SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4gqa'

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.
1MSK_A_SAMA1301_0
(COBALAMIN-DEPENDENT
METHIONINE SYNTHASE)		 4gqa NAD BINDING
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 10 ASP A 151
ARG A 300
PRO A 138
PRO A 320
ALA A 321
 None
 1.48A 1mskA-4gqaA:
0.7		 1mskA-4gqaA:
20.46
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.
2JST_A_HLTA101_1
(FOUR-ALPHA-HELIX
BUNDLE)		 4gqa NAD BINDING
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		4 / 5 TRP A  66
ALA A  94
LEU A  86
ALA A  93
 None
 1.14A 2jstA-4gqaA:
undetectable
2jstB-4gqaA:
undetectable		 2jstA-4gqaA:
9.47
2jstB-4gqaA:
9.47
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.
3EEY_A_SAMA300_0
(PUTATIVE RRNA
METHYLASE)		 4gqa NAD BINDING
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 GLY A 365
ASN A 361
GLY A 192
HIS A 194
LEU A 107
 None
 1.11A 3eeyA-4gqaA:
2.4		 3eeyA-4gqaA:
18.49
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.
3EEY_B_SAMB300_0
(PUTATIVE RRNA
METHYLASE)		 4gqa NAD BINDING
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 GLY A 365
ASN A 361
GLY A 192
HIS A 194
LEU A 107
 None
 1.10A 3eeyB-4gqaA:
4.2		 3eeyB-4gqaA:
18.49
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.
3EEY_F_SAMF300_0
(PUTATIVE RRNA
METHYLASE)		 4gqa NAD BINDING
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 GLY A 365
ASN A 361
GLY A 192
HIS A 194
LEU A 107
 None
 0.96A 3eeyF-4gqaA:
4.6		 3eeyF-4gqaA:
18.49
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.
3TWP_C_SALC404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)		 4gqa NAD BINDING
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		4 / 7 ASN A 361
ARG A 370
ALA A 118
ARG A 122
 None
 1.13A 3twpC-4gqaA:
3.3		 3twpC-4gqaA:
24.95
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.
4DRH_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 4gqa NAD BINDING
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 TYR A  23
ASP A  79
HIS A  19
VAL A 349
ILE A 352
 None
 1.12A 4drhA-4gqaA:
undetectable		 4drhA-4gqaA:
17.21
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.
4DRH_D_RAPD201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 4gqa NAD BINDING
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 TYR A  23
ASP A  79
HIS A  19
VAL A 349
ILE A 352
 None
 1.08A 4drhD-4gqaA:
undetectable		 4drhD-4gqaA:
17.21
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.
4M7T_A_SAMA503_0
(BTRN)		 4gqa NAD BINDING
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 11 TYR A  23
THR A  81
HIS A  19
LEU A   9
LEU A  39
 None
 1.37A 4m7tA-4gqaA:
undetectable		 4m7tA-4gqaA:
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.
4MBS_A_MRVA1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)		 4gqa NAD BINDING
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		4 / 7 TYR A  30
GLN A  17
LEU A   9
THR A  81
 None
 1.04A 4mbsA-4gqaA:
undetectable		 4mbsA-4gqaA:
20.98
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.
4XDR_A_ADNA402_1
(FAD:PROTEIN FMN
TRANSFERASE)		 4gqa NAD BINDING
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 GLY A  58
ALA A  59
HIS A  38
ILE A   7
VAL A  75
 None
 0.95A 4xdrA-4gqaA:
undetectable		 4xdrA-4gqaA:
24.42
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.
5A06_A_SORA1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4gqa NAD BINDING
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		4 / 6 ASP A  76
LYS A  99
HIS A 100
ILE A 352
 None
 0.62A 5a06A-4gqaA:
36.2		 5a06A-4gqaA:
27.99
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.
5A06_B_SORB1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4gqa NAD BINDING
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		4 / 5 ASP A  76
LYS A  99
HIS A 100
ILE A 352
 None
 0.68A 5a06B-4gqaA:
36.3		 5a06B-4gqaA:
27.99
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.
5A06_D_SORD1344_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4gqa NAD BINDING
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		4 / 5 ASP A  76
LYS A  99
HIS A 100
ILE A 352
 None
 0.62A 5a06D-4gqaA:
36.2		 5a06D-4gqaA:
27.99
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.
5A06_F_SORF1344_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4gqa NAD BINDING
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		4 / 5 ASP A  76
LYS A  99
HIS A 100
ILE A 352
 None
 0.63A 5a06F-4gqaA:
36.2		 5a06F-4gqaA:
27.99
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.
5IGY_A_ERYA403_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 4gqa NAD BINDING
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 ILE A 262
GLY A 160
ALA A 258
ILE A 135
PHE A 132
 None
 1.17A 5igyA-4gqaA:
1.5		 5igyA-4gqaA:
20.98
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.
5WYQ_A_SAMA401_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 4gqa NAD BINDING
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 GLY A 153
GLY A 150
VAL A 298
GLY A 284
GLY A 281
 None
 1.00A 5wyqA-4gqaA:
undetectable		 5wyqA-4gqaA:
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.
5X7P_B_ACRB1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 4gqa NAD BINDING
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		4 / 5 HIS A  87
ASP A 190
GLY A 189
ASN A  84
 None
 1.19A 5x7pB-4gqaA:
undetectable		 5x7pB-4gqaA:
15.25
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.
6NKN_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4gqa NAD BINDING
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 ARG A 370
LEU A 366
PHE A 362
 None
 0.46A 6nknP-4gqaA:
undetectable		 6nknP-4gqaA:
20.29