SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4r9g'

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.
13GS_A_SASA211_1
(GLUTATHIONE
S-TRANSFERASE)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		5 / 10 PHE A 116
PRO A 346
VAL A 136
ILE A 374
TYR A 376
 None
 1.48A 13gsA-4r9gA:
undetectable		 13gsA-4r9gA:
20.04
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.
13GS_B_SASB211_1
(GLUTATHIONE
S-TRANSFERASE)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		5 / 9 PHE A 116
PRO A 346
VAL A 136
ILE A 374
TYR A 376
 None
 1.48A 13gsB-4r9gA:
undetectable		 13gsB-4r9gA:
20.04
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.
1FK9_A_EFZA999_1
(HIV-1 RT, A-CHAIN)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		5 / 10 LYS A  69
VAL A  83
VAL A  54
TYR A  85
LEU A  94
 None
 1.46A 1fk9A-4r9gA:
undetectable		 1fk9A-4r9gA:
24.27
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.
2JFA_B_RALB600_1
(ESTROGEN RECEPTOR)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		5 / 12 ALA A 163
ASP A 166
GLU A 164
LEU A 165
GLY A 296
 None
 0.98A 2jfaB-4r9gA:
undetectable		 2jfaB-4r9gA:
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.
2Q8H_A_TF4A438_1
([PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 1)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		4 / 6 LEU A 103
TYR A 106
ILE A 325
ILE A 311
 None
 0.92A 2q8hA-4r9gA:
undetectable		 2q8hA-4r9gA:
22.29
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.
2ZB7_A_NCAA901_0
(PROSTAGLANDIN
REDUCTASE 2)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		4 / 5 ILE A 325
MET A 123
LEU A 107
LEU A 103
 None
 1.05A 2zb7A-4r9gA:
undetectable		 2zb7A-4r9gA:
22.01
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.
3DTU_C_DXCC576_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		5 / 8 PRO A 346
ALA A 350
PRO A 331
ILE A 334
GLU A 134
 None
 1.06A 3dtuC-4r9gA:
undetectable
3dtuD-4r9gA:
undetectable		 3dtuC-4r9gA:
22.34
3dtuD-4r9gA:
20.63
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		4 / 7 TRP A  25
PRO A  24
LEU A  21
LEU A  82
 BMA  A 503 ( 4.1A)
None
None
None
 0.89A 3u5jA-4r9gA:
undetectable		 3u5jA-4r9gA:
14.04
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.
3U5K_B_08JB2_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		4 / 7 TRP A  25
PRO A  24
LEU A  21
LEU A  82
 BMA  A 503 ( 4.1A)
None
None
None
 0.94A 3u5kB-4r9gA:
undetectable		 3u5kB-4r9gA:
14.04
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.
3V81_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		4 / 8 LEU A  82
VAL A  33
TYR A  40
LEU A  19
 None
 1.09A 3v81C-4r9gA:
undetectable		 3v81C-4r9gA:
22.51
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.
4G0V_A_MIXA1301_1
(DNA TOPOISOMERASE
2-BETA)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		4 / 7 ARG A 139
GLY A 192
ASN A 391
GLN A 273
 BMA  A 502 (-4.0A)
None
MAN  A 501 ( 4.9A)
None
 1.09A 4g0vA-4r9gA:
undetectable		 4g0vA-4r9gA:
20.78
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.
4K0B_B_SAMB504_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		4 / 8 HIS A 195
ASP A  89
ALA A  60
TYR A  85
 ZN  A 505 ( 3.1A)
ZN  A 505 (-3.0A)
MAN  A 501 ( 4.7A)
None
 0.87A 4k0bB-4r9gA:
undetectable		 4k0bB-4r9gA:
22.25
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.
4L7I_B_SAMB501_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		4 / 8 HIS A 195
ASP A  89
ALA A  60
TYR A  85
 ZN  A 505 ( 3.1A)
ZN  A 505 (-3.0A)
MAN  A 501 ( 4.7A)
None
 0.87A 4l7iB-4r9gA:
undetectable		 4l7iB-4r9gA:
22.25
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.
4NKX_D_STRD601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		4 / 5 ILE A 344
ASP A 359
GLU A 271
VAL A 368
 None
 1.27A 4nkxD-4r9gA:
undetectable		 4nkxD-4r9gA:
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.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		4 / 6 ASN A 219
GLU A 229
LEU A 205
PHE A 394
 None
 1.30A 4twdB-4r9gA:
undetectable
4twdC-4r9gA:
undetectable		 4twdB-4r9gA:
19.65
4twdC-4r9gA:
19.65
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.
4YMG_B_SAMB1001_1
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		3 / 3 SER A  35
GLU A 134
GLU A 271
 None
 0.76A 4ymgB-4r9gA:
undetectable		 4ymgB-4r9gA:
20.76
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.
4Z90_F_4LEF401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		4 / 8 LEU A 408
THR A 386
LEU A 205
LEU A 222
 None
 0.76A 4z90F-4r9gA:
undetectable
4z90G-4r9gA:
undetectable
4z90H-4r9gA:
undetectable
4z90I-4r9gA:
undetectable
4z90J-4r9gA:
undetectable		 4z90F-4r9gA:
19.74
4z90G-4r9gA:
19.74
4z90H-4r9gA:
19.74
4z90I-4r9gA:
19.74
4z90J-4r9gA:
19.74
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.
5AMK_A_EF2A151_1
(CEREBLON ISOFORM 4)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		4 / 8 ASN A 391
PRO A 194
PHE A 394
TYR A 399
 MAN  A 501 ( 4.9A)
None
None
None
 1.44A 5amkA-4r9gA:
undetectable		 5amkA-4r9gA:
17.01
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.
5AMK_B_EF2B151_1
(CEREBLON ISOFORM 4)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		4 / 7 ASN A 391
PRO A 194
PHE A 394
TYR A 399
 MAN  A 501 ( 4.9A)
None
None
None
 1.47A 5amkB-4r9gA:
undetectable		 5amkB-4r9gA:
17.01
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.
5HW8_G_FK5G201_1
(FK506-BINDING
PROTEIN 1)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		3 / 3 ILE A 311
PRO A 312
ILE A 101
 None
 0.42A 5hw8F-4r9gA:
undetectable		 5hw8F-4r9gA:
13.70
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.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		5 / 12 ASP A 305
ILE A 344
ALA A 345
GLY A 270
VAL A 365
 BMA  A 502 ( 4.7A)
None
None
None
None
 1.05A 5i71A-4r9gA:
undetectable		 5i71A-4r9gA:
19.38
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.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		5 / 12 ASP A 305
ILE A 344
ALA A 345
GLY A 270
VAL A 365
 BMA  A 502 ( 4.7A)
None
None
None
None
 1.09A 5i75A-4r9gA:
undetectable		 5i75A-4r9gA:
19.38
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.
5KC4_E_RBFE201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		5 / 12 LEU A 226
ASN A 219
LEU A 214
ALA A 411
PHE A 394
 None
 1.24A 5kc4E-4r9gA:
undetectable		 5kc4E-4r9gA:
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.
5SVL_A_ACTA411_0
(P2X PURINOCEPTOR 3)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		4 / 5 GLN A 354
VAL A 341
ASP A 339
ASN A 343
 None
None
None
BMA  A 503 (-3.0A)
 1.38A 5svlA-4r9gA:
undetectable		 5svlA-4r9gA:
21.34
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.
5X23_A_LSNA503_1
(CYTOCHROME P450 2C9)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		4 / 5 GLY A 178
THR A 179
ASN A 177
LYS A 176
 None
 1.21A 5x23A-4r9gA:
undetectable		 5x23A-4r9gA:
21.28
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.
6BP4_B_SAMB505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		5 / 12 GLY A 127
ILE A 129
TYR A 120
LEU A  91
GLY A 131
 None
 1.36A 6bp4B-4r9gA:
undetectable		 6bp4B-4r9gA:
20.70
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		5 / 11 ASP A  89
VAL A 196
LEU A 303
GLN A 191
TYR A  85
 ZN  A 505 (-3.0A)
None
None
BMA  A 502 (-3.7A)
None
 1.35A 6dryA-4r9gA:
undetectable		 6dryA-4r9gA:
22.11
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.
6FDY_U_DB8U302_1
(-)		 4r9g MBP1
(Caldanaerobius
polysaccharolyti
cus) 		5 / 9 LEU A 225
VAL A 200
SER A 269
LEU A 141
ILE A 291
 None
 1.28A 6fdyU-4r9gA:
undetectable		 6fdyU-4r9gA:
17.78