SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2gw3'

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.
1U18_A_HSMA401_1
(NITROPHORIN 1)		 2gw3 KAEDE
(Trachyphyllia
geoffroyi) 		4 / 4 ASP A  55
LEU A 162
LEU A 137
LEU A 161
 None
 1.23A 1u18A-2gw3A:
undetectable		 1u18A-2gw3A:
24.05
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.
2JFA_B_RALB600_1
(ESTROGEN RECEPTOR)		 2gw3 KAEDE
(Trachyphyllia
geoffroyi) 		5 / 12 GLU A 212
ARG A  66
MET A  14
GLY A  27
LEU A  42
 CR8  A  63 ( 3.6A)
CR8  A  63 ( 3.0A)
None
None
None
 1.08A 2jfaB-2gw3A:
undetectable		 2jfaB-2gw3A:
21.24
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.
2X91_A_LPRA1615_2
(ANGIOTENSIN
CONVERTING ENZYME)		 2gw3 KAEDE
(Trachyphyllia
geoffroyi) 		3 / 3 SER A  92
THR A 104
PHE A  23
 None
 0.75A 2x91A-2gw3A:
undetectable		 2x91A-2gw3A:
17.14
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.
2Z0Y_B_SAMB400_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0657)		 2gw3 KAEDE
(Trachyphyllia
geoffroyi) 		5 / 9 ALA A 103
VAL A 118
GLY A  16
ILE A  56
ALA A  60
 None
 0.91A 2z0yB-2gw3A:
undetectable		 2z0yB-2gw3A:
21.03
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.
2ZBU_D_ADND504_1
(UNCHARACTERIZED
CONSERVED PROTEIN)		 2gw3 KAEDE
(Trachyphyllia
geoffroyi) 		3 / 3 PHE A 114
ASN A  65
PHE A  87
 None
CR8  A  63 ( 4.8A)
None
 0.87A 2zbuD-2gw3A:
undetectable		 2zbuD-2gw3A:
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.
2ZIF_A_SAMA298_0
(PUTATIVE
MODIFICATION
METHYLASE)		 2gw3 KAEDE
(Trachyphyllia
geoffroyi) 		6 / 12 SER A  92
PHE A 173
GLY A 155
THR A 154
THR A 176
GLU A 144
 None
 1.34A 2zifA-2gw3A:
undetectable		 2zifA-2gw3A:
21.67
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.
3BA0_A_HAEA477_1
(MACROPHAGE
METALLOELASTASE)		 2gw3 KAEDE
(Trachyphyllia
geoffroyi) 		3 / 3 HIS A 213
GLU A 212
HIS A 194
 None
CR8  A  63 ( 3.6A)
CR8  A  63 ( 3.6A)
 0.80A 3ba0A-2gw3A:
undetectable		 3ba0A-2gw3A:
20.49
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.
4KLR_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2gw3 KAEDE
(Trachyphyllia
geoffroyi) 		3 / 3 LEU A  50
PRO A  51
ARG A 119
 None
 0.60A 4klrB-2gw3A:
undetectable		 4klrB-2gw3A:
22.35
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.
4X20_D_LOCD502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 2gw3 KAEDE
(Trachyphyllia
geoffroyi) 		3 / 3 SER A 218
ALA A 216
VAL A 215
 None
 0.58A 4x20C-2gw3A:
undetectable		 4x20C-2gw3A:
19.59
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.
4Z3O_F_MFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT
B,PARE30-PARC55
FUSED TOPO IV FROM
S. PNEUMONIAE
E-SITE DNA)		 2gw3 KAEDE
(Trachyphyllia
geoffroyi) 		4 / 5 ARG A  66
GLY A  36
GLU A 212
SER A   2
 CR8  A  63 ( 3.0A)
None
CR8  A  63 ( 3.6A)
None
 1.24A 4z3oA-2gw3A:
undetectable
4z3oB-2gw3A:
undetectable		 4z3oA-2gw3A:
14.85
4z3oB-2gw3A:
14.85
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.
5BTI_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 2gw3 KAEDE
(Trachyphyllia
geoffroyi) 		4 / 5 SER A   2
ARG A  66
GLY A  36
GLU A 212
 None
CR8  A  63 ( 3.0A)
None
CR8  A  63 ( 3.6A)
 1.21A 5btiA-2gw3A:
undetectable
5btiB-2gw3A:
undetectable		 5btiA-2gw3A:
20.12
5btiB-2gw3A:
23.99
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.
5BTI_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2gw3 KAEDE
(Trachyphyllia
geoffroyi) 		4 / 5 SER A   2
ARG A  66
GLY A  36
GLU A 212
 None
CR8  A  63 ( 3.0A)
None
CR8  A  63 ( 3.6A)
 1.14A 5btiC-2gw3A:
undetectable
5btiD-2gw3A:
undetectable		 5btiC-2gw3A:
20.12
5btiD-2gw3A:
23.99
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.
5CDQ_V_MFXV2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 2gw3 KAEDE
(Trachyphyllia
geoffroyi) 		4 / 5 SER A   2
ARG A  66
GLY A  36
GLU A 212
 None
CR8  A  63 ( 3.0A)
None
CR8  A  63 ( 3.6A)
 1.18A 5cdqR-2gw3A:
undetectable
5cdqS-2gw3A:
undetectable
5cdqT-2gw3A:
undetectable		 5cdqR-2gw3A:
21.81
5cdqS-2gw3A:
24.90
5cdqT-2gw3A:
21.81
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.
5HW8_C_FK5C201_1
(FK506-BINDING
PROTEIN 1)		 2gw3 KAEDE
(Trachyphyllia
geoffroyi) 		5 / 10 TYR A 177
ARG A  91
VAL A  67
TYR A  71
ILE A 196
 None
CR8  A  63 ( 3.0A)
None
None
CR8  A  63 ( 3.6A)
 1.31A 5hw8C-2gw3A:
undetectable
5hw8H-2gw3A:
undetectable		 5hw8C-2gw3A:
21.79
5hw8H-2gw3A:
21.79
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.
5KBW_B_RBFB201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		 2gw3 KAEDE
(Trachyphyllia
geoffroyi) 		5 / 12 LEU A 210
LYS A 209
ASP A  28
GLY A  27
ALA A  60
 CR8  A  63 ( 3.8A)
None
None
None
None
 1.40A 5kbwB-2gw3A:
undetectable		 5kbwB-2gw3A:
23.05
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.
5X24_A_LSNA503_1
(CYTOCHROME P450 2C9)		 2gw3 KAEDE
(Trachyphyllia
geoffroyi) 		4 / 6 PHE A 125
PRO A 126
GLY A 129
ASN A 128
 None
 0.83A 5x24A-2gw3A:
undetectable		 5x24A-2gw3A:
18.30
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.
6DJZ_B_GMJB301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 2gw3 KAEDE
(Trachyphyllia
geoffroyi) 		5 / 12 TRP A  89
LEU A  93
HIS A 194
THR A  58
LEU A  57
 CR8  A  63 ( 4.0A)
None
CR8  A  63 ( 3.6A)
None
None
 1.19A 6djzB-2gw3A:
undetectable		 6djzB-2gw3A:
20.91