SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1qgu'

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.
1BX4_A_ADNA355_1
(PROTEIN (ADENOSINE
KINASE))		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		5 / 12 GLY A 420
ALA A 375
GLY A 376
ALA A 374
ILE A 372
 None
 0.90A 1bx4A-1qguA:
2.7		 1bx4A-1qguA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IOL_A_ESTA400_1
(ESTROGENIC 17-BETA
HYDROXYSTEROID
DEHYDROGENASE)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		5 / 11 SER A 107
VAL A 102
GLY A 101
TYR A  99
GLY A 104
 None
None
MG  A3001 ( 4.1A)
None
None
 1.33A 1iolA-1qguA:
2.9		 1iolA-1qguA:
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.
1JGS_A_SALA256_1
(MULTIPLE ANTIBIOTIC
RESISTANCE PROTEIN
MARR)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		4 / 7 VAL A 434
THR A 464
LEU A 465
VAL A 349
 None
 0.92A 1jgsA-1qguA:
undetectable		 1jgsA-1qguA:
15.14
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.
1P2Y_A_NCTA440_1
(CYTOCHROME P450-CAM)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		4 / 7 LEU A 350
GLY A 420
ILE A 362
VAL A 361
 None
 0.81A 1p2yA-1qguA:
undetectable		 1p2yA-1qguA:
22.12
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.
1ZGY_A_BRLA503_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		4 / 5 ILE A  74
ILE A 196
ILE A 205
MET A 260
 None
 0.83A 1zgyA-1qguA:
0.0		 1zgyA-1qguA:
21.21
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.
2KCE_A_D16A566_2
(THYMIDYLATE SYNTHASE)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		3 / 3 HIS A 449
ILE A 303
LEU A 240
 None
 0.54A 2kceA-1qguA:
undetectable		 2kceA-1qguA:
19.10
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.
2OXT_B_SAMB300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		4 / 5 SER A 191
HIS A 360
ASP A 391
ASP A 383
 None
 1.04A 2oxtB-1qguA:
undetectable		 2oxtB-1qguA:
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.
2WEK_A_DIFA1373_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		4 / 8 ASN A  48
SER A  47
VAL A 188
TYR A 385
 EDO  A2780 (-3.7A)
None
None
None
 1.20A 2wekA-1qguA:
2.2		 2wekA-1qguA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WEK_B_DIFB1373_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		4 / 8 ASN A  48
SER A  47
VAL A 188
TYR A 385
 EDO  A2780 (-3.7A)
None
None
None
 1.20A 2wekB-1qguA:
undetectable		 2wekB-1qguA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X7H_A_PFNA1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		4 / 6 SER A  81
LYS A  67
TYR A  63
CYH A  61
 None
None
CLF  A 505 (-4.8A)
CLF  A 505 (-2.4A)
 1.40A 2x7hA-1qguA:
2.2		 2x7hA-1qguA:
21.84
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.
3B9L_A_AZZA1010_1
(SERUM ALBUMIN)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		4 / 8 LEU A 465
TYR A 365
ARG A 437
GLY A 420
 None
 0.93A 3b9lA-1qguA:
0.0		 3b9lA-1qguA:
21.15
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.
3BEX_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		5 / 11 GLY A 376
ILE A 362
THR A 396
LEU A 392
THR A 388
 None
 1.03A 3bexC-1qguA:
undetectable
3bexD-1qguA:
0.8		 3bexC-1qguA:
19.17
3bexD-1qguA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BEX_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		5 / 11 THR A 396
LEU A 392
THR A 388
GLY A 376
ILE A 362
 None
 1.03A 3bexE-1qguA:
1.0
3bexF-1qguA:
2.2		 3bexE-1qguA:
19.17
3bexF-1qguA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		5 / 11 GLY A 376
ILE A 362
THR A 396
LEU A 392
THR A 388
 None
 1.04A 3bf1A-1qguA:
undetectable
3bf1B-1qguA:
undetectable		 3bf1A-1qguA:
19.17
3bf1B-1qguA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		5 / 12 THR A 396
LEU A 392
THR A 388
GLY A 376
ILE A 362
 None
 1.02A 3bf1A-1qguA:
undetectable
3bf1B-1qguA:
undetectable		 3bf1A-1qguA:
19.17
3bf1B-1qguA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		5 / 11 GLY A 376
ILE A 362
THR A 396
LEU A 392
THR A 388
 None
 1.05A 3bf1C-1qguA:
0.8
3bf1D-1qguA:
2.3		 3bf1C-1qguA:
19.17
3bf1D-1qguA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		5 / 11 THR A 396
LEU A 392
THR A 388
GLY A 376
ILE A 362
 None
 1.05A 3bf1C-1qguA:
undetectable
3bf1D-1qguA:
2.2		 3bf1C-1qguA:
19.17
3bf1D-1qguA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		5 / 11 GLY A 376
ILE A 362
THR A 396
LEU A 392
THR A 388
 None
 1.04A 3bf1E-1qguA:
undetectable
3bf1F-1qguA:
2.1		 3bf1E-1qguA:
19.17
3bf1F-1qguA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		5 / 11 THR A 396
LEU A 392
THR A 388
GLY A 376
ILE A 362
 None
 1.05A 3bf1E-1qguA:
undetectable
3bf1F-1qguA:
2.1		 3bf1E-1qguA:
19.17
3bf1F-1qguA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KK6_B_CELB1701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		5 / 6 VAL A  58
LEU A  16
ILE A  45
ALA A 402
LEU A 407
 None
 1.49A 3kk6B-1qguA:
undetectable		 3kk6B-1qguA:
19.69
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.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		5 / 12 GLY A 193
GLY A  65
LEU A 192
ALA A 197
ASN A 198
 None
None
EDO  A2780 (-4.8A)
None
None
 1.09A 3kkzA-1qguA:
2.7		 3kkzA-1qguA:
20.99
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.
3N2O_C_AG2C1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		4 / 8 HIS A  30
SER A  47
ASP A 386
LEU A 389
 None
 1.12A 3n2oC-1qguA:
undetectable
3n2oD-1qguA:
undetectable		 3n2oC-1qguA:
20.33
3n2oD-1qguA:
20.33
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.
3NBQ_B_URFB400_1
(URIDINE
PHOSPHORYLASE 1)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		4 / 8 THR A 148
GLY A 146
LEU A 257
ILE A 205
 None
 0.91A 3nbqB-1qguA:
3.2		 3nbqB-1qguA:
19.67
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.
3NBQ_C_URFC400_1
(URIDINE
PHOSPHORYLASE 1)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		4 / 8 THR A 148
GLY A 146
LEU A 257
ILE A 205
 None
 0.87A 3nbqC-1qguA:
3.3		 3nbqC-1qguA:
19.67
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.
3SFU_C_RBVC601_1
(RNA POLYMERASE)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		5 / 11 LEU A 240
ASP A 226
ASN A 228
GLY A 231
ASP A 232
 None
 1.45A 3sfuC-1qguA:
undetectable		 3sfuC-1qguA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A6E_A_SAMA1349_1
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		3 / 3 TYR A 352
ASP A 400
ASP A 384
 None
 0.70A 4a6eA-1qguA:
undetectable		 4a6eA-1qguA:
20.33
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.
4HTF_A_ACTA303_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		3 / 3 TYR A 274
HIS A 381
ARG A 275
 None
 0.78A 4htfA-1qguA:
2.5		 4htfA-1qguA:
21.19
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.
4M2X_G_TMQG202_1
(DIHYDROFOLATE
REDUCTASE)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		5 / 12 ILE A 372
LEU A 414
PRO A 416
VAL A 411
THR A 388
 None
 1.01A 4m2xG-1qguA:
undetectable		 4m2xG-1qguA:
19.95
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.
4M48_A_21BA704_1
(TRANSPORTER)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		5 / 8 ASP A 460
ASP A 232
TYR A 448
SER A 445
GLY A 230
 None
 1.38A 4m48A-1qguA:
undetectable		 4m48A-1qguA:
20.88
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		5 / 12 TRP A 442
HIS A 449
GLY A 230
GLN A 250
GLY A 253
 None
 1.12A 4uilH-1qguA:
undetectable
4uilL-1qguA:
undetectable		 4uilH-1qguA:
19.11
4uilL-1qguA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y03_B_SALB801_1
(PROTEIN POLYBROMO-1)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		4 / 5 LEU A 206
ALA A 281
ASN A 269
ILE A 224
 None
 1.03A 4y03B-1qguA:
undetectable		 4y03B-1qguA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LJC_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		4 / 7 LEU A 240
ILE A 280
MET A 277
TRP A 251
 None
 1.09A 5ljcA-1qguA:
undetectable		 5ljcA-1qguA:
16.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TOA_B_ESTB601_1
(ESTROGEN RECEPTOR
BETA)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		5 / 12 MET A 353
LEU A 397
LEU A 398
ILE A 362
LEU A 392
 None
 1.23A 5toaB-1qguA:
undetectable		 5toaB-1qguA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TWJ_C_SAMC201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		5 / 12 LEU A 240
GLY A 244
LEU A 270
LEU A 268
VAL A 221
 None
None
None
EDO  A2777 ( 3.9A)
None
 1.15A 5twjC-1qguA:
undetectable		 5twjC-1qguA:
17.34
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.
6DWD_A_GLYA715_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		4 / 6 ASN A 228
ASP A 226
SER A 236
ARG A 237
 None
 1.08A 6dwdA-1qguA:
undetectable
6dwdC-1qguA:
undetectable		 6dwdA-1qguA:
20.62
6dwdC-1qguA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_G_TA1G501_1
(TUBULIN BETA CHAIN)		 1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)
(Klebsiella
pneumoniae) 		5 / 12 GLU A 425
LEU A  11
ALA A 402
PHE A 399
LEU A 397
 None
 1.18A 6ew0G-1qguA:
undetectable		 6ew0G-1qguA:
11.41