SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4upe'

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.
1AO8_A_MTXA170_2
(DIHYDROFOLATE
REDUCTASE)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 4 TRP Q  43
LEU Q  28
ARG Q 535
THR Q 522
 None
 1.34A 1ao8A-4upeQ:
undetectable		 1ao8A-4upeQ:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LQT_A_ACTA1872_0
(FPRA)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 5 SER Q 449
ASN Q  98
ALA Q  97
ASP Q 453
 None
 1.22A 1lqtA-4upeQ:
undetectable
1lqtB-4upeQ:
undetectable		 1lqtA-4upeQ:
24.70
1lqtB-4upeQ:
24.70
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.
1LQU_A_ACTA1429_0
(FPRA)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 5 SER Q 449
ASN Q  98
ALA Q  97
ASP Q 453
 None
 1.22A 1lquA-4upeQ:
undetectable
1lquB-4upeQ:
undetectable		 1lquA-4upeQ:
24.70
1lquB-4upeQ:
24.70
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.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		6 / 12 PHE Q 390
GLY Q 423
SER Q 420
LEU Q 411
SER Q 412
LEU Q 408
 None
 1.38A 1ya4A-4upeQ:
undetectable		 1ya4A-4upeQ:
22.93
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.
2HC4_A_VDXA525_1
(VITAMIN D RECEPTOR)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		5 / 12 PHE Q 390
LEU Q 386
SER Q 420
HIS Q 118
HIS Q 123
 None
 1.15A 2hc4A-4upeQ:
undetectable		 2hc4A-4upeQ:
19.64
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.
2NV4_B_SAMB202_0
(UPF0066 PROTEIN
AF_0241)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		5 / 12 ALA Q 472
ASP Q 114
PRO Q 498
GLY Q 384
ASP Q 473
 None
CSX  Q  75 ( 4.5A)
FCO  Q1550 (-3.5A)
None
None
 1.35A 2nv4B-4upeQ:
undetectable		 2nv4B-4upeQ:
12.73
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.
2WQ5_A_MIYA1120_1
(PHOSPHOLIPASE A2,
ACIDIC)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 7 LEU Q  52
ALA Q 545
GLY Q 547
PHE Q 493
 None
 0.92A 2wq5A-4upeQ:
undetectable		 2wq5A-4upeQ:
12.75
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.
2YFB_B_ACTB501_0
(METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 6 ASP Q 126
VAL Q  18
ILE Q  21
TYR Q 183
 None
 1.16A 2yfbB-4upeQ:
2.8		 2yfbB-4upeQ:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E23_A_SAMA221_1
(UNCHARACTERIZED
PROTEIN RPA2492)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		3 / 3 TYR Q 277
ASP Q 198
HIS Q 188
 None
 0.83A 3e23A-4upeQ:
undetectable		 3e23A-4upeQ:
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.
3IK3_A_0LIA1_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 7 LEU Q 270
TYR Q 266
VAL Q 163
ILE Q 200
 None
 1.25A 3ik3A-4upeQ:
undetectable		 3ik3A-4upeQ:
19.77
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.
3LSL_A_PZIA801_0
(GLUTAMATE RECEPTOR 2)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 8 ILE Q  21
SER Q  44
SER Q  46
PRO Q 542
 None
 0.76A 3lslA-4upeQ:
undetectable
3lslD-4upeQ:
undetectable		 3lslA-4upeQ:
19.01
3lslD-4upeQ:
19.01
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.
3LSL_D_PZID801_0
(GLUTAMATE RECEPTOR 2)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 8 PRO Q 542
ILE Q  21
SER Q  44
SER Q  46
 None
 0.86A 3lslA-4upeQ:
undetectable
3lslD-4upeQ:
undetectable		 3lslA-4upeQ:
19.01
3lslD-4upeQ:
19.01
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.
3NK2_X_LDPX433_1
(6-HYDROXY-L-NICOTINE
OXIDASE)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 7 TYR Q 376
LEU Q 479
LEU Q 290
TRP Q 482
 None
FCO  Q1550 (-3.4A)
None
None
 1.11A 3nk2X-4upeQ:
undetectable		 3nk2X-4upeQ:
22.50
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.
4AT0_A_ACTA1490_0
(3-KETOSTEROID-DELTA4
-5ALPHA-DEHYDROGENAS
E)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		3 / 3 GLU Q 382
TYR Q 289
SER Q 287
 None
 1.00A 4at0A-4upeQ:
undetectable		 4at0A-4upeQ:
21.70
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.
4E1G_B_LNLB701_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 7 TYR Q 266
LEU Q 270
ASN Q 438
VAL Q 407
 None
 1.12A 4e1gB-4upeQ:
undetectable		 4e1gB-4upeQ:
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.
4E1G_B_LNLB701_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 7 VAL Q 262
TYR Q 266
LEU Q 270
ASN Q 438
 None
 0.76A 4e1gB-4upeQ:
undetectable		 4e1gB-4upeQ:
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.
4KHP_A_PARA1606_1
(16S RIBOSOMAL RNA
30S RIBOSOMAL
PROTEIN S9
30S RIBOSOMAL
PROTEIN S10)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		3 / 3 TYR Q 289
ARG Q 319
SER Q 287
 None
 1.10A 4khpI-4upeQ:
undetectable
4khpJ-4upeQ:
undetectable		 4khpI-4upeQ:
12.90
4khpJ-4upeQ:
11.84
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.
4R29_D_SAMD301_0
(UNCHARACTERIZED
PROTEIN)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		5 / 12 ALA Q 274
GLY Q 423
ILE Q 434
ALA Q 433
GLY Q 429
 None
 0.96A 4r29D-4upeQ:
0.9		 4r29D-4upeQ:
16.70
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.
4RVG_A_SAMA503_0
(D-MYCAROSE
3-C-METHYLTRANSFERAS
E)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		5 / 12 ILE Q 524
GLY Q  37
ASN Q  36
VAL Q  34
ILE Q  16
 None
 0.89A 4rvgA-4upeQ:
undetectable		 4rvgA-4upeQ:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F1A_A_SALA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 8 VAL Q 413
LEU Q 408
LEU Q 386
GLY Q 423
 None
 0.82A 5f1aA-4upeQ:
undetectable		 5f1aA-4upeQ:
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.
5H1E_A_VDXA501_1
(VITAMIN D3 RECEPTOR)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		5 / 12 PHE Q 390
LEU Q 386
SER Q 420
HIS Q 118
HIS Q 123
 None
 1.21A 5h1eA-4upeQ:
undetectable		 5h1eA-4upeQ:
18.73
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.
5HWA_A_GCSA302_1
(CHITOSANASE)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 7 ASP Q 511
ASP Q 335
TYR Q 333
GLY Q 378
 None
 1.13A 5hwaA-4upeQ:
1.8		 5hwaA-4upeQ:
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.
5IL1_A_SAMA601_0
(METTL3)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		5 / 12 ILE Q 178
ARG Q  23
LEU Q 125
PHE Q 179
GLY Q 177
 None
 1.34A 5il1A-4upeQ:
undetectable		 5il1A-4upeQ:
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.
5K7U_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		5 / 12 ILE Q 178
ARG Q  23
LEU Q 125
PHE Q 179
GLY Q 177
 None
 1.34A 5k7uA-4upeQ:
undetectable		 5k7uA-4upeQ:
17.04
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.
5KIR_B_RCXB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		5 / 12 HIS Q 481
ALA Q  71
GLY Q 477
ALA Q 478
LEU Q 290
 None
 1.12A 5kirB-4upeQ:
0.0		 5kirB-4upeQ:
21.05
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.
5N0O_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		3 / 3 ALA Q  80
GLN Q 230
THR Q 232
 None
 0.66A 5n0oA-4upeQ:
undetectable		 5n0oA-4upeQ:
21.83
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.
5NU7_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 4)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 8 LEU Q 271
VAL Q 407
TYR Q 266
HIS Q 204
 None
 0.88A 5nu7A-4upeQ:
undetectable		 5nu7A-4upeQ:
15.86
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.
5OGJ_A_ACTA307_0
(CARBONIC ANHYDRASE
13)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 6 HIS Q 123
LEU Q 422
THR Q 421
TRP Q 280
 None
 1.12A 5ogjA-4upeQ:
undetectable		 5ogjA-4upeQ:
20.61
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.
5OGJ_B_ACTB305_0
(CARBONIC ANHYDRASE
13)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 6 HIS Q 123
LEU Q 422
THR Q 421
TRP Q 280
 None
 1.10A 5ogjB-4upeQ:
undetectable		 5ogjB-4upeQ:
20.61
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.
5OHH_B_ACTB311_0
(CARBONIC ANHYDRASE
13)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 6 HIS Q 123
LEU Q 422
THR Q 421
TRP Q 280
 None
 1.11A 5ohhB-4upeQ:
undetectable		 5ohhB-4upeQ:
20.61
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.
5SYJ_B_NIZB810_1
(CATALASE-PEROXIDASE)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 6 ARG Q 152
HIS Q 204
LEU Q 199
SER Q 156
 None
 1.48A 5syjB-4upeQ:
undetectable		 5syjB-4upeQ:
22.81
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.
5VLM_F_CVIF301_1
(REGULATORY PROTEIN
TETR)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 8 ARG Q 388
TRP Q 442
VAL Q 435
ASP Q 114
 None
GOL  Q1561 ( 4.4A)
None
CSX  Q  75 ( 4.5A)
 1.10A 5vlmF-4upeQ:
1.8		 5vlmF-4upeQ:
15.00
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 7 ASN Q 250
ALA Q 249
GLU Q 440
LEU Q 254
 None
 1.08A 6ci6A-4upeQ:
undetectable		 6ci6A-4upeQ:
10.19
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.
6HIS_C_TKTC508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 8 ASP Q 299
TRP Q 442
ARG Q  85
ASN Q 438
 None
GOL  Q1561 ( 4.4A)
None
None
 1.05A 6hisC-4upeQ:
2.7
6hisD-4upeQ:
2.7		 6hisC-4upeQ:
12.68
6hisD-4upeQ:
12.68
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.
6HIS_E_TKTE501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
fructosivorans) 		4 / 8 ASN Q 438
ASP Q 299
TRP Q 442
ARG Q  85
 None
None
GOL  Q1561 ( 4.4A)
None
 1.05A 6hisA-4upeQ:
1.8
6hisE-4upeQ:
1.8		 6hisA-4upeQ:
12.68
6hisE-4upeQ:
12.68