SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4qi3'

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.
1DIT_P_2PPP1_1
(ALPHA-THROMBIN
PEPTIDE INHIBITOR
CVS995)		 4qi3 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 6 LEU A  79
GLU A 106
ASP A 103
PRO A 102
 HEM  A 401 ( 3.6A)
None
None
HEM  A 401 ( 4.7A)
 1.22A 1ditH-4qi3A:
undetectable
1ditP-4qi3A:
undetectable		 1ditH-4qi3A:
21.00
1ditP-4qi3A:
7.61
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.
1SH9_B_RITB301_2
(POL POLYPROTEIN)		 4qi3 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 10 GLY A  72
ILE A  80
GLY A  67
PRO A 102
ALA A  96
 None
None
HEM  A 401 (-3.5A)
HEM  A 401 ( 4.7A)
None
 1.07A 1sh9B-4qi3A:
undetectable		 1sh9B-4qi3A:
18.92
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.
2BFP_D_H4BD1290_1
(PTERIDINE REDUCTASE
1)		 4qi3 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 8 PHE A  35
LEU A 153
LEU A 187
LEU A  39
 None
 0.99A 2bfpD-4qi3A:
undetectable		 2bfpD-4qi3A:
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.
3EEY_A_SAMA300_0
(PUTATIVE RRNA
METHYLASE)		 4qi3 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 THR A  19
ASN A   3
GLY A  53
ASN A   6
THR A  34
 None
PCA  A   1 ( 4.5A)
None
None
None
 1.05A 3eeyA-4qi3A:
undetectable		 3eeyA-4qi3A:
16.36
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)		 4qi3 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 THR A  19
ASN A   3
GLY A  53
ASN A   6
THR A  34
 None
PCA  A   1 ( 4.5A)
None
None
None
 1.04A 3eeyB-4qi3A:
undetectable		 3eeyB-4qi3A:
16.36
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_C_SAMC300_0
(PUTATIVE RRNA
METHYLASE)		 4qi3 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 THR A  19
ASN A   3
GLY A  53
ASN A   6
THR A  34
 None
PCA  A   1 ( 4.5A)
None
None
None
 1.04A 3eeyC-4qi3A:
undetectable		 3eeyC-4qi3A:
16.36
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_D_SAMD300_0
(PUTATIVE RRNA
METHYLASE)		 4qi3 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 THR A  19
ASN A   3
GLY A  53
ASN A   6
THR A  34
 None
PCA  A   1 ( 4.5A)
None
None
None
 1.03A 3eeyD-4qi3A:
undetectable		 3eeyD-4qi3A:
16.36
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_E_SAME300_0
(PUTATIVE RRNA
METHYLASE)		 4qi3 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 THR A  19
ASN A   3
GLY A  53
ASN A   6
THR A  34
 None
PCA  A   1 ( 4.5A)
None
None
None
 1.05A 3eeyE-4qi3A:
undetectable		 3eeyE-4qi3A:
16.36
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_H_SAMH300_0
(PUTATIVE RRNA
METHYLASE)		 4qi3 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 THR A  19
ASN A   3
GLY A  53
ASN A   6
THR A  34
 None
PCA  A   1 ( 4.5A)
None
None
None
 1.05A 3eeyH-4qi3A:
undetectable		 3eeyH-4qi3A:
16.36
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_I_SAMI300_0
(PUTATIVE RRNA
METHYLASE)		 4qi3 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 THR A  19
ASN A   3
GLY A  53
ASN A   6
THR A  34
 None
PCA  A   1 ( 4.5A)
None
None
None
 1.04A 3eeyI-4qi3A:
undetectable		 3eeyI-4qi3A:
16.36
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_J_SAMJ300_0
(PUTATIVE RRNA
METHYLASE)		 4qi3 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 THR A  19
ASN A   3
GLY A  53
ASN A   6
THR A  34
 None
PCA  A   1 ( 4.5A)
None
None
None
 1.02A 3eeyJ-4qi3A:
undetectable		 3eeyJ-4qi3A:
16.36
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.
3NUO_B_478B478_1
(PROTEASE)		 4qi3 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 9 ASP A 161
GLY A  67
ILE A  80
PRO A 102
ILE A 171
 None
HEM  A 401 (-3.5A)
None
HEM  A 401 ( 4.7A)
None
 1.13A 3nuoA-4qi3A:
undetectable		 3nuoA-4qi3A:
21.93
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.
5LW1_H_ADNH401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 4qi3 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 9 GLY A 149
ALA A 144
ASN A  18
VAL A  37
LEU A  39
 MG  A 407 (-3.8A)
None
None
None
None
 1.01A 5lw1H-4qi3A:
undetectable		 5lw1H-4qi3A:
22.05
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.
5M0O_A_EPAA502_1
(TERMINAL
OLEFIN-FORMING FATTY
ACID DECARBOXYLASE)		 4qi3 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 10 LEU A  55
ILE A  80
PHE A  35
PHE A  51
VAL A  37
 None
 1.43A 5m0oA-4qi3A:
undetectable		 5m0oA-4qi3A:
17.55
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.
5M0O_C_EPAC502_1
(TERMINAL
OLEFIN-FORMING FATTY
ACID DECARBOXYLASE)		 4qi3 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 8 LEU A  55
ILE A  80
PHE A  35
PHE A  51
 None
 0.95A 5m0oC-4qi3A:
undetectable		 5m0oC-4qi3A:
17.31
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.
5M24_A_9CRA501_1
(RETINOIC ACID
RECEPTOR GAMMA)		 4qi3 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		5 / 12 ALA A 109
LEU A  78
ILE A  80
SER A  92
PHE A  51
 None
 1.06A 5m24A-4qi3A:
undetectable		 5m24A-4qi3A:
18.75
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.
6CDU_A_EY4A501_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 4qi3 CELLOBIOSE
DEHYDROGENASE
(Crassicarpon
hotsonii) 		4 / 5 GLN A 186
VAL A   4
TRP A  20
THR A   7
 MG  A 407 ( 2.9A)
None
None
None
 1.24A 6cduA-4qi3A:
undetectable
6cduB-4qi3A:
undetectable		 6cduA-4qi3A:
20.00
6cduB-4qi3A:
20.00