SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4itu'

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.
1DBB_H_STRH229_1
(IGG1-KAPPA DB3 FAB
(HEAVY CHAIN)
IGG1-KAPPA DB3 FAB
(LIGHT CHAIN))		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		4 / 8 GLY A  15
ASN A  91
GLY A  14
VAL A 189
 None
NAI  A 301 (-3.4A)
NAI  A 301 (-3.3A)
NAI  A 301 (-4.0A)
 0.87A 1dbbH-4ituA:
undetectable
1dbbL-4ituA:
undetectable		 1dbbH-4ituA:
20.51
1dbbL-4ituA:
20.85
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.
1HSH_A_MK1A401_1
(HIV-II PROTEASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 GLY A 118
ASP A  64
GLY A  14
ILE A  75
ILE A  71
 None
NAI  A 301 (-3.6A)
NAI  A 301 (-3.3A)
None
None
 0.86A 1hshA-4ituA:
undetectable		 1hshA-4ituA:
17.84
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.
1QAO_A_SAMA245_0
(ERMC'
METHYLTRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		6 / 12 GLY A  14
GLY A  16
ASP A  40
LEU A  43
ASP A  64
ILE A  94
 NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
None
None
NAI  A 301 (-3.6A)
None
 0.91A 1qaoA-4ituA:
5.5		 1qaoA-4ituA:
18.64
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)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		7 / 11 GLY A  14
ASP A  38
LEU A  39
ASP A  64
VAL A  65
ALA A  92
VAL A 114
 NAI  A 301 (-3.3A)
NAI  A 301 (-2.8A)
NAI  A 301 (-3.9A)
NAI  A 301 (-3.6A)
NAI  A 301 (-3.5A)
NAI  A 301 ( 3.7A)
NAI  A 301 (-4.0A)
 0.53A 1uayA-4ituA:
30.6		 1uayA-4ituA:
30.88
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)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		7 / 10 GLY A  14
ASP A  38
LEU A  39
ASP A  64
VAL A  65
ALA A  92
VAL A 114
 NAI  A 301 (-3.3A)
NAI  A 301 (-2.8A)
NAI  A 301 (-3.9A)
NAI  A 301 (-3.6A)
NAI  A 301 (-3.5A)
NAI  A 301 ( 3.7A)
NAI  A 301 (-4.0A)
 0.57A 1uayB-4ituA:
30.6		 1uayB-4ituA:
30.88
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.
1ZQ9_A_SAMA4000_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 GLY A  16
LEU A  39
LEU A  43
ASP A  64
VAL A  65
 NAI  A 301 ( 4.6A)
NAI  A 301 (-3.9A)
None
NAI  A 301 (-3.6A)
NAI  A 301 (-3.5A)
 0.97A 1zq9A-4ituA:
6.0		 1zq9A-4ituA:
22.61
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.
1ZQ9_B_SAMB4001_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		6 / 12 GLY A  14
GLY A  16
LEU A  39
LEU A  43
ASP A  64
VAL A  65
 NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
NAI  A 301 (-3.9A)
None
NAI  A 301 (-3.6A)
NAI  A 301 (-3.5A)
 0.84A 1zq9B-4ituA:
6.0		 1zq9B-4ituA:
22.61
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.
1ZQ9_B_SAMB4001_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 GLY A  16
LEU A  39
LEU A  43
ASP A  64
ASN A  91
 NAI  A 301 ( 4.6A)
NAI  A 301 (-3.9A)
None
NAI  A 301 (-3.6A)
NAI  A 301 (-3.4A)
 0.84A 1zq9B-4ituA:
6.0		 1zq9B-4ituA:
22.61
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.
2BM9_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 GLY A  14
ASP A  38
ASP A  64
ASN A  91
ALA A  92
 NAI  A 301 (-3.3A)
NAI  A 301 (-2.8A)
NAI  A 301 (-3.6A)
NAI  A 301 (-3.4A)
NAI  A 301 ( 3.7A)
 0.97A 2bm9E-4ituA:
4.8		 2bm9E-4ituA:
20.27
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.
2CDQ_A_SAMA1500_0
(ASPARTOKINASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		4 / 8 SER A 123
ARG A 133
LEU A  85
GLU A  79
 None
 0.99A 2cdqA-4ituA:
undetectable		 2cdqA-4ituA:
22.82
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.
2CDQ_B_SAMB1500_0
(ASPARTOKINASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		4 / 7 SER A 123
ARG A 133
LEU A  85
GLU A  79
 None
 1.10A 2cdqB-4ituA:
undetectable		 2cdqB-4ituA:
22.82
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.
2QE6_A_SAMA400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ILE A  23
ALA A  22
GLY A  18
ILE A 226
GLY A  14
 None
None
NAI  A 301 (-3.5A)
None
NAI  A 301 (-3.3A)
 0.78A 2qe6A-4ituA:
4.5		 2qe6A-4ituA:
24.32
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.
2QE6_B_SAMB400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ILE A  23
ALA A  22
GLY A  18
ILE A 226
GLY A  14
 None
None
NAI  A 301 (-3.5A)
None
NAI  A 301 (-3.3A)
 0.88A 2qe6B-4ituA:
6.5		 2qe6B-4ituA:
24.32
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 LEU A 234
LEU A   5
ALA A  27
VAL A  34
LEU A  43
 None
 1.17A 3b0wA-4ituA:
undetectable		 3b0wA-4ituA:
22.22
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.
3C6G_A_VD3A701_1
(CYTOCHROME P450 2R1)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 LEU A  88
ALA A 122
ALA A  35
GLY A  16
THR A  66
 None
None
None
NAI  A 301 ( 4.6A)
NAI  A 301 ( 4.5A)
 1.03A 3c6gA-4ituA:
undetectable		 3c6gA-4ituA:
20.38
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.
3DMF_A_SAMA388_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 GLY A  14
ALA A  22
ASP A  64
VAL A  65
VAL A 114
 NAI  A 301 (-3.3A)
None
NAI  A 301 (-3.6A)
NAI  A 301 (-3.5A)
NAI  A 301 (-4.0A)
 0.97A 3dmfA-4ituA:
7.3		 3dmfA-4ituA:
21.96
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.
3DMF_A_SAMA388_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 GLY A  14
GLY A  16
ASP A  64
VAL A  65
VAL A 114
 NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
NAI  A 301 (-3.6A)
NAI  A 301 (-3.5A)
NAI  A 301 (-4.0A)
 0.88A 3dmfA-4ituA:
7.3		 3dmfA-4ituA:
21.96
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.
3FAL_A_REAA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 10 ILE A  12
ALA A  35
ALA A  44
VAL A 230
ILE A 231
 None
 0.98A 3falA-4ituA:
undetectable		 3falA-4ituA:
23.38
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.
3MG0_2_BO221405_1
(PROTEASOME COMPONENT
PRE3
PROTEASOME COMPONENT
PUP1)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ALA A  95
GLY A 149
ALA A 145
SER A  99
SER A 143
 1HS  A 302 ( 4.6A)
None
1HS  A 302 ( 4.0A)
None
1HS  A 302 ( 2.5A)
 0.90A 3mg02-4ituA:
undetectable
3mg0V-4ituA:
undetectable		 3mg02-4ituA:
22.58
3mg0V-4ituA:
24.46
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.
3OAP_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ILE A  12
ALA A  35
ALA A  44
VAL A 230
ILE A 231
 None
 0.95A 3oapA-4ituA:
undetectable		 3oapA-4ituA:
23.76
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.
3Q87_B_SAMB300_0
(N6 ADENINE SPECIFIC
DNA METHYLASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 GLY A  14
ILE A  23
ASP A  38
LEU A  39
ASP A  64
 NAI  A 301 (-3.3A)
None
NAI  A 301 (-2.8A)
NAI  A 301 (-3.9A)
NAI  A 301 (-3.6A)
 0.49A 3q87B-4ituA:
6.6		 3q87B-4ituA:
22.71
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.
3UVV_B_9CRB501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ILE A  12
ALA A  35
ALA A  44
VAL A 230
ILE A 231
 None
 0.96A 3uvvB-4ituA:
undetectable		 3uvvB-4ituA:
23.23
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.
3V8V_B_SAMB801_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 11 GLY A  16
ASP A  38
ASP A  40
ASP A  64
VAL A  65
 NAI  A 301 ( 4.6A)
NAI  A 301 (-2.8A)
None
NAI  A 301 (-3.6A)
NAI  A 301 (-3.5A)
 0.75A 3v8vB-4ituA:
5.9		 3v8vB-4ituA:
17.38
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.
3WAR_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		4 / 8 VAL A 184
VAL A 139
ILE A  12
ILE A  23
 None
 0.77A 3warA-4ituA:
undetectable		 3warA-4ituA:
20.56
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.
4HXY_B_ACAB502_1
(PLM1)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		4 / 7 SER A 143
TYR A 156
MET A 194
LEU A 198
 1HS  A 302 ( 2.5A)
1HS  A 302 ( 4.3A)
NAI  A 301 (-3.6A)
None
 1.10A 4hxyB-4ituA:
19.6		 4hxyB-4ituA:
23.30
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.
4IV0_A_SAMA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 VAL A  34
GLY A  16
GLY A  18
ILE A  12
SER A  47
 None
NAI  A 301 ( 4.6A)
NAI  A 301 (-3.5A)
None
None
 0.99A 4iv0A-4ituA:
6.8		 4iv0A-4ituA:
24.67
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.
4LBG_A_ADNA402_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 10 ALA A  32
ILE A 231
VAL A 230
ALA A  24
ILE A  23
 None
 1.05A 4lbgA-4ituA:
6.7		 4lbgA-4ituA:
25.00
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.
4LBG_B_ADNB402_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 9 ALA A  32
ILE A 231
VAL A 230
ALA A  24
ILE A  23
 None
 1.07A 4lbgB-4ituA:
3.9		 4lbgB-4ituA:
25.00
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.
4LG1_A_SAMA301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ALA A  22
GLY A  14
GLY A  16
ASP A  38
LEU A  43
 None
NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
NAI  A 301 (-2.8A)
None
 1.06A 4lg1A-4ituA:
7.4		 4lg1A-4ituA:
21.38
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.
4LG1_A_SAMA301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ALA A  24
GLY A  14
GLY A  16
ASP A  38
LEU A  43
 None
NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
NAI  A 301 (-2.8A)
None
 1.07A 4lg1A-4ituA:
7.4		 4lg1A-4ituA:
21.38
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.
4LG1_C_SAMC301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ALA A  22
GLY A  14
GLY A  16
ASP A  38
LEU A  43
 None
NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
NAI  A 301 (-2.8A)
None
 1.09A 4lg1C-4ituA:
3.4		 4lg1C-4ituA:
21.38
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.
4LG1_C_SAMC301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ALA A  24
GLY A  14
GLY A  16
ASP A  38
LEU A  43
 None
NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
NAI  A 301 (-2.8A)
None
 1.10A 4lg1C-4ituA:
3.4		 4lg1C-4ituA:
21.38
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.
4MWZ_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 VAL A  34
GLY A  16
GLY A  18
ILE A  12
SER A  47
 None
NAI  A 301 ( 4.6A)
NAI  A 301 (-3.5A)
None
None
 0.99A 4mwzB-4ituA:
6.6		 4mwzB-4ituA:
22.34
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.
4X5I_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		3 / 3 ASP A 225
ARG A   4
ARG A  29
 None
 0.91A 4x5iA-4ituA:
undetectable		 4x5iA-4ituA:
19.40
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.
5G08_A_Z80A1187_1
(FREQUENIN 2)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		4 / 6 ILE A 150
TYR A 156
PHE A  97
THR A 192
 1HS  A 302 ( 4.3A)
1HS  A 302 ( 4.3A)
None
NAI  A 301 (-2.8A)
 1.29A 5g08A-4ituA:
undetectable		 5g08A-4ituA:
20.80
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.
5ITZ_B_LOCB502_1
(TUBULIN BETA-2B
CHAIN)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 LEU A  88
ALA A 126
ALA A  35
ILE A  10
ILE A  82
 None
 1.09A 5itzB-4ituA:
6.7		 5itzB-4ituA:
21.96
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.
5KPC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 GLY A  14
GLY A  16
ASP A  64
VAL A  65
THR A  66
 NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
NAI  A 301 (-3.6A)
NAI  A 301 (-3.5A)
NAI  A 301 ( 4.5A)
 0.78A 5kpcB-4ituA:
5.2		 5kpcB-4ituA:
21.62
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.
5N0O_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ILE A  10
GLY A  87
VAL A 179
ALA A  27
VAL A 230
 None
 1.06A 5n0oA-4ituA:
undetectable		 5n0oA-4ituA:
20.65
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.
5N0O_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ILE A  10
GLY A  87
VAL A 179
ALA A  27
VAL A 230
 None
 1.06A 5n0oB-4ituA:
undetectable		 5n0oB-4ituA:
20.65
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.
5N0R_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ILE A  10
GLY A  87
VAL A 179
ALA A  27
VAL A 230
 None
 1.02A 5n0rA-4ituA:
undetectable		 5n0rA-4ituA:
20.19
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.
5N0S_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ILE A  10
GLY A  87
VAL A 179
ALA A  27
VAL A 230
 None
 1.05A 5n0sA-4ituA:
undetectable		 5n0sA-4ituA:
20.19
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.
5N0T_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ILE A  10
GLY A  87
VAL A 179
ALA A  27
VAL A 230
 None
 1.02A 5n0tA-4ituA:
undetectable		 5n0tA-4ituA:
20.19
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.
5N0T_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ILE A  10
GLY A  87
VAL A 179
ALA A  27
VAL A 230
 None
 1.04A 5n0tB-4ituA:
undetectable		 5n0tB-4ituA:
20.19
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.
5N0W_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ILE A  10
GLY A  87
VAL A 179
ALA A  27
VAL A 230
 None
 1.03A 5n0wA-4ituA:
undetectable		 5n0wA-4ituA:
20.19
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.
5N0W_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ILE A  10
GLY A  87
VAL A 179
ALA A  27
VAL A 230
 None
 1.05A 5n0wB-4ituA:
undetectable		 5n0wB-4ituA:
20.19
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.
5N0X_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ILE A  10
GLY A  87
VAL A 179
ALA A  27
VAL A 230
 None
 1.04A 5n0xA-4ituA:
undetectable		 5n0xA-4ituA:
20.19
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.
5N0X_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ILE A  10
GLY A  87
VAL A 179
ALA A  27
VAL A 230
 None
 1.03A 5n0xB-4ituA:
undetectable		 5n0xB-4ituA:
20.19
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.
5N4I_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ILE A  10
GLY A  87
VAL A 179
ALA A  27
VAL A 230
 None
 1.00A 5n4iA-4ituA:
undetectable		 5n4iA-4ituA:
20.19
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.
6BXN_B_SAMB901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 LEU A 198
GLY A 195
VAL A 248
ILE A 226
ASP A 225
 None
NAI  A 301 ( 4.2A)
None
None
None
 1.38A 6bxnB-4ituA:
undetectable		 6bxnB-4ituA:
25.49
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.
6IFT_A_SAMA301_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 GLY A  14
GLY A  16
ASP A  40
LEU A  43
VAL A  65
 NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
None
None
NAI  A 301 (-3.5A)
 0.90A 6iftA-4ituA:
5.6		 6iftA-4ituA:
24.14