Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T44479 Target Info
Target Name Gap junction alpha-1 protein (GJA1)
Synonyms Gap junction 43 kDa heart protein; GJAL; Cx43; Connexin-43; Connexin 43
Target Type Clinical trial Target
Gene Name GJA1
Biochemical Class Gap junction-forming connexin
UniProt ID
CXA1_HUMAN
Ligand General Information  Top
Ligand Name Tetradecane Ligand Info
Canonical SMILES CCCCCCCCCCCCCC
InChI 1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
InChIKey BGHCVCJVXZWKCC-UHFFFAOYSA-N
PubChem Compound ID 12389
Drug Binding Sites of Target  Top
PDB ID: 7F92      Structure of connexin43/Cx43/GJA1 gap junction intercellular channel in LMNG/CHS detergents at pH ~8.0
Method Electron microscopy Resolution 3.10 Å Mutation No [1]
PDB Sequence
GDWSALGKLL
11
DKVQAYSTAG
21
GKVWLSVLFI
31
FRILLLGTAV
41
ESAWGDEQSA
51

FRCNTQQPGC
61
ENVCYDKSFP
71
ISHVRFWVLQ
81
IIFVSVPTLL
91
YLAHVFYVMR
101

KEEKLNKKRG
149
GLLRTYIISI
159
LFKSIFEVAF
169
LLIQWYIYGF
179
SLSAVYTCKR
189

DPCPHQVDCF
199
LSRPTEKTIF
209
IIFMLVVSLV
219
SLALNIIELF
229
YVFFKG
Residue
Distance (Å)
TRP4
4.075
ALA6
3.800
LEU7
3.730
GLY8
4.005
LEU10
3.798
LEU11
4.338
PHE30
4.722
ILE34
3.893
LEU35
4.656
LEU37
4.438
GLY38
4.431
THR39
3.910
GLU42
3.530
PRO71
3.757
ILE72
4.424
PHE77
3.923
VAL79
4.095
LEU80
4.619
ILE82
3.713
ILE83
3.929
PHE84
4.539
SER86
3.736
VAL87
3.908
PRO88
3.981
LEU90
3.776
LEU91
3.960
Residue
Distance (Å)
TYR92
4.337
HIS95
3.610
PHE97
3.621
TYR98
4.227
THR154
4.118
ILE157
4.401
SER158
3.927
PHE161
4.206
PHE165
3.944
ALA168
4.981
PHE169
3.940
ILE172
4.253
TYR175
4.381
ILE176
4.322
PHE179
4.106
SER180
4.967
THR204
4.040
THR207
4.799
ILE208
4.342
ILE211
4.063
PHE212
3.699
LEU214
4.657
VAL215
4.268
LEU218
3.934
VAL219
3.801
PDB ID: 7F93      Structure of connexin43/Cx43/GJA1 gap junction intercellular channel in nanodiscs with soybean lipids at pH ~8.0
Method Electron microscopy Resolution 3.60 Å Mutation No [1]
PDB Sequence
GDWSALGKLL
11
DKVQAYSTAG
21
GKVWLSVLFI
31
FRILLLGTAV
41
ESAWGDEQSA
51

FRCNTQQPGC
61
ENVCYDKSFP
71
ISHVRFWVLQ
81
IIFVSVPTLL
91
YLAHVFYVMR
101

KEEKLNKKRG
149
GLLRTYIISI
159
LFKSIFEVAF
169
LLIQWYIYGF
179
SLSAVYTCKR
189

DPCPHQVDCF
199
LSRPTEKTIF
209
IIFMLVVSLV
219
SLALNIIELF
229
YVFFKG
Residue
Distance (Å)
TRP4
4.070
LEU7
3.712
GLY8
4.773
LEU10
4.061
PHE30
3.875
ILE34
3.735
LEU37
4.642
GLY38
3.827
GLU42
3.616
PRO71
3.985
ILE72
4.141
VAL75
4.599
PHE77
4.081
VAL79
4.175
LEU80
4.595
ILE82
3.870
ILE83
4.363
SER86
4.056
VAL87
4.622
PRO88
4.597
LEU90
4.601
LEU91
3.762
TYR92
4.657
LEU93
4.926
Residue
Distance (Å)
ALA94
4.379
HIS95
3.541
PHE97
4.583
TYR98
4.255
ARG153
3.840
THR154
3.345
ILE157
4.777
PHE161
3.756
PHE165
3.463
ALA168
4.541
PHE169
4.098
ILE172
4.269
TYR175
4.223
ILE176
4.642
PHE179
4.663
THR204
4.359
THR207
4.874
ILE208
4.144
ILE211
4.012
PHE212
3.711
LEU214
4.146
VAL215
4.165
LEU218
4.054
VAL219
4.909
References  Top
REF 1 Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM. Nat Commun. 2023 Feb 18;14(1):931.

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