SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4aq1'

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.
1FSL_B_NIOB145_1
(LEGHEMOGLOBIN A)		 4aq1 SBSB PROTEIN
(Geobacillus
stearothermophil
us) 		4 / 8 PHE C 763
ILE C 877
LEU C 856
VAL C 867
 None
 0.87A 1fslB-4aq1C:
undetectable		 1fslB-4aq1C:
11.56
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		 4aq1 SBSB PROTEIN
(Geobacillus
stearothermophil
us) 		4 / 7 SER C 452
PRO C 455
ALA C 479
ALA C 460
 None
 1.07A 1k5qA-4aq1C:
undetectable
1k5qB-4aq1C:
undetectable		 1k5qA-4aq1C:
12.50
1k5qB-4aq1C:
21.89
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_B_ACTB1424_0
(FPRA)		 4aq1 NBKB6
(Lama
glama) 		4 / 4 ALA B  40
ARG B  38
GLN B  39
GLU B  46
 None
 1.48A 1lquB-4aq1B:
undetectable		 1lquB-4aq1B:
14.38
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.
1YC2_D_NCAD510_0
(NAD-DEPENDENT
DEACETYLASE 2)		 4aq1 SBSB PROTEIN
(Geobacillus
stearothermophil
us) 		4 / 5 ALA C 737
PHE C 845
ILE C 814
ASP C 808
 None
 1.13A 1yc2D-4aq1C:
undetectable		 1yc2D-4aq1C:
13.93
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.
2VN1_A_FK5A501_2
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		 4aq1 SBSB PROTEIN
(Geobacillus
stearothermophil
us) 		4 / 6 SER C 580
PHE C 575
ASP C 576
GLU C 544
 None
 1.30A 2vn1B-4aq1C:
undetectable		 2vn1B-4aq1C:
8.76
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.
2YA7_A_ZMRA1776_2
(NEURAMINIDASE A)		 4aq1 SBSB PROTEIN
(Geobacillus
stearothermophil
us) 		4 / 6 ASP C 656
ILE C 642
LEU C 699
GLU C 706
 None
 1.01A 2ya7A-4aq1C:
undetectable		 2ya7A-4aq1C:
20.43
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.
2YA7_B_ZMRB1776_2
(NEURAMINIDASE A)		 4aq1 SBSB PROTEIN
(Geobacillus
stearothermophil
us) 		4 / 6 ASP C 656
ILE C 642
LEU C 699
GLU C 706
 None
 1.00A 2ya7B-4aq1C:
undetectable		 2ya7B-4aq1C:
20.43
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.
2YA7_D_ZMRD1776_2
(NEURAMINIDASE A)		 4aq1 SBSB PROTEIN
(Geobacillus
stearothermophil
us) 		4 / 6 ASP C 656
ILE C 642
LEU C 699
GLU C 706
 None
 0.99A 2ya7D-4aq1C:
undetectable		 2ya7D-4aq1C:
20.43
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.
3A7E_A_SAMA216_1
(CATECHOL
O-METHYLTRANSFERASE)		 4aq1 SBSB PROTEIN
(Geobacillus
stearothermophil
us) 		4 / 6 GLY C 822
ILE C 786
GLU C 784
ILE C 782
 CA  C1922 (-4.1A)
None
CA  C1922 (-3.0A)
None
 0.94A 3a7eA-4aq1C:
undetectable		 3a7eA-4aq1C:
12.91
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.
3BRF_A_SORA2_0
(LIN-12 AND GLP-1
PHENOTYPE PROTEIN 1,
ISOFORM A)		 4aq1 SBSB PROTEIN
(Geobacillus
stearothermophil
us) 		3 / 3 LYS C 507
LYS C 543
VAL C 538
 None
 0.85A 3brfA-4aq1C:
undetectable		 3brfA-4aq1C:
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.
3BUF_A_AEGA394_0
(BETA-SECRETASE 1)		 4aq1 SBSB PROTEIN
(Geobacillus
stearothermophil
us) 		4 / 5 LEU C 503
ILE C 506
ILE C 545
GLY C 548
 None
 0.91A 3bufA-4aq1C:
undetectable		 3bufA-4aq1C:
19.62
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.
3CS9_C_NILC600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4aq1 SBSB PROTEIN
(Geobacillus
stearothermophil
us) 		5 / 9 LEU C 761
VAL C 918
VAL C 914
VAL C 891
PHE C 888
 None
 1.34A 3cs9C-4aq1C:
undetectable		 3cs9C-4aq1C:
14.46
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.
3GWX_A_EPAA1_1
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		 4aq1 SBSB PROTEIN
(Geobacillus
stearothermophil
us) 		5 / 10 VAL C 324
LEU C 375
VAL C 299
VAL C 367
LEU C 369
 None
 1.01A 3gwxA-4aq1C:
undetectable		 3gwxA-4aq1C:
15.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QXV_D_MTXD2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 4aq1 NBKB6
(Lama
glama) 		5 / 12 MET B  34
ARG B  72
VAL B  79
ALA B  98
TYR B 113
 None
 0.97A 3qxvD-4aq1B:
21.8		 3qxvD-4aq1B:
74.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QXV_E_MTXE2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 4aq1 NBKB6
(Lama
glama) 		5 / 12 MET B  34
ARG B  72
VAL B  79
ALA B  98
TYR B 113
 None
 1.03A 3qxvE-4aq1B:
18.2		 3qxvE-4aq1B:
74.19
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.
4ACA_C_DXCC1478_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 4aq1 SBSB PROTEIN
(Geobacillus
stearothermophil
us) 		4 / 7 ASP C 447
GLY C 464
ILE C 462
PHE C 485
 None
 0.88A 4acaC-4aq1C:
undetectable		 4acaC-4aq1C:
21.11
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.
4JX1_F_CAMF502_0
(CAMPHOR
5-MONOOXYGENASE)		 4aq1 SBSB PROTEIN
(Geobacillus
stearothermophil
us) 		4 / 4 TYR C 821
THR C 440
VAL C 777
ILE C 782
 None
 1.36A 4jx1F-4aq1C:
undetectable		 4jx1F-4aq1C:
17.69
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.
4LMN_A_EUIA503_2
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 4aq1 SBSB PROTEIN
(Geobacillus
stearothermophil
us) 		3 / 3 ASP C 705
VAL C 692
ASN C 905
 None
 0.79A 4lmnA-4aq1C:
undetectable		 4lmnA-4aq1C:
16.05
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.
4RKU_A_PQNA5001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 4aq1 NBKB6
(Lama
glama) 		4 / 8 MET B  64
PHE B  68
ALA B  87
LEU B  86
 None
 0.73A 4rkuA-4aq1B:
undetectable
4rkuJ-4aq1B:
undetectable		 4rkuA-4aq1B:
10.86
4rkuJ-4aq1B:
13.08
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.
4XK8_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		 4aq1 NBKB6
(Lama
glama) 		4 / 7 MET B  64
PHE B  68
ALA B  87
LEU B  86
 None
 0.75A 4xk8A-4aq1B:
undetectable		 4xk8A-4aq1B:
10.54
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.
5KC4_E_RBFE201_2
(RIBOFLAVIN
TRANSPORTER RIBU)		 4aq1 SBSB PROTEIN
(Geobacillus
stearothermophil
us) 		3 / 3 LYS C 507
ASP C 505
ILE C 618
 None
 0.90A 5kc4E-4aq1C:
undetectable		 5kc4E-4aq1C:
11.34
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.
5X6Y_A_SAMA902_1
(MRNA CAPPING ENZYME
P5)		 4aq1 SBSB PROTEIN
(Geobacillus
stearothermophil
us) 		3 / 3 TYR C 896
ASP C 903
ASP C 853
 None
 0.69A 5x6yA-4aq1C:
undetectable		 5x6yA-4aq1C:
22.76
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.
5YK2_A_ERYA501_0
(PROBABLE CONSERVED
ATP-BINDING PROTEIN
ABC TRANSPORTER)		 4aq1 SBSB PROTEIN
(Geobacillus
stearothermophil
us) 		5 / 11 ARG C 451
ALA C 460
ALA C 458
ILE C 457
VAL C 495
 None
 1.20A 5yk2A-4aq1C:
undetectable		 5yk2A-4aq1C:
20.11
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.
6B0I_B_TA1B502_1
(TUBULIN BETA CHAIN)		 4aq1 SBSB PROTEIN
(Geobacillus
stearothermophil
us) 		5 / 12 VAL C 852
ASP C 853
LEU C 803
PRO C 871
LEU C 856
 None
 1.07A 6b0iB-4aq1C:
undetectable		 6b0iB-4aq1C:
6.50
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.
6B0L_B_TA1B502_1
(TUBULIN BETA CHAIN)		 4aq1 SBSB PROTEIN
(Geobacillus
stearothermophil
us) 		5 / 12 VAL C 852
ASP C 853
LEU C 803
PRO C 871
LEU C 856
 None
 1.11A 6b0lB-4aq1C:
undetectable		 6b0lB-4aq1C:
6.50
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.
6BQG_A_ERMA1201_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)		 4aq1 SBSB PROTEIN
(Geobacillus
stearothermophil
us) 		4 / 5 VAL C 852
LEU C 890
VAL C 750
LEU C 761
 None
 1.03A 6bqgA-4aq1C:
undetectable		 6bqgA-4aq1C:
7.02