SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4zda'

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.
1KF6_B_ACTB704_0
(FUMARATE REDUCTASE
FLAVOPROTEIN
FUMARATE REDUCTASE
IRON-SULFUR PROTEIN)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ARG A 127
GLY A  55
ASP A  56
 None
 0.56A 1kf6A-4zdaA:
2.2
1kf6B-4zdaA:
undetectable		 1kf6A-4zdaA:
22.93
1kf6B-4zdaA:
16.54
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.
1PCG_B_ESTB2_1
(ESTROGEN RECEPTOR)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		5 / 10 MET A 387
ALA A 527
LEU A 491
ARG A 502
LEU A 553
 None
 1.48A 1pcgB-4zdaA:
undetectable		 1pcgB-4zdaA:
15.93
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.
2FB2_B_SAMB501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		4 / 7 THR A 173
THR A 375
SER A 253
VAL A 349
 None
 1.18A 2fb2B-4zdaA:
undetectable		 2fb2B-4zdaA:
19.38
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.
2FK8_A_SAMA302_1
(METHOXY MYCOLIC ACID
SYNTHASE 4)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		3 / 3 SER A 662
THR A 654
GLN A 709
 None
 0.84A 2fk8A-4zdaA:
undetectable		 2fk8A-4zdaA:
17.17
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.
2QEU_A_ACTA142_0
(PUTATIVE
CARBOXYMUCONOLACTONE
DECARBOXYLASE)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		4 / 5 GLU A 430
PRO A 432
ILE A 431
GLY A 456
 None
 1.07A 2qeuA-4zdaA:
undetectable
2qeuC-4zdaA:
undetectable		 2qeuA-4zdaA:
12.29
2qeuC-4zdaA:
12.29
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.
2VE3_B_REAB1445_1
(PUTATIVE CYTOCHROME
P450 120)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A 377
THR A 375
VAL A 250
GLY A 249
PRO A 329
 None
 1.26A 2ve3B-4zdaA:
undetectable		 2ve3B-4zdaA:
19.31
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.
3AG1_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		4 / 6 ILE A 439
MET A 190
THR A 191
LEU A 192
 None
 1.03A 3ag1N-4zdaA:
undetectable
3ag1W-4zdaA:
undetectable		 3ag1N-4zdaA:
20.57
3ag1W-4zdaA:
5.91
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.
3NXU_B_RITB600_1
(CYTOCHROME P450 3A4)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		5 / 12 SER A 616
LEU A  25
ILE A   8
ALA A  32
ALA A 635
 None
 1.15A 3nxuB-4zdaA:
undetectable		 3nxuB-4zdaA:
21.88
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.
3RFM_A_CFFA330_1
(ADENOSINE RECEPTOR
A2A)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		4 / 7 VAL A 216
LEU A 192
MET A 190
ILE A 224
 None
 0.84A 3rfmA-4zdaA:
undetectable		 3rfmA-4zdaA:
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.
3VAS_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ASN A  81
ILE A 571
GLY A 577
GLY A 578
GLY A 143
 None
 1.01A 3vasA-4zdaA:
undetectable		 3vasA-4zdaA:
19.07
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.
3WDM_C_ADNC301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		5 / 9 GLY A 292
LEU A 309
ASP A 301
ASN A 294
ILE A 306
 None
 1.05A 3wdmC-4zdaA:
undetectable		 3wdmC-4zdaA:
15.88
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.
4A97_A_ZPCA1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		4 / 7 ILE A  88
TYR A 718
HIS A 594
VAL A 713
 None
 1.09A 4a97A-4zdaA:
2.4		 4a97A-4zdaA:
19.74
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.
4F3T_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		4 / 6 LEU A  51
LEU A 102
GLU A 101
TYR A 720
 None
 1.16A 4f3tA-4zdaA:
2.8		 4f3tA-4zdaA:
21.80
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.
4MI4_B_SPMB201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		4 / 7 GLU A 187
TYR A 184
GLU A 381
ARG A 495
 None
 1.04A 4mi4B-4zdaA:
undetectable
4mi4C-4zdaA:
undetectable		 4mi4B-4zdaA:
13.40
4mi4C-4zdaA:
13.40
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.
4MJ8_B_SPMB201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		4 / 8 GLU A 187
TYR A 184
GLU A 381
ARG A 495
 None
 1.06A 4mj8B-4zdaA:
undetectable
4mj8C-4zdaA:
undetectable		 4mj8B-4zdaA:
12.61
4mj8C-4zdaA:
12.61
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.
4NKX_B_STRB601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		4 / 5 ILE A 210
LEU A 212
GLU A 209
VAL A 447
 None
 1.00A 4nkxB-4zdaA:
undetectable		 4nkxB-4zdaA:
20.94
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.
4QW0_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		4 / 7 THR A  11
THR A  21
ALA A  20
THR A 583
 None
 0.98A 4qw0K-4zdaA:
undetectable		 4qw0K-4zdaA:
16.22
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.
4QW0_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		4 / 7 THR A  11
THR A  21
ALA A  20
THR A 583
 None
 0.98A 4qw0Y-4zdaA:
undetectable		 4qw0Y-4zdaA:
16.22
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		5 / 12 HIS A 497
GLU A 420
GLY A 546
GLY A 423
PRO A 462
 None
 1.26A 4uinH-4zdaA:
undetectable
4uinL-4zdaA:
undetectable		 4uinH-4zdaA:
14.47
4uinL-4zdaA:
13.11
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.
5A6I_A_TCWA1124_1
(TRANSTHYRETIN)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		4 / 6 LEU A 643
LEU A 666
SER A 667
VAL A 702
 None
 1.12A 5a6iA-4zdaA:
undetectable		 5a6iA-4zdaA:
10.91
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.
5DPD_A_SAMA601_0
(PROTEIN LYSINE
METHYLTRANSFERASE 1)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLU A 609
GLY A 608
LEU A 569
SER A 570
VAL A 153
 None
 1.04A 5dpdA-4zdaA:
undetectable		 5dpdA-4zdaA:
21.68
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.
5E8Q_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ASP A 637
LEU A 482
ARG A 479
 None
 0.90A 5e8qA-4zdaA:
undetectable		 5e8qA-4zdaA:
11.80
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.
5IEP_A_VDYA201_2
(CDL2.3B)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		5 / 9 PRO A 356
MET A 406
VAL A 535
LEU A 532
LEU A 549
 None
 1.35A 5iepA-4zdaA:
undetectable		 5iepA-4zdaA:
11.72
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.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ILE A 701
ASP A 658
GLY A 661
PHE A 664
MET A 730
 None
 1.06A 5x5qB-4zdaA:
undetectable		 5x5qB-4zdaA:
17.10