SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1qni'

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.
1AZM_A_AZMA262_1
(CARBONIC ANHYDRASE I)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 8 HIS A  80
HIS A 128
HIS A  79
HIS A 270
 CUZ  A 801 (-3.3A)
CUZ  A 801 (-3.1A)
CUZ  A 801 (-3.3A)
CUZ  A 801 (-3.3A)
 1.06A 1azmA-1qniA:
undetectable		 1azmA-1qniA:
16.18
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.
1E9Y_B_HAEB800_1
(UREASE SUBUNIT BETA)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 5 HIS A 270
HIS A 437
HIS A  79
HIS A 128
 CUZ  A 801 (-3.3A)
CUZ  A 801 (-3.0A)
CUZ  A 801 (-3.3A)
CUZ  A 801 (-3.1A)
 0.89A 1e9yB-1qniA:
undetectable		 1e9yB-1qniA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IBG_H_OBNH1_1
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN))		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 6 LEU A 272
PHE A 281
TYR A 194
VAL A 225
 None
 1.31A 1ibgH-1qniA:
0.0		 1ibgH-1qniA:
16.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IWK_A_CUA1598_0
(NITROUS OXIDE
REDUCTASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 4 HIS A 526
CYH A 561
CYH A 565
MET A 572
 CUA  A 701 (-3.1A)
CUA  A 701 (-2.2A)
CUA  A 701 (-2.2A)
CUA  A 701 (-2.4A)
 0.19A 2iwkA-1qniA:
62.7		 2iwkA-1qniA:
59.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IWK_A_CUA1599_0
(NITROUS OXIDE
REDUCTASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		3 / 3 CYH A 561
CYH A 565
HIS A 569
 CUA  A 701 (-2.2A)
CUA  A 701 (-2.2A)
CUA  A 701 (-3.0A)
 0.13A 2iwkA-1qniA:
62.7		 2iwkA-1qniA:
59.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IWK_B_CUB1598_0
(NITROUS OXIDE
REDUCTASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 4 HIS A 526
CYH A 561
CYH A 565
MET A 572
 CUA  A 701 (-3.1A)
CUA  A 701 (-2.2A)
CUA  A 701 (-2.2A)
CUA  A 701 (-2.4A)
 0.19A 2iwkB-1qniA:
62.8		 2iwkB-1qniA:
59.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IWK_B_CUB1599_0
(NITROUS OXIDE
REDUCTASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		3 / 3 CYH A 561
CYH A 565
HIS A 569
 CUA  A 701 (-2.2A)
CUA  A 701 (-2.2A)
CUA  A 701 (-3.0A)
 0.17A 2iwkB-1qniA:
62.8		 2iwkB-1qniA:
59.28
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.
2OPX_A_DXCA1002_0
(ALDEHYDE
DEHYDROGENASE A)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		3 / 3 GLY A  88
ARG A  89
TYR A 194
 None
 0.83A 2opxA-1qniA:
undetectable		 2opxA-1qniA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VUF_B_FUAB2002_1
(SERUM ALBUMIN)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 9 ILE A 170
ALA A 106
VAL A 105
CYH A 143
 None
 1.02A 2vufB-1qniA:
undetectable		 2vufB-1qniA:
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.
3DTU_B_CUB1004_0
(CYTOCHROME C OXIDASE
SUBUNIT 2)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 4 HIS A 526
CYH A 561
CYH A 565
MET A 572
 CUA  A 701 (-3.1A)
CUA  A 701 (-2.2A)
CUA  A 701 (-2.2A)
CUA  A 701 (-2.4A)
 0.44A 3dtuB-1qniA:
9.8		 3dtuB-1qniA:
17.93
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.
3DTU_B_CUB1022_0
(CYTOCHROME C OXIDASE
SUBUNIT 2)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		3 / 3 CYH A 561
CYH A 565
HIS A 569
 CUA  A 701 (-2.2A)
CUA  A 701 (-2.2A)
CUA  A 701 (-3.0A)
 0.23A 3dtuB-1qniA:
9.8		 3dtuB-1qniA:
17.93
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.
3DTU_D_CUD3_0
(CYTOCHROME C OXIDASE
SUBUNIT 2)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		3 / 3 CYH A 561
CYH A 565
HIS A 569
 CUA  A 701 (-2.2A)
CUA  A 701 (-2.2A)
CUA  A 701 (-3.0A)
 0.20A 3dtuD-1qniA:
9.3		 3dtuD-1qniA:
17.93
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.
3DTU_D_CUD4_0
(CYTOCHROME C OXIDASE
SUBUNIT 2)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 4 HIS A 526
CYH A 561
CYH A 565
MET A 572
 CUA  A 701 (-3.1A)
CUA  A 701 (-2.2A)
CUA  A 701 (-2.2A)
CUA  A 701 (-2.4A)
 0.44A 3dtuD-1qniA:
9.3		 3dtuD-1qniA:
17.93
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.
3EIG_A_MTXA200_2
(DIHYDROFOLATE
REDUCTASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 5 ASP A 245
ILE A 243
VAL A 124
THR A 119
 None
 1.20A 3eigA-1qniA:
undetectable		 3eigA-1qniA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA303_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 4 GLN A 371
GLN A 415
GLY A 430
HIS A 428
 None
 1.42A 3huoA-1qniA:
0.0		 3huoA-1qniA:
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.
3SUF_B_SUEB1201_3
(NS3 PROTEASE, NS4A
PROTEIN)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 5 SER A 201
PRO A 269
TYR A 204
VAL A 265
 None
 1.41A 3sufC-1qniA:
undetectable		 3sufC-1qniA:
16.18
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		5 / 7 GLY A 527
ASN A 562
TYR A 560
GLY A 574
THR A 501
 None
 1.36A 3tajA-1qniA:
undetectable		 3tajA-1qniA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V4T_A_ACTA504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		3 / 3 THR A 138
VAL A 141
GLU A 173
 None
 0.52A 3v4tA-1qniA:
undetectable
3v4tD-1qniA:
undetectable		 3v4tA-1qniA:
22.17
3v4tD-1qniA:
22.17
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.
3W6H_A_AZMA303_1
(CARBONIC ANHYDRASE 1)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 8 HIS A  80
HIS A 128
HIS A  79
HIS A 270
 CUZ  A 801 (-3.3A)
CUZ  A 801 (-3.1A)
CUZ  A 801 (-3.3A)
CUZ  A 801 (-3.3A)
 1.03A 3w6hA-1qniA:
undetectable		 3w6hA-1qniA:
16.18
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.
4A97_C_ZPCC1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		5 / 12 VAL A 105
ILE A 170
ILE A 440
GLU A 383
HIS A 128
 None
None
None
None
CUZ  A 801 (-3.1A)
 1.25A 4a97B-1qniA:
0.0
4a97C-1qniA:
0.0		 4a97B-1qniA:
18.04
4a97C-1qniA:
18.04
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.
4H9M_A_HAEA929_1
(UREASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 5 HIS A 270
HIS A 437
HIS A  79
HIS A 128
 CUZ  A 801 (-3.3A)
CUZ  A 801 (-3.0A)
CUZ  A 801 (-3.3A)
CUZ  A 801 (-3.1A)
 0.76A 4h9mA-1qniA:
undetectable		 4h9mA-1qniA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 5 GLU A 316
ARG A 310
PRO A 266
SER A 288
 None
 1.34A 4k17B-1qniA:
0.0		 4k17B-1qniA:
22.64
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.
4LRH_A_FOLA301_1
(FOLATE RECEPTOR
ALPHA)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		3 / 3 ASP A 388
TRP A  24
SER A 384
 None
 1.04A 4lrhA-1qniA:
0.0		 4lrhA-1qniA:
15.81
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.
4OK1_A_198A1001_1
(ANDROGEN RECEPTOR)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		5 / 12 LEU A 299
LEU A 302
VAL A 223
ILE A 231
VAL A 181
 None
 1.17A 4ok1A-1qniA:
0.0		 4ok1A-1qniA:
17.80
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.
4P6S_A_DAHA305_1
(TYROSINASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 7 HIS A 437
HIS A  80
ASN A  98
HIS A 128
 CUZ  A 801 (-3.0A)
CUZ  A 801 (-3.3A)
None
CUZ  A 801 (-3.1A)
 0.88A 4p6sA-1qniA:
undetectable		 4p6sA-1qniA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P6S_B_DAHB305_1
(TYROSINASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 7 HIS A 437
HIS A  80
ASN A  98
HIS A 128
 CUZ  A 801 (-3.0A)
CUZ  A 801 (-3.3A)
None
CUZ  A 801 (-3.1A)
 0.94A 4p6sB-1qniA:
undetectable		 4p6sB-1qniA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YO9_B_ACTB401_0
(3C-LIKE PROTEINASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		3 / 3 ARG A 109
ASP A 111
TYR A 453
 None
 0.86A 4yo9B-1qniA:
0.4		 4yo9B-1qniA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3A_A_HQEA303_1
(TYROSINASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 7 HIS A 437
HIS A  80
ASN A  98
HIS A 128
 CUZ  A 801 (-3.0A)
CUZ  A 801 (-3.3A)
None
CUZ  A 801 (-3.1A)
 0.89A 5i3aA-1qniA:
undetectable		 5i3aA-1qniA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3A_B_HQEB304_1
(TYROSINASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 7 HIS A 437
HIS A  80
ASN A  98
HIS A 128
 CUZ  A 801 (-3.0A)
CUZ  A 801 (-3.3A)
None
CUZ  A 801 (-3.1A)
 0.91A 5i3aB-1qniA:
undetectable		 5i3aB-1qniA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3B_A_HQEA303_1
(TYROSINASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 7 HIS A 437
HIS A  80
ASN A  98
HIS A 128
 CUZ  A 801 (-3.0A)
CUZ  A 801 (-3.3A)
None
CUZ  A 801 (-3.1A)
 0.87A 5i3bA-1qniA:
undetectable		 5i3bA-1qniA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5INZ_D_DVAD2_0
(THETA DEFENSIN-2,
D-PEPTIDE
THETA DEFENSIN-2,
L-PEPTIDE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 4 GLY A  26
CYH A  78
ARG A  33
GLY A  30
 None
 1.32A 5inzA-1qniA:
undetectable
5inzC-1qniA:
undetectable
5inzD-1qniA:
undetectable		 5inzA-1qniA:
2.93
5inzC-1qniA:
2.93
5inzD-1qniA:
2.93
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.
5IZF_E_AZ1E2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
6J9-ZEU-DAR-ACA-DAR-
NH2)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 7 GLY A 271
GLY A 285
SER A 288
LEU A 319
 CL  A 902 (-3.6A)
None
None
None
 0.72A 5izfA-1qniA:
undetectable		 5izfA-1qniA:
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.
5M8R_A_MMSA511_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 7 HIS A 437
HIS A  80
ASN A  98
HIS A 128
 CUZ  A 801 (-3.0A)
CUZ  A 801 (-3.3A)
None
CUZ  A 801 (-3.1A)
 0.94A 5m8rA-1qniA:
undetectable		 5m8rA-1qniA:
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.
5M8R_B_MMSB514_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 8 HIS A 437
HIS A  80
ASN A  98
HIS A 128
 CUZ  A 801 (-3.0A)
CUZ  A 801 (-3.3A)
None
CUZ  A 801 (-3.1A)
 0.95A 5m8rB-1qniA:
undetectable		 5m8rB-1qniA:
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.
5M8R_D_MMSD509_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 8 HIS A 437
HIS A  80
ASN A  98
HIS A 128
 CUZ  A 801 (-3.0A)
CUZ  A 801 (-3.3A)
None
CUZ  A 801 (-3.1A)
 0.95A 5m8rD-1qniA:
undetectable		 5m8rD-1qniA:
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.
5MZR_A_PFLA412_1
(PROTON-GATED ION
CHANNEL)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		5 / 10 PRO A 317
ILE A 353
ILE A 349
VAL A 314
ILE A 282
 None
 1.45A 5mzrA-1qniA:
undetectable		 5mzrA-1qniA:
11.40
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.
5MZR_C_PFLC409_1
(PROTON-GATED ION
CHANNEL)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		5 / 10 PRO A 317
ILE A 353
ILE A 349
VAL A 314
ILE A 282
 None
 1.41A 5mzrC-1qniA:
undetectable		 5mzrC-1qniA:
11.40
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.
5OEX_A_CUA601_0
(THIOCYANATE
DEHYDROGENASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		3 / 3 HIS A 128
ASP A 188
HIS A 270
 CUZ  A 801 (-3.1A)
None
CUZ  A 801 (-3.3A)
 0.76A 5oexA-1qniA:
24.8		 5oexA-1qniA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_A_CUA601_0
(THIOCYANATE
DEHYDROGENASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		3 / 3 HIS A 270
ASP A 188
HIS A 128
 CUZ  A 801 (-3.3A)
None
CUZ  A 801 (-3.1A)
 0.74A 5oexA-1qniA:
24.8		 5oexA-1qniA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_A_CUA602_0
(THIOCYANATE
DEHYDROGENASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		3 / 3 LYS A 100
HIS A 128
HIS A  79
 None
CUZ  A 801 (-3.1A)
CUZ  A 801 (-3.3A)
 0.91A 5oexA-1qniA:
24.8		 5oexA-1qniA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_A_CUA603_0
(THIOCYANATE
DEHYDROGENASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 4 LYS A 100
HIS A 128
HIS A  80
HIS A  79
 None
CUZ  A 801 (-3.1A)
CUZ  A 801 (-3.3A)
CUZ  A 801 (-3.3A)
 1.21A 5oexA-1qniA:
24.8		 5oexA-1qniA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_A_CUA604_0
(THIOCYANATE
DEHYDROGENASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		3 / 3 HIS A 376
HIS A 437
HIS A  79
 CUZ  A 801 (-3.3A)
CUZ  A 801 (-3.0A)
CUZ  A 801 (-3.3A)
 0.46A 5oexA-1qniA:
24.8		 5oexA-1qniA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_B_CUB601_0
(THIOCYANATE
DEHYDROGENASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		3 / 3 HIS A 128
ASP A 188
HIS A 270
 CUZ  A 801 (-3.1A)
None
CUZ  A 801 (-3.3A)
 0.69A 5oexB-1qniA:
6.2		 5oexB-1qniA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_B_CUB602_0
(THIOCYANATE
DEHYDROGENASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		3 / 3 LYS A 100
HIS A 128
HIS A  79
 None
CUZ  A 801 (-3.1A)
CUZ  A 801 (-3.3A)
 1.02A 5oexB-1qniA:
6.2		 5oexB-1qniA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_B_CUB603_0
(THIOCYANATE
DEHYDROGENASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 4 LYS A 100
HIS A 128
HIS A  80
HIS A  79
 None
CUZ  A 801 (-3.1A)
CUZ  A 801 (-3.3A)
CUZ  A 801 (-3.3A)
 1.24A 5oexB-1qniA:
6.2		 5oexB-1qniA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_C_CUC601_0
(THIOCYANATE
DEHYDROGENASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		3 / 3 HIS A 128
ASP A 188
HIS A 270
 CUZ  A 801 (-3.1A)
None
CUZ  A 801 (-3.3A)
 0.64A 5oexC-1qniA:
4.9		 5oexC-1qniA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_C_CUC601_0
(THIOCYANATE
DEHYDROGENASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		3 / 3 HIS A 270
ASP A 188
HIS A 128
 CUZ  A 801 (-3.3A)
None
CUZ  A 801 (-3.1A)
 0.76A 5oexC-1qniA:
4.9		 5oexC-1qniA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_C_CUC602_0
(THIOCYANATE
DEHYDROGENASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 4 LYS A 100
HIS A 128
HIS A  80
HIS A  79
 None
CUZ  A 801 (-3.1A)
CUZ  A 801 (-3.3A)
CUZ  A 801 (-3.3A)
 1.24A 5oexC-1qniA:
4.9		 5oexC-1qniA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_C_CUC603_0
(THIOCYANATE
DEHYDROGENASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		3 / 3 LYS A 100
HIS A 128
HIS A  79
 None
CUZ  A 801 (-3.1A)
CUZ  A 801 (-3.3A)
 0.98A 5oexC-1qniA:
4.9		 5oexC-1qniA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_D_CUD601_0
(THIOCYANATE
DEHYDROGENASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		3 / 3 HIS A 128
ASP A 188
HIS A 270
 CUZ  A 801 (-3.1A)
None
CUZ  A 801 (-3.3A)
 0.65A 5oexD-1qniA:
5.3		 5oexD-1qniA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_D_CUD601_0
(THIOCYANATE
DEHYDROGENASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		3 / 3 HIS A 270
ASP A 188
HIS A 128
 CUZ  A 801 (-3.3A)
None
CUZ  A 801 (-3.1A)
 0.76A 5oexD-1qniA:
5.3		 5oexD-1qniA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_D_CUD603_0
(THIOCYANATE
DEHYDROGENASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		3 / 3 LYS A 100
HIS A 128
HIS A  79
 None
CUZ  A 801 (-3.1A)
CUZ  A 801 (-3.3A)
 0.91A 5oexD-1qniA:
5.3		 5oexD-1qniA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_D_CUD604_0
(THIOCYANATE
DEHYDROGENASE)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 4 LYS A 100
HIS A 128
HIS A  80
HIS A  79
 None
CUZ  A 801 (-3.1A)
CUZ  A 801 (-3.3A)
CUZ  A 801 (-3.3A)
 1.19A 5oexD-1qniA:
5.3		 5oexD-1qniA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		5 / 11 ALA A 379
TYR A 194
TYR A  90
ASP A 191
ALA A 387
 None
 1.27A 6dk1B-1qniA:
0.0		 6dk1B-1qniA:
15.44
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 1qni NITROUS-OXIDE
REDUCTASE
(Marinobacter
hydrocarbonoclas
ticus) 		5 / 11 ALA A 379
TYR A 194
TYR A  90
ASP A 191
ALA A 387
 None
 1.23A 6dk1C-1qniA:
0.0		 6dk1C-1qniA:
15.44