SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1geg'

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.
1SG9_A_SAMA301_1
(HEMK PROTEIN)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		4 / 4 THR A 187
GLY A  11
ASP A  33
ALA A  87
 NAD  A2001 (-2.7A)
NAD  A2001 ( 4.1A)
NAD  A2001 (-2.8A)
NAD  A2001 (-3.6A)
 1.18A 1sg9A-1gegA:
6.7		 1sg9A-1gegA:
23.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		6 / 11 GLY A   9
ASP A  33
ASP A  59
VAL A  60
ALA A  87
VAL A  89
 NAD  A2001 (-3.5A)
NAD  A2001 (-2.8A)
NAD  A2001 (-3.6A)
NAD  A2001 (-3.5A)
NAD  A2001 (-3.6A)
None
 0.30A 1uayA-1gegA:
31.3		 1uayA-1gegA:
31.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_B_ADNB1002_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		6 / 10 GLY A   9
ASP A  33
ASP A  59
VAL A  60
ALA A  87
VAL A  89
 NAD  A2001 (-3.5A)
NAD  A2001 (-2.8A)
NAD  A2001 (-3.6A)
NAD  A2001 (-3.5A)
NAD  A2001 (-3.6A)
None
 0.33A 1uayB-1gegA:
31.1		 1uayB-1gegA:
31.23
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.
1ZQ9_B_SAMB4001_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 GLY A   9
GLY A  11
ASP A  59
VAL A  60
ILE A 109
 NAD  A2001 (-3.5A)
NAD  A2001 ( 4.1A)
NAD  A2001 (-3.6A)
NAD  A2001 (-3.5A)
NAD  A2001 (-3.8A)
 0.85A 1zq9B-1gegA:
5.7		 1zq9B-1gegA:
23.70
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.
2BM9_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 GLY A   9
ASP A  33
ASP A  59
ASN A  86
ALA A  87
 NAD  A2001 (-3.5A)
NAD  A2001 (-2.8A)
NAD  A2001 (-3.6A)
NAD  A2001 (-3.4A)
NAD  A2001 (-3.6A)
 0.96A 2bm9E-1gegA:
5.2		 2bm9E-1gegA:
22.26
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.
3AY0_B_ADNB402_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		5 / 10 GLY A  11
ASP A  33
ASN A  35
ASP A  59
VAL A  60
 NAD  A2001 ( 4.1A)
NAD  A2001 (-2.8A)
None
NAD  A2001 (-3.6A)
NAD  A2001 (-3.5A)
 0.69A 3ay0B-1gegA:
6.5		 3ay0B-1gegA:
19.71
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.
3H52_B_486B1_2
(GLUCOCORTICOID
RECEPTOR)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 GLY A 183
VAL A 185
LEU A 218
CYH A 230
ILE A  14
 BME  A1462 ( 3.9A)
NAD  A2001 (-3.6A)
None
None
NAD  A2001 (-3.9A)
 1.23A 3h52B-1gegA:
undetectable		 3h52B-1gegA:
18.93
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.
3K4V_B_ROCB201_1
(HIV-1 PROTEASE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 GLY A   9
ALA A  10
ILE A  83
VAL A  54
ILE A  31
 NAD  A2001 (-3.5A)
None
None
None
None
 0.85A 3k4vA-1gegA:
undetectable		 3k4vA-1gegA:
18.01
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.
3NDT_A_ROCA101_1
(PROTEASE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 GLY A   9
ALA A  10
ILE A  83
VAL A  54
ILE A  31
 NAD  A2001 (-3.5A)
None
None
None
None
 0.87A 3ndtA-1gegA:
undetectable		 3ndtA-1gegA:
18.01
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.
3OU7_C_SAMC300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 GLY A  11
ASP A  33
ASP A  59
 NAD  A2001 ( 4.1A)
NAD  A2001 (-2.8A)
NAD  A2001 (-3.6A)
 0.45A 3ou7C-1gegA:
5.5		 3ou7C-1gegA:
21.56
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.
3Q87_B_SAMB300_0
(N6 ADENINE SPECIFIC
DNA METHYLASE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 GLY A   9
ILE A  18
ASP A  33
ASN A  35
ASP A  59
 NAD  A2001 (-3.5A)
None
NAD  A2001 (-2.8A)
None
NAD  A2001 (-3.6A)
 0.64A 3q87B-1gegA:
6.4		 3q87B-1gegA:
20.96
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.
3Q87_B_SAMB300_0
(N6 ADENINE SPECIFIC
DNA METHYLASE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		6 / 12 THR A 187
GLY A   9
ILE A  14
ASP A  33
ASN A  35
ASP A  59
 NAD  A2001 (-2.7A)
NAD  A2001 (-3.5A)
NAD  A2001 (-3.9A)
NAD  A2001 (-2.8A)
None
NAD  A2001 (-3.6A)
 1.45A 3q87B-1gegA:
6.4		 3q87B-1gegA:
20.96
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.
3UQ6_A_ADNA401_2
(ADENOSINE KINASE,
PUTATIVE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		4 / 5 LEU A 170
ALA A 121
PHE A 125
ASN A 136
 None
 1.45A 3uq6A-1gegA:
6.6		 3uq6A-1gegA:
24.80
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.
3VAQ_A_ADNA401_2
(PUTATIVE ADENOSINE
KINASE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		4 / 4 LEU A 170
ALA A 121
PHE A 125
ASN A 136
 None
 1.38A 3vaqA-1gegA:
6.6		 3vaqA-1gegA:
25.07
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.
3VAS_A_ADNA401_2
(PUTATIVE ADENOSINE
KINASE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		4 / 4 LEU A 170
ALA A 121
PHE A 125
ASN A 136
 None
 1.39A 3vasA-1gegA:
6.7		 3vasA-1gegA:
24.93
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.
4E1G_B_LNLB701_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		4 / 7 VAL A 227
VAL A 231
LEU A 234
VAL A  82
 None
 1.10A 4e1gB-1gegA:
undetectable		 4e1gB-1gegA:
17.47
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.
4JX1_F_CAMF502_0
(CAMPHOR
5-MONOOXYGENASE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		4 / 4 TYR A 180
THR A   8
VAL A 114
ILE A 135
 None
 1.33A 4jx1F-1gegA:
0.0		 4jx1F-1gegA:
19.11
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.
4U15_A_0HKA2001_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 ASP A  59
TYR A  34
THR A  38
ALA A  37
ALA A  39
 NAD  A2001 (-3.6A)
NAD  A2001 (-4.0A)
None
None
None
 1.48A 4u15A-1gegA:
undetectable		 4u15A-1gegA:
18.68
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		5 / 8 ALA A  10
ILE A  18
ALA A  28
PHE A  27
LEU A  22
 None
 1.41A 4v1fA-1gegA:
undetectable
4v1fB-1gegA:
undetectable		 4v1fA-1gegA:
19.20
4v1fB-1gegA:
19.20
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.
4W5O_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		4 / 7 ILE A 184
GLN A 140
PRO A 182
ILE A 249
 None
BME  A1462 (-3.9A)
NAD  A2001 ( 3.7A)
None
 1.08A 4w5oA-1gegA:
3.6		 4w5oA-1gegA:
13.85
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.
4Z4E_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		4 / 7 ILE A 184
GLN A 140
PRO A 182
ILE A 249
 None
BME  A1462 (-3.9A)
NAD  A2001 ( 3.7A)
None
 1.04A 4z4eA-1gegA:
undetectable		 4z4eA-1gegA:
13.85
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.
4Z4G_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		4 / 7 ILE A 184
GLN A 140
PRO A 182
ILE A 249
 None
BME  A1462 (-3.9A)
NAD  A2001 ( 3.7A)
None
 1.06A 4z4gA-1gegA:
3.4		 4z4gA-1gegA:
13.85
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.
5C0O_F_SAMF301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 THR A  76
GLY A  79
GLY A  78
LEU A  77
ALA A 120
 None
 0.93A 5c0oF-1gegA:
5.8		 5c0oF-1gegA:
21.72
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.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		4 / 5 ASN A 178
LEU A 247
THR A 163
CYH A 181
 None
 1.49A 5eu8A-1gegA:
0.0		 5eu8A-1gegA:
21.45
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.
5INZ_D_DVAD15_0
(THETA DEFENSIN-2,
D-PEPTIDE
THETA DEFENSIN-2,
L-PEPTIDE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 GLY A 179
CYH A 181
CYH A 138
 None
 0.76A 5inzB-1gegA:
undetectable		 5inzB-1gegA:
5.19
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.
5SXQ_B_NIZB808_1
(CATALASE-PEROXIDASE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		4 / 8 VAL A 144
GLY A 252
GLN A 140
LEU A 248
 None
None
BME  A1462 (-3.9A)
None
 1.08A 5sxqB-1gegA:
undetectable		 5sxqB-1gegA:
17.29
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.
5SYJ_A_NIZA809_1
(CATALASE-PEROXIDASE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		4 / 8 VAL A 144
GLY A 252
GLN A 140
LEU A 248
 None
None
BME  A1462 (-3.9A)
None
 1.10A 5syjA-1gegA:
undetectable		 5syjA-1gegA:
17.43
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.
5WQP_A_NCAA302_0
(PROBABLE
DEHYDROGENASE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		4 / 8 SER A 139
GLN A 140
TYR A 152
MET A 189
 BME  A1462 ( 2.8A)
BME  A1462 (-3.9A)
BME  A1462 ( 4.4A)
NAD  A2001 (-3.5A)
 1.05A 5wqpA-1gegA:
23.2		 5wqpA-1gegA:
27.52
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.
5WY0_A_SAMA800_0
(SMALL RNA
2'-O-METHYLTRANSFERA
SE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 GLY A   9
GLY A  11
ASP A  33
ASN A  35
ILE A  14
 NAD  A2001 (-3.5A)
NAD  A2001 ( 4.1A)
NAD  A2001 (-2.8A)
None
NAD  A2001 (-3.9A)
 0.69A 5wy0A-1gegA:
2.1		 5wy0A-1gegA:
22.43
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.
5WY0_A_SAMA800_0
(SMALL RNA
2'-O-METHYLTRANSFERA
SE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 GLY A   9
GLY A  11
ASP A  33
ASN A  35
VAL A  60
 NAD  A2001 (-3.5A)
NAD  A2001 ( 4.1A)
NAD  A2001 (-2.8A)
None
NAD  A2001 (-3.5A)
 0.64A 5wy0A-1gegA:
2.1		 5wy0A-1gegA:
22.43
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.
6B3A_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		6 / 12 GLY A   9
GLY A  11
TYR A  34
ASN A  35
ALA A  39
ASP A  59
 NAD  A2001 (-3.5A)
NAD  A2001 ( 4.1A)
NAD  A2001 (-4.0A)
None
None
NAD  A2001 (-3.6A)
 1.45A 6b3aA-1gegA:
3.0		 6b3aA-1gegA:
16.64
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.
6QXS_D_FOZD403_0
(THYMIDYLATE SYNTHASE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 PRO A 224
ILE A  18
LEU A   6
ASP A  33
GLY A  11
 None
None
None
NAD  A2001 (-2.8A)
NAD  A2001 ( 4.1A)
 1.32A 6qxsD-1gegA:
0.0		 6qxsD-1gegA:
20.25