SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1gxs'

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.
1GXS_A_BEZA601_0
(P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor;
Sorghum
bicolor)
7 / 7 GLY A  62
PRO A  64
ASP A 126
SER A 158
HIS A 160
TRP B 330
ALA B 333
BEZ  A 601 (-3.7A)
BEZ  A 601 (-3.7A)
BEZ  A 601 (-3.8A)
BEZ  A 601 (-2.7A)
BEZ  A 601 (-3.4A)
BEZ  A 601 ( 4.0A)
BEZ  A 601 ( 3.9A)
0.01A 1gxsA-1gxsA:
41.5
1gxsB-1gxsA:
0.8
1gxsA-1gxsA:
100.00
1gxsB-1gxsA:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GXS_A_BEZA601_0
(P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor;
Sorghum
bicolor)
4 / 7 GLY A  63
ASP A 126
HIS A 160
TRP B 330
DKA  A 701 (-4.0A)
BEZ  A 601 (-3.8A)
BEZ  A 601 (-3.4A)
BEZ  A 601 ( 4.0A)
0.86A 1gxsA-1gxsA:
41.5
1gxsB-1gxsA:
0.8
1gxsA-1gxsA:
100.00
1gxsB-1gxsA:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GXS_C_BEZC602_0
(P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor;
Sorghum
bicolor)
9 / 9 GLY A  62
PRO A  64
ASP A 126
SER A 158
HIS A 160
MET A 228
TRP A 270
TRP B 330
ALA B 333
BEZ  A 601 (-3.7A)
BEZ  A 601 (-3.7A)
BEZ  A 601 (-3.8A)
BEZ  A 601 (-2.7A)
BEZ  A 601 (-3.4A)
BEZ  A 601 ( 4.6A)
None
BEZ  A 601 ( 4.0A)
BEZ  A 601 ( 3.9A)
0.21A 1gxsC-1gxsA:
39.7
1gxsD-1gxsA:
0.8
1gxsC-1gxsA:
100.00
1gxsD-1gxsA:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GXS_C_BEZC602_0
(P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor;
Sorghum
bicolor)
7 / 9 GLY A  65
PRO A  64
ASP A 126
MET A 228
TRP A 270
TRP B 330
ALA B 333
None
BEZ  A 601 (-3.7A)
BEZ  A 601 (-3.8A)
BEZ  A 601 ( 4.6A)
None
BEZ  A 601 ( 4.0A)
BEZ  A 601 ( 3.9A)
1.47A 1gxsC-1gxsA:
39.7
1gxsD-1gxsA:
0.8
1gxsC-1gxsA:
100.00
1gxsD-1gxsA:
21.37
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.
1MZ9_A_VDYA1002_2
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A

(Sorghum
bicolor)
3 / 3 ILE A 162
LEU A 165
VAL A 169
None
0.40A 1mz9B-1gxsA:
undetectable
1mz9B-1gxsA:
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.
2VCV_D_ASDD1224_1
(GLUTATHIONE
S-TRANSFERASE A3)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A

(Sorghum
bicolor)
5 / 9 LEU A  13
PRO A  17
LEU A  91
ALA A  79
PHE A  22
None
1.08A 2vcvD-1gxsA:
0.0
2vcvD-1gxsA:
20.36
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.
2VCV_F_ASDF1224_1
(GLUTATHIONE
S-TRANSFERASE A3)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A

(Sorghum
bicolor)
4 / 8 LEU A  13
PRO A  17
LEU A  91
PHE A  22
None
0.90A 2vcvF-1gxsA:
undetectable
2vcvF-1gxsA:
20.36
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.
2VCV_G_ASDG1224_1
(GLUTATHIONE
S-TRANSFERASE A3)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A

(Sorghum
bicolor)
4 / 7 LEU A  13
PRO A  17
LEU A  91
PHE A  22
None
0.85A 2vcvG-1gxsA:
0.1
2vcvG-1gxsA:
20.36
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.
2VCV_L_ASDL1224_1
(GLUTATHIONE
S-TRANSFERASE A3)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A

(Sorghum
bicolor)
4 / 7 PRO A  17
LEU A  91
ALA A  79
PHE A  22
None
1.01A 2vcvL-1gxsA:
0.0
2vcvL-1gxsA:
20.36
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.
3A3Y_A_OBNA6000_1
(NA, K-ATPASE ALPHA
SUBUNIT)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor)
5 / 10 GLU A 151
PHE B 428
PHE B 431
LEU A 185
ARG B 350
None
1.28A 3a3yA-1gxsA:
undetectable
3a3yA-1gxsA:
13.46
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.
3ADX_A_IMNA2_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor)
5 / 12 GLN A 167
SER A 166
LEU A  60
LEU B 344
TYR B 341
None
1.30A 3adxA-1gxsA:
undetectable
3adxA-1gxsA:
18.47
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.
3LN1_A_CELA682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor)
5 / 12 LEU A 185
ALA B 422
VAL B 409
GLY B 356
SER A 188
None
1.04A 3ln1A-1gxsA:
0.5
3ln1A-1gxsA:
18.49
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.
3LN1_B_CELB682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor)
5 / 12 LEU A 185
ALA B 422
VAL B 409
GLY B 356
SER A 188
None
1.05A 3ln1B-1gxsA:
0.0
3ln1B-1gxsA:
18.49
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.
3LN1_C_CELC682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor)
5 / 12 LEU A 185
ALA B 422
VAL B 409
GLY B 356
SER A 188
None
1.05A 3ln1C-1gxsA:
0.0
3ln1C-1gxsA:
18.49
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.
3SFU_A_RBVA601_1
(RNA POLYMERASE)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A

(Sorghum
bicolor)
5 / 9 ASP A 121
SER A 120
GLY A  36
ASP A  32
ASP A  33
None
None
NAG  A1117 (-3.2A)
None
None
1.38A 3sfuA-1gxsA:
undetectable
3sfuA-1gxsA:
18.38
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.
4AE1_B_NCAB1536_0
(DIPHTHERIA TOXIN)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor;
Sorghum
bicolor)
4 / 5 HIS B 308
GLY A  26
TYR A  25
GLU A   6
None
1.25A 4ae1B-1gxsB:
0.0
4ae1B-1gxsB:
14.89
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.
4BUP_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor;
Sorghum
bicolor)
3 / 3 HIS B 414
GLU A  76
ASN A  61
DKA  A 701 (-4.0A)
None
DKA  A 701 (-3.8A)
0.98A 4bupB-1gxsB:
0.0
4bupB-1gxsB:
19.12
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.
4HYT_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor)
5 / 12 GLU A 151
PHE B 428
PHE B 431
LEU A 185
ARG B 350
None
1.13A 4hytA-1gxsA:
undetectable
4hytA-1gxsA:
13.08
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.
4HYT_C_OBNC2004_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor)
5 / 12 GLU A 151
PHE B 428
PHE B 431
LEU A 185
ARG B 350
None
1.13A 4hytC-1gxsA:
undetectable
4hytC-1gxsA:
13.08
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.
4L9Q_B_9TPB601_2
(SERUM ALBUMIN)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor)
4 / 4 ARG B 420
GLU B 391
ASP B 357
ARG B 410
None
1.21A 4l9qB-1gxsB:
undetectable
4l9qB-1gxsB:
13.30
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.
4LNW_A_T3A502_1
(THYROID HORMONE
RECEPTOR ALPHA)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A

(Sorghum
bicolor)
4 / 8 ASP A   8
GLU A   6
GLN A   4
THR A  30
None
None
None
NAG  A1117 ( 3.8A)
1.14A 4lnwA-1gxsA:
0.0
4lnwA-1gxsA:
24.18
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.
4QOP_C_HQEC503_1
(CATALASE)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A

(Sorghum
bicolor)
4 / 8 PHE A 141
LEU A  56
LEU A 137
PHE A 136
None
0.91A 4qopC-1gxsA:
undetectable
4qopC-1gxsA:
18.48
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.
5JW1_A_CELA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor)
5 / 12 LEU A 185
ALA B 422
VAL B 409
GLY B 356
SER A 188
None
0.90A 5jw1A-1gxsA:
undetectable
5jw1A-1gxsA:
18.87
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.
5UBB_A_SAMA301_1
(ALPHA N-TERMINAL
PROTEIN
METHYLTRANSFERASE 1B)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor;
Sorghum
bicolor)
4 / 5 GLY B 413
ARG B 420
ASP B 359
GLN A 245
None
1.49A 5ubbA-1gxsB:
undetectable
5ubbA-1gxsB:
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.
5WBV_A_SAMA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor;
Sorghum
bicolor)
3 / 3 HIS B 414
GLU A  76
ASN A  61
DKA  A 701 (-4.0A)
None
DKA  A 701 (-3.8A)
0.95A 5wbvA-1gxsB:
0.0
5wbvA-1gxsB:
19.32
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.
5WBV_B_SAMB402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor;
Sorghum
bicolor)
3 / 3 HIS B 414
GLU A  76
ASN A  61
DKA  A 701 (-4.0A)
None
DKA  A 701 (-3.8A)
0.96A 5wbvB-1gxsB:
0.0
5wbvB-1gxsB:
19.32
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.
5X6Y_A_SAMA902_0
(MRNA CAPPING ENZYME
P5)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor;
Sorghum
bicolor)
5 / 12 GLY A  26
ALA B 306
PHE A  43
VAL A  29
PHE A 136
None
1.27A 5x6yA-1gxsA:
undetectable
5x6yA-1gxsA:
15.38
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.
6AK3_B_P2EB1201_1
(PROSTAGLANDIN E2
RECEPTOR EP3
SUBTYPE,SOLUBLE
CYTOCHROME B562)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor;
Sorghum
bicolor)
4 / 5 PRO A  14
VAL B 303
GLY A  78
VAL A  82
None
0.86A 6ak3B-1gxsA:
0.3
6ak3B-1gxsA:
16.67
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.
6BPY_A_ACTA408_0
(THIOREDOXIN
REDUCTASE)
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor)
3 / 3 PRO B 363
SER B 365
SER B 366
None
0.53A 6bpyA-1gxsB:
undetectable
6bpyA-1gxsB:
16.27