SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3KM'


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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BCU_H_PRLH280_0
(ALPHA-THROMBIN)		 4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens) 		6 / 9 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 3KM  A 900 (-2.9A)
3KM  A 900 (-3.6A)
None
None
3KM  A 900 (-3.4A)
3KM  A 900 (-3.2A)
 0.32A 1bcuH-4r0iA:
37.3		 1bcuH-4r0iA:
35.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DWC_H_MITH1_1
(ALPHA-THROMBIN
(LARGE SUBUNIT))		 4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens) 		5 / 9 HIS A  57
ASP A 189
SER A 195
TRP A 215
GLY A 226
 3KM  A 900 ( 4.4A)
3KM  A 900 (-2.9A)
3KM  A 900 (-3.6A)
None
3KM  A 900 (-3.2A)
 0.42A 1dwcH-4r0iA:
36.4		 1dwcH-4r0iA:
35.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		 4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens) 		7 / 12 HIS A  57
ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 3KM  A 900 ( 4.4A)
3KM  A 900 (-2.9A)
3KM  A 900 (-3.6A)
None
None
3KM  A 900 (-3.4A)
3KM  A 900 (-3.2A)
 0.50A 1etrH-4r0iA:
36.1		 1etrH-4r0iA:
35.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens) 		7 / 8 ASP A 189
SER A 190
GLN A 192
SER A 195
VAL A 213
GLY A 216
GLY A 226
 3KM  A 900 (-2.9A)
3KM  A 900 (-2.9A)
None
3KM  A 900 (-3.6A)
None
3KM  A 900 (-3.4A)
3KM  A 900 (-3.2A)
 0.40A 1f5lA-4r0iA:
36.7		 1f5lA-4r0iA:
33.46
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.
1GXS_A_BEZA601_0
(P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B)		 4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens) 		4 / 7 GLY A 216
ASP A 102
HIS A  57
ALA A  55
 3KM  A 900 (-3.4A)
None
3KM  A 900 ( 4.4A)
None
 0.98A 1gxsA-4r0iA:
undetectable
1gxsB-4r0iA:
undetectable		 1gxsA-4r0iA:
21.15
1gxsB-4r0iA:
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.
1RQP_B_SAMB500_1
(5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE)		 4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens) 		4 / 8 ASP A 102
PHE A  94
SER A 195
ALA A 104
 None
None
3KM  A 900 (-3.6A)
None
 1.14A 1rqpC-4r0iA:
undetectable		 1rqpC-4r0iA:
20.06
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.
1RQP_C_SAMC500_0
(5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE)		 4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens) 		4 / 8 ASP A 102
PHE A  94
SER A 195
ALA A 104
 None
None
3KM  A 900 (-3.6A)
None
 1.12A 1rqpA-4r0iA:
undetectable		 1rqpA-4r0iA:
20.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)		 4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens) 		6 / 6 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
 3KM  A 900 (-2.9A)
3KM  A 900 (-2.9A)
3KM  A 900 (-3.6A)
None
3KM  A 900 (-3.4A)
3KM  A 900 (-3.2A)
 0.22A 1tnlA-4r0iA:
37.5		 1tnlA-4r0iA:
39.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OTV_A_NCAA1301_0
(CATIONIC TRYPSIN)		 4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens) 		6 / 6 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
 3KM  A 900 (-2.9A)
3KM  A 900 (-2.9A)
3KM  A 900 (-3.6A)
None
3KM  A 900 (-3.4A)
3KM  A 900 (-3.2A)
 0.15A 2otvA-4r0iA:
37.6		 2otvA-4r0iA:
40.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2P16_A_GG2A298_1
(COAGULATION FACTOR X
(EC 3.4.21.6)
(STUART FACTOR)
(STUART-PROWER
FACTOR))		 4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens) 		7 / 12 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
TYR A 228
 3KM  A 900 (-2.9A)
3KM  A 900 (-3.6A)
None
None
3KM  A 900 (-3.4A)
3KM  A 900 (-3.2A)
None
 0.28A 2p16A-4r0iA:
36.8		 2p16A-4r0iA:
33.33
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.
2QO6_A_CHDA130_0
(LIVER-BASIC FATTY
ACID BINDING PROTEIN)		 4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens) 		5 / 12 LEU A 106
ILE A  88
LEU A  85
VAL A  31
HIS A  57
 None
None
None
None
3KM  A 900 ( 4.4A)
 1.31A 2qo6A-4r0iA:
undetectable		 2qo6A-4r0iA:
20.08
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.
2V7U_A_SAMA1299_0
(5'-FLUORO-5'-DEOXY
ADENOSINE SYNTHETASE)		 4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens) 		4 / 8 ASP A 102
PHE A  94
SER A 195
ALA A 104
 None
None
3KM  A 900 (-3.6A)
None
 1.13A 2v7uA-4r0iA:
undetectable		 2v7uA-4r0iA:
20.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W26_A_RIVA1001_1
(ACTIVATED FACTOR XA
HEAVY CHAIN)		 4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens) 		8 / 12 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 219
GLY A 226
TYR A 228
 3KM  A 900 (-2.9A)
3KM  A 900 (-3.6A)
None
None
3KM  A 900 (-3.4A)
3KM  A 900 (-3.9A)
3KM  A 900 (-3.2A)
None
 0.32A 2w26A-4r0iA:
36.9		 2w26A-4r0iA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		 4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens) 		8 / 11 HIS A  57
GLN A 175
ASP A 189
SER A 190
SER A 195
TRP A 215
GLY A 216
GLY A 226
 3KM  A 900 ( 4.4A)
None
3KM  A 900 (-2.9A)
3KM  A 900 (-2.9A)
3KM  A 900 (-3.6A)
None
3KM  A 900 (-3.4A)
3KM  A 900 (-3.2A)
 0.50A 3gy3A-4r0iA:
37.2		 3gy3A-4r0iA:
40.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RXF_A_4APA9_1
(CATIONIC TRYPSIN)		 4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens) 		6 / 6 SER A 190
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 3KM  A 900 (-2.9A)
3KM  A 900 (-3.6A)
None
None
3KM  A 900 (-3.4A)
3KM  A 900 (-3.2A)
 0.24A 3rxfA-4r0iA:
15.1		 3rxfA-4r0iA:
40.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RXH_A_HSMA7_1
(CATIONIC TRYPSIN)		 4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens) 		5 / 5 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 226
 3KM  A 900 (-2.9A)
3KM  A 900 (-2.9A)
3KM  A 900 (-3.6A)
None
3KM  A 900 (-3.2A)
 0.23A 3rxhA-4r0iA:
37.7		 3rxhA-4r0iA:
40.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FU8_A_ACTA302_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens) 		4 / 5 HIS A  57
GLN A 192
GLY A 193
SER A 195
 3KM  A 900 ( 4.4A)
None
None
3KM  A 900 (-3.6A)
 0.26A 4fu8A-4r0iA:
37.0		 4fu8A-4r0iA:
33.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HFP_D_15UD402_1
(PROTHROMBIN)		 4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens) 		5 / 12 HIS A  57
ASP A 189
VAL A 213
TRP A 215
GLY A 226
 3KM  A 900 ( 4.4A)
3KM  A 900 (-2.9A)
None
None
3KM  A 900 (-3.2A)
 0.36A 4hfpD-4r0iA:
36.0		 4hfpD-4r0iA:
35.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		 4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens) 		5 / 12 HIS A  57
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 3KM  A 900 ( 4.4A)
None
None
3KM  A 900 (-3.4A)
3KM  A 900 (-3.2A)
 0.35A 4rn6B-4r0iA:
30.4		 4rn6B-4r0iA:
31.40
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.
5MUG_A_VIVA301_1
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens) 		3 / 3 SER A 214
SER A 195
PHE A  94
 None
3KM  A 900 (-3.6A)
None
 0.92A 5mugA-4r0iA:
undetectable		 5mugA-4r0iA:
19.60