SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4j16'

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.
1EQG_A_IBPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4j16 NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Thermus
thermophilus) 		5 / 9 VAL C 439
VAL C 372
ILE C 280
ALA C 285
LEU C 443
 None
 1.13A 1eqgA-4j16C:
undetectable		 1eqgA-4j16C:
14.68
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.
1EQG_B_IBPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4j16 NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Thermus
thermophilus) 		5 / 11 VAL C 439
VAL C 372
ILE C 280
ALA C 285
LEU C 443
 None
 1.14A 1eqgB-4j16C:
undetectable		 1eqgB-4j16C:
14.68
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.
1FO4_B_SALB4005_1
(XANTHINE
DEHYDROGENASE)		 4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1
(Thermus
thermophilus) 		4 / 7 GLU A 118
THR A  73
VAL A  74
ALA A 116
 None
 1.06A 1fo4B-4j16A:
undetectable		 1fo4B-4j16A:
14.31
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.
1LHV_A_NOGA301_1
(SEX HORMONE-BINDING
GLOBULIN)		 4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1
(Thermus
thermophilus) 		4 / 8 THR A 254
ASP A 283
MET A 173
LEU A 242
 None
 1.09A 1lhvA-4j16A:
undetectable		 1lhvA-4j16A:
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.
1RX8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1
(Thermus
thermophilus) 		5 / 12 ALA A  18
PHE A  72
ILE A 115
LEU A 337
PRO A 345
 None
 1.09A 1rx8A-4j16A:
undetectable		 1rx8A-4j16A:
16.80
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.
2CIZ_A_ACTA1321_0
(CHLOROPEROXIDASE)		 4j16 NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Thermus
thermophilus) 		4 / 5 LEU C 397
ASN C 362
VAL C 296
ALA C 329
 None
 1.08A 2cizA-4j16C:
undetectable		 2cizA-4j16C:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD3_A_CHDA501_0
(FERROCHELATASE)		 4j16 NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Thermus
thermophilus) 		5 / 11 LEU C 440
LEU C 443
LEU C 447
ILE C 374
VAL C 295
 None
 1.19A 2qd3A-4j16C:
2.1		 2qd3A-4j16C:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y6R_B_CTCB1385_0
(TETX2 PROTEIN)		 4j16 NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Thermus
thermophilus) 		4 / 8 ARG C 336
GLY C 339
PRO C 299
GLY C 375
 NAP  C 501 (-2.5A)
None
None
NAP  C 501 (-3.8A)
 0.92A 2y6rB-4j16C:
3.7		 2y6rB-4j16C:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YGP_A_PCFA1213_0
(WNT INHIBITORY
FACTOR 1)		 4j16 NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Thermus
thermophilus) 		5 / 12 ILE C 444
PHE C 328
VAL C 326
VAL C 324
PHE C 297
 None
 1.13A 2ygpA-4j16C:
undetectable		 2ygpA-4j16C:
23.94
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.
2Z0Y_B_SAMB400_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0657)		 4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1
(Thermus
thermophilus) 		5 / 9 ALA A 195
VAL A 193
VAL A 175
GLY A 179
ALA A 206
 None
None
NAD  A 500 (-4.7A)
None
None
 0.91A 2z0yB-4j16A:
3.5		 2z0yB-4j16A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JB3_A_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		 4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1
(Thermus
thermophilus) 		5 / 12 ILE A 183
GLY A 179
ALA A 256
ALA A 136
ALA A 202
 None
None
NAD  A 500 ( 3.7A)
None
None
 1.03A 3jb3A-4j16A:
undetectable		 3jb3A-4j16A:
14.98
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		 4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1
(Thermus
thermophilus) 		5 / 12 ALA A  68
VAL A   6
LEU A  27
ALA A 327
LEU A 330
 None
 1.26A 3ozuA-4j16A:
undetectable		 3ozuA-4j16A:
23.29
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.
4F4D_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4j16 NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Thermus
thermophilus) 		5 / 12 LEU C 440
LEU C 443
LEU C 447
ILE C 374
VAL C 295
 None
 1.23A 4f4dA-4j16C:
undetectable		 4f4dA-4j16C:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KFJ_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1
(Thermus
thermophilus) 		5 / 12 ILE A  90
ILE A 120
PRO A 121
LEU A 333
VAL A  92
 None
 0.86A 4kfjB-4j16A:
2.1		 4kfjB-4j16A:
18.86
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.
4KYA_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1
(Thermus
thermophilus) 		5 / 11 VAL A 352
ALA A 355
SER A 334
THR A 113
LEU A  70
 None
 1.42A 4kyaA-4j16A:
undetectable		 4kyaA-4j16A:
23.14
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.
4KYA_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1
(Thermus
thermophilus) 		5 / 11 VAL A 352
ALA A 355
SER A 334
THR A 113
LEU A  70
 None
 1.43A 4kyaE-4j16A:
undetectable		 4kyaE-4j16A:
23.14
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.
4KYA_G_FOLG703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1
(Thermus
thermophilus) 		5 / 11 VAL A 352
ALA A 355
SER A 334
THR A 113
LEU A  70
 None
 1.44A 4kyaG-4j16A:
undetectable		 4kyaG-4j16A:
23.14
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.
4XYZ_A_ACTA103_0
(POLYUBIQUITIN-C)		 4j16 NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Thermus
thermophilus) 		4 / 4 LEU C 397
ILE C 330
HIS C 331
VAL C 298
 None
 1.32A 4xyzA-4j16C:
undetectable		 4xyzA-4j16C:
16.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YBN_A_ACTA303_0
(FLAVIN-NUCLEOTIDE-BI
NDING PROTEIN)		 4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1
(Thermus
thermophilus) 		3 / 3 VAL A  24
TYR A  51
ALA A  54
 None
 0.57A 4ybnA-4j16A:
undetectable		 4ybnA-4j16A:
22.34
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.
5BYK_A_OAQA302_0
(SULFOTRANSFERASE)		 4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1
(Thermus
thermophilus) 		5 / 12 PRO A  77
LEU A  81
VAL A 114
VAL A  91
MET A 358
 None
 1.00A 5bykA-4j16A:
undetectable		 5bykA-4j16A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHZ_B_REAB602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1
(Thermus
thermophilus) 		5 / 9 THR A 279
GLN A 257
ASN A 291
LEU A 267
LEU A 275
 None
NAD  A 500 (-4.7A)
None
None
None
 1.37A 5fhzB-4j16A:
3.4		 5fhzB-4j16A:
23.26
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.
5JNC_D_ACTD305_0
(CARBONIC ANHYDRASE 4)		 4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1
(Thermus
thermophilus) 		4 / 5 ALA A 211
ALA A 195
ILE A 183
LEU A 180
 None
 0.41A 5jncD-4j16A:
undetectable		 5jncD-4j16A:
19.58
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.
5MSD_A_BEZA1202_0
(CARBOXYLIC ACID
REDUCTASE)		 4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1
(Thermus
thermophilus) 		4 / 5 ILE A 253
PHE A 155
SER A 151
ALA A 144
 None
 1.25A 5msdA-4j16A:
3.7		 5msdA-4j16A:
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.
5O96_F_SAMF501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1
(Thermus
thermophilus) 		5 / 10 LEU A  19
PRO A   7
GLY A  41
VAL A  74
ALA A 327
 None
 1.13A 5o96E-4j16A:
3.2
5o96F-4j16A:
2.5		 5o96E-4j16A:
22.93
5o96F-4j16A:
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.
6B50_A_OAQA302_0
(SULFOTRANSFERASE
OXAMNIQUINE
RESISTANCE PROTEIN)		 4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1
(Thermus
thermophilus) 		5 / 12 PRO A  77
LEU A  81
VAL A 114
VAL A  91
MET A 358
 None
 1.07A 6b50A-4j16A:
undetectable		 6b50A-4j16A:
21.33
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.
6B52_A_OAQA302_0
(SULFOTRANSFERASE)		 4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1
(Thermus
thermophilus) 		5 / 12 PRO A  77
LEU A  81
VAL A 114
VAL A  91
MET A 358
 None
 0.91A 6b52A-4j16A:
undetectable		 6b52A-4j16A:
18.75