable		 2r5pA-3ayfA:
8.80
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.
2V0M_B_KLNB1499_1
(CYTOCHROME P450 3A4)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 7 PHE A 361
ILE A 360
ILE A 506
GLY A 444
 None
 0.75A 2v0mB-3ayfA:
undetectable		 2v0mB-3ayfA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V41_H_BEZH1222_0
(PEROXIREDOXIN 6.)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 8 PRO A 376
THR A 299
PRO A 300
SER A 301
 None
 1.02A 2v41G-3ayfA:
undetectable
2v41H-3ayfA:
undetectable		 2v41G-3ayfA:
14.73
2v41H-3ayfA:
14.73
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.
2VUF_A_FUAA2002_1
(SERUM ALBUMIN)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 9 ILE A 374
PHE A 518
ALA A 519
VAL A 522
 None
 0.52A 2vufA-3ayfA:
4.7		 2vufA-3ayfA:
21.67
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.
2ZLC_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 5 LEU A 393
ILE A 439
ARG A 435
TRP A 437
 None
 1.35A 2zlcA-3ayfA:
undetectable		 2zlcA-3ayfA:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_A_ACRA5044_2
(GLUCOSYLTRANSFERASE-
SI)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		3 / 3 LEU A 325
TRP A 409
TYR A 343
 None
 0.98A 3aicA-3ayfA:
undetectable		 3aicA-3ayfA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_B_ACRB5044_2
(GLUCOSYLTRANSFERASE-
SI)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		3 / 3 LEU A 325
TRP A 409
TYR A 343
 None
 1.01A 3aicB-3ayfA:
undetectable		 3aicB-3ayfA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_E_ACRE5044_2
(GLUCOSYLTRANSFERASE-
SI)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		3 / 3 LEU A 325
TRP A 409
TYR A 343
 None
 0.99A 3aicE-3ayfA:
undetectable		 3aicE-3ayfA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_F_ACRF5044_2
(GLUCOSYLTRANSFERASE-
SI)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		3 / 3 LEU A 325
TRP A 409
TYR A 343
 None
 0.99A 3aicF-3ayfA:
undetectable		 3aicF-3ayfA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_H_ACRH5044_2
(GLUCOSYLTRANSFERASE-
SI)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		3 / 3 LEU A 325
TRP A 409
TYR A 343
 None
 0.97A 3aicH-3ayfA:
undetectable		 3aicH-3ayfA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_C_NILC600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 LEU A 460
VAL A 456
VAL A 521
ILE A 374
VAL A 517
 None
 1.20A 3cs9C-3ayfA:
undetectable		 3cs9C-3ayfA:
16.10
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.
3FZG_A_SAMA300_0
(16S RRNA METHYLASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 SER A  92
GLY A 427
ILE A 431
LEU A  81
GLN A 357
 HEM  A 801 (-3.5A)
None
None
None
None
 1.21A 3fzgA-3ayfA:
undetectable		 3fzgA-3ayfA:
12.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H9U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 LEU A 220
THR A  99
THR A 217
GLY A  89
HIS A  90
 None
 1.23A 3h9uC-3ayfA:
undetectable		 3h9uC-3ayfA:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H9U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 LEU A 220
THR A  99
THR A 217
GLY A  89
HIS A  90
 None
 1.24A 3h9uD-3ayfA:
undetectable		 3h9uD-3ayfA:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KM6_A_EAAA222_1
(GLUTATHIONE
S-TRANSFERASE P)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 TYR A  98
GLY A  85
VAL A  75
GLN A 206
GLY A  80
 None
 1.20A 3km6A-3ayfA:
undetectable		 3km6A-3ayfA:
14.87
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.
3KMO_A_EAAA214_1
(GLUTATHIONE
S-TRANSFERASE P)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 TYR A  98
GLY A  85
VAL A  75
GLN A 206
GLY A  80
 None
 1.17A 3kmoA-3ayfA:
undetectable		 3kmoA-3ayfA:
14.87
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.
3L8L_A_DVAA6_0
(GRAMICIDIN D)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		3 / 3 ALA A 626
VAL A 624
TRP A 621
 HEM  A 802 (-3.5A)
LOP  A 810 (-4.9A)
LOP  A 810 (-3.6A)
 0.81A 3l8lA-3ayfA:
undetectable
3l8lB-3ayfA:
undetectable		 3l8lA-3ayfA:
3.17
3l8lB-3ayfA:
1.88
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.
3L8L_C_DVAC6_0
(GRAMICIDIN D)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		3 / 3 ALA A 626
VAL A 624
TRP A 621
 HEM  A 802 (-3.5A)
LOP  A 810 (-4.9A)
LOP  A 810 (-3.6A)
 0.84A 3l8lC-3ayfA:
undetectable
3l8lD-3ayfA:
undetectable		 3l8lC-3ayfA:
3.17
3l8lD-3ayfA:
1.88
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.
3LOQ_A_ACTA278_0
(UNIVERSAL STRESS
PROTEIN)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		3 / 3 SER A 578
GLY A 574
SER A 257
 None
 0.55A 3loqA-3ayfA:
undetectable		 3loqA-3ayfA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ONN_A_ACTA271_0
(PROTEIN SSM1)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 5 GLY A 163
LYS A 166
GLU A 165
GLY A 109
 None
 1.03A 3onnA-3ayfA:
undetectable		 3onnA-3ayfA:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PP1_A_ACTA590_0
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 5 GLU A 715
LEU A 711
GLN A 645
GLY A 709
 None
 1.32A 3pp1A-3ayfA:
undetectable		 3pp1A-3ayfA:
17.73
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.
3R55_A_PZAA598_0
(LACTOPEROXIDASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		3 / 3 GLU A 715
PHE A 729
GLN A 645
 None
 1.00A 3r55A-3ayfA:
1.0		 3r55A-3ayfA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VW1_D_CVID301_1
(PUTATIVE REGULATORY
PROTEIN)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		3 / 3 TYR A 330
MET A 656
LEU A 356
 HEM  A 801 (-4.6A)
HEM  A 801 (-4.0A)
HEM  A 801 (-4.8A)
 0.81A 3vw1D-3ayfA:
undetectable		 3vw1D-3ayfA:
14.01
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.
4DCM_A_SAMA401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 11 GLY A 411
GLY A 407
ILE A 350
GLU A 419
ASN A 418
 None
 1.05A 4dcmA-3ayfA:
undetectable		 4dcmA-3ayfA:
17.89
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.
4F4D_B_CHDB505_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 LEU A 473
LEU A 469
ILE A 374
SER A 537
THR A 534
 None
 1.25A 4f4dB-3ayfA:
undetectable		 4f4dB-3ayfA:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HFP_B_15UB402_1
(PROTHROMBIN)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 TRP A 510
LEU A 433
ALA A 364
ILE A 440
GLY A 402
 None
 1.11A 4hfpB-3ayfA:
undetectable		 4hfpB-3ayfA:
13.70
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.
4KLR_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 8 LEU A 587
SER A 552
VAL A 628
GLY A 627
 None
None
None
HEM  A 802 ( 4.8A)
 0.95A 4klrB-3ayfA:
undetectable		 4klrB-3ayfA:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LB2_B_DM5B601_1
(SERUM ALBUMIN)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 LEU A 532
VAL A 528
TYR A 608
ILE A 291
TYR A 670
 None
 1.45A 4lb2B-3ayfA:
0.0		 4lb2B-3ayfA:
21.67
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.
4LB2_B_DM5B601_1
(SERUM ALBUMIN)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 LEU A 532
VAL A 533
TYR A 608
ILE A 291
TYR A 670
 None
 1.11A 4lb2B-3ayfA:
0.0		 4lb2B-3ayfA:
21.67
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.
4MM5_A_SREA603_1
(TRANSPORTER)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 VAL A 667
ALA A 666
TYR A 670
GLY A 306
PHE A 309
 None
 1.21A 4mm5A-3ayfA:
undetectable		 4mm5A-3ayfA:
22.43
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.
4MMD_A_29EA603_1
(TRANSPORTER)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 10 VAL A 667
ALA A 666
TYR A 670
GLY A 306
PHE A 309
 None
 1.25A 4mmdA-3ayfA:
undetectable		 4mmdA-3ayfA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N48_A_SAMA601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 GLY A 411
GLY A 407
ASN A 413
GLY A  80
LEU A  81
 None
 1.24A 4n48A-3ayfA:
undetectable		 4n48A-3ayfA:
19.82
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.
4P6X_G_HCYG900_2
(GLUCOCORTICOID
RECEPTOR)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		3 / 3 LEU A 686
MET A 662
TYR A 608
 None
 0.56A 4p6xG-3ayfA:
undetectable		 4p6xG-3ayfA:
16.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QOI_A_ML1A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 8 PHE A  76
TYR A 171
PHE A 214
GLY A  95
 None
 0.99A 4qoiA-3ayfA:
undetectable
4qoiB-3ayfA:
undetectable		 4qoiA-3ayfA:
13.97
4qoiB-3ayfA:
13.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QRC_A_0LIA802_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ALA A 375
VAL A 456
ALA A 477
PHE A 518
LEU A 472
 None
 0.94A 4qrcA-3ayfA:
undetectable		 4qrcA-3ayfA:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XJE_A_TOYA202_1
(AADB)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 8 ASP A  97
ILE A 507
ASP A 500
TYR A 561
 None
 1.00A 4xjeA-3ayfA:
undetectable		 4xjeA-3ayfA:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A1R_A_STRA600_1
(CYTOCHROME P450 3A4)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 5 PHE A 496
PHE A 214
PHE A 213
VAL A  87
 None
 0.93A 5a1rA-3ayfA:
undetectable		 5a1rA-3ayfA:
21.02
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.
5D4U_C_SAMC301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 GLY A 455
LEU A 473
GLY A 371
ILE A 374
GLY A 387
 None
 1.03A 5d4uC-3ayfA:
undetectable		 5d4uC-3ayfA:
16.62
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.
5D4U_D_SAMD301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 GLY A 455
LEU A 473
GLY A 371
ILE A 374
GLY A 387
 None
 1.00A 5d4uD-3ayfA:
undetectable		 5d4uD-3ayfA:
16.62
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.
5DZK_T_BEZT801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 8 PHE A 546
ALA A 541
LEU A  22
LEU A  26
 None
None
BOG  A 806 (-4.7A)
None
 1.20A 5dzkF-3ayfA:
undetectable
5dzkT-3ayfA:
undetectable		 5dzkF-3ayfA:
14.08
5dzkT-3ayfA:
5.26
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.
5IWU_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 6 GLY A 652
ASP A 500
ILE A 431
TYR A  93
 HEM  A 802 ( 3.9A)
None
None
HEM  A 801 ( 3.9A)
 1.11A 5iwuA-3ayfA:
undetectable		 5iwuA-3ayfA:
16.96
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.
5KSG_B_NIZB809_1
(CATALASE-PEROXIDASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 VAL A 582
GLY A 551
SER A 552
LEU A 549
THR A 547
 None
None
None
None
BOG  A 806 (-4.0A)
 1.35A 5ksgB-3ayfA:
2.0		 5ksgB-3ayfA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KSN_B_NIZB809_1
(CATALASE-PEROXIDASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 VAL A 582
GLY A 551
SER A 552
LEU A 549
THR A 547
 None
None
None
None
BOG  A 806 (-4.0A)
 1.37A 5ksnB-3ayfA:
1.7		 5ksnB-3ayfA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KT8_B_NIZB809_1
(CATALASE-PEROXIDASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 VAL A 582
GLY A 551
SER A 552
LEU A 549
THR A 547
 None
None
None
None
BOG  A 806 (-4.0A)
 1.36A 5kt8B-3ayfA:
1.5		 5kt8B-3ayfA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NOO_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 6 TYR A 354
LEU A 326
GLY A 323
PHE A 322
 None
HEM  A 801 (-4.2A)
HEM  A 801 (-3.5A)
None
 0.97A 5nooC-3ayfA:
undetectable		 5nooC-3ayfA:
16.81
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.
5SXS_B_NIZB806_1
(CATALASE-PEROXIDASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 VAL A 582
GLY A 551
SER A 552
LEU A 549
THR A 547
 None
None
None
None
BOG  A 806 (-4.0A)
 1.37A 5sxsB-3ayfA:
1.7		 5sxsB-3ayfA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5SYI_B_NIZB805_1
(CATALASE-PEROXIDASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 VAL A 582
GLY A 551
SER A 552
LEU A 549
THR A 547
 None
None
None
None
BOG  A 806 (-4.0A)
 1.36A 5syiB-3ayfA:
0.0		 5syiB-3ayfA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UXD_B_ZITB501_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E MPHH)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 LEU A 530
LEU A 542
PHE A 663
ALA A 666
TYR A 670
 None
 0.98A 5uxdB-3ayfA:
2.7		 5uxdB-3ayfA:
16.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7P_C_CHDC401_0
(BILE SALT HYDROLASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 8 LEU A 460
PHE A 482
ALA A 477
LEU A 449
 None
LOP  A 809 (-4.2A)
None
None
 0.83A 5y7pC-3ayfA:
undetectable		 5y7pC-3ayfA:
18.67
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.
6CDQ_A_NIZA809_1
(CATALASE-PEROXIDASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 VAL A 582
GLY A 551
SER A 552
LEU A 549
THR A 547
 None
None
None
None
BOG  A 806 (-4.0A)
 1.40A 6cdqA-3ayfA:
undetectable		 6cdqA-3ayfA:
7.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDQ_B_NIZB808_1
(CATALASE-PEROXIDASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 VAL A 582
GLY A 551
SER A 552
LEU A 549
THR A 547
 None
None
None
None
BOG  A 806 (-4.0A)
 1.39A 6cdqB-3ayfA:
2.2		 6cdqB-3ayfA:
7.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDU_A_EY4A502_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 7 ALA A 100
THR A  99
TYR A  98
GLN A 712
 None
 0.63A 6cduA-3ayfA:
5.2
6cduE-3ayfA:
5.2		 6cduA-3ayfA:
18.31
6cduE-3ayfA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDU_E_EY4E500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 8 GLN A 712
ALA A 100
THR A  99
TYR A  98
 None
 0.66A 6cduD-3ayfA:
5.2
6cduE-3ayfA:
5.1		 6cduD-3ayfA:
18.31
6cduE-3ayfA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDU_H_EY4H500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 7 GLN A 712
ALA A 100
THR A  99
TYR A  98
 None
 0.67A 6cduH-3ayfA:
5.2
6cduI-3ayfA:
5.3		 6cduH-3ayfA:
18.31
6cduI-3ayfA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_A_ADNA502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 THR A  99
THR A 217
ASP A 500
GLY A  89
HIS A  90
 None
 1.30A 6exiA-3ayfA:
undetectable		 6exiA-3ayfA:
9.09
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.
6EXI_D_ADND502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 THR A  99
THR A 217
ASP A 500
GLY A  89
HIS A  90
 None
 1.32A 6exiD-3ayfA:
undetectable		 6exiD-3ayfA:
9.09
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.
6GIQ_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		3 / 3 HIS A 508
HIS A 559
HIS A 560
 ZN  A 803 (-3.1A)
ZN  A 803 ( 3.3A)
ZN  A 803 (-3.2A)
 0.51A 6giqa-3ayfA:
21.9		 6giqa-3ayfA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HU9_H_PCFH604_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 8 GLY A 434
PHE A 421
GLY A  80
ALA A  74
 None
 0.73A 6hu9H-3ayfA:
undetectable
6hu9e-3ayfA:
undetectable		 6hu9H-3ayfA:
7.27
6hu9e-3ayfA:
10.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NJ9_K_SAMK500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 12 GLY A 424
ASP A  83
GLY A  80
GLY A 427
ALA A  74
 None
 0.89A 6nj9K-3ayfA:
undetectable		 6nj9K-3ayfA:
18.46