SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4dqk'

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.
1RX8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		5 / 12 ILE A 958
ALA A 931
MET A 901
LEU A 891
PRO A 836
 None
 1.05A 1rx8A-4dqkA:
undetectable		 1rx8A-4dqkA:
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.
2KOT_A_ANWA99_0
(PROTEIN S100-A13)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		4 / 7 VAL A 715
THR A 716
PHE A 719
LYS A 814
 None
 1.26A 2kotA-4dqkA:
undetectable		 2kotA-4dqkA:
15.96
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.
2V7U_A_SAMA1299_0
(5'-FLUORO-5'-DEOXY
ADENOSINE SYNTHETASE)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		4 / 8 ASP A 943
PHE A 935
SER A 966
ARG A 967
 None
None
SO4  A1103 (-2.8A)
SO4  A1103 (-3.7A)
 1.13A 2v7uA-4dqkA:
2.2		 2v7uA-4dqkA:
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.
2V7U_B_SAMB1299_1
(5'-FLUORO-5'-DEOXY
ADENOSINE SYNTHETASE)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		4 / 7 ASP A 943
PHE A 935
SER A 966
ARG A 967
 None
None
SO4  A1103 (-2.8A)
SO4  A1103 (-3.7A)
 1.13A 2v7uB-4dqkA:
3.2		 2v7uB-4dqkA:
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.
2YFB_A_ACTA501_0
(METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		4 / 7 MET A 980
ASP A 983
VAL A 902
ILE A 900
 None
 1.14A 2yfbA-4dqkA:
undetectable		 2yfbA-4dqkA:
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.
3BGD_A_PM6A302_1
(THIOPURINE
S-METHYLTRANSFERASE)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		4 / 6 THR A 716
PHE A 719
LEU A 756
LEU A 802
 None
 1.20A 3bgdA-4dqkA:
undetectable		 3bgdA-4dqkA:
22.11
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		5 / 12 THR A 716
GLU A 806
LEU A 756
LEU A 802
LEU A 751
 None
 1.05A 3hm1A-4dqkA:
undetectable		 3hm1A-4dqkA:
22.25
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.
3MTE_A_SAMA220_0
(16S RRNA METHYLASE)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		5 / 12 GLY A 905
GLY A 936
VAL A 902
ALA A 909
SER A 966
 SO4  A1104 ( 4.2A)
None
None
FAD  A1101 ( 4.1A)
SO4  A1103 (-2.8A)
 1.07A 3mteA-4dqkA:
2.6		 3mteA-4dqkA:
20.20
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.
3P2K_D_SAMD6735_0
(16S RRNA METHYLASE)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		5 / 12 GLY A 905
GLY A 936
VAL A 902
ALA A 909
SER A 966
 SO4  A1104 ( 4.2A)
None
None
FAD  A1101 ( 4.1A)
SO4  A1103 (-2.8A)
 1.00A 3p2kD-4dqkA:
4.5		 3p2kD-4dqkA:
20.31
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.
3PGL_A_RZXA257_1
(CARBOXY-TERMINAL
DOMAIN RNA
POLYMERASE II
POLYPEPTIDE A SMALL
PHOSPHATASE 1)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		4 / 7 ASP A 983
PHE A 997
ILE A 999
TYR A 934
 None
 0.98A 3pglA-4dqkA:
2.7		 3pglA-4dqkA:
19.83
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		4 / 6 TYR A 695
ILE A 882
SER A 833
SER A 834
 None
 1.11A 3pmzD-4dqkA:
undetectable		 3pmzD-4dqkA:
18.35
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		4 / 8 VAL A 747
TYR A 753
VAL A 715
ILE A 819
 None
 1.02A 4aftD-4dqkA:
undetectable
4aftE-4dqkA:
undetectable		 4aftD-4dqkA:
19.14
4aftE-4dqkA:
19.14
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.
5CDP_H_EVPH2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		4 / 6 SER A 844
GLU A 686
GLY A 903
GLY A 905
 None
None
None
SO4  A1104 ( 4.2A)
 0.97A 5cdpA-4dqkA:
undetectable
5cdpB-4dqkA:
2.8		 5cdpA-4dqkA:
21.82
5cdpB-4dqkA:
20.21
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.
5ERG_B_SAMB401_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		5 / 12 ILE A 999
GLY A 903
HIS A 932
LEU A 891
PRO A 892
 None
 0.84A 5ergB-4dqkA:
3.7		 5ergB-4dqkA:
20.83
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.
5JWA_H_ACTH612_0
(NADH DEHYDROGENASE,
PUTATIVE)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		3 / 3 ARG A 828
PRO A 705
ASN A 707
 FAD  A1101 (-3.9A)
None
None
 1.10A 5jwaA-4dqkA:
3.8
5jwaH-4dqkA:
undetectable		 5jwaA-4dqkA:
22.20
5jwaH-4dqkA:
22.20
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.
5VW4_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		5 / 9 SER A 831
THR A 906
GLY A 907
ALA A 909
GLY A1001
 FAD  A1101 (-3.3A)
FAD  A1101 (-3.9A)
None
FAD  A1101 ( 4.1A)
None
 0.45A 5vw4A-4dqkA:
29.2		 5vw4A-4dqkA:
26.10
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.
5VW5_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		4 / 8 SER A 831
THR A 906
GLY A 907
GLY A1001
 FAD  A1101 (-3.3A)
FAD  A1101 (-3.9A)
None
None
 0.44A 5vw5A-4dqkA:
29.0		 5vw5A-4dqkA:
26.10
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.
5X80_C_SALC201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		4 / 7 VAL A 979
VAL A 902
GLY A 936
TYR A 975
 None
None
None
SO4  A1103 (-4.7A)
 0.98A 5x80C-4dqkA:
undetectable
5x80D-4dqkA:
undetectable		 5x80C-4dqkA:
19.08
5x80D-4dqkA:
19.08
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.
6A7P_A_9SCA601_0
(SERUM ALBUMIN)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		5 / 12 ILE A 687
VAL A 712
LEU A 756
GLY A 702
LEU A 869
 None
 1.24A 6a7pA-4dqkA:
undetectable		 6a7pA-4dqkA:
22.17