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 T88947 Target Info
Target Name Gap junction beta-2 protein (Cx26)
Synonyms Connexin-26
Target Type Literature-reported Target
Gene Name GJB2
Biochemical Class Gap junction-forming connexin
UniProt ID
CXB2_HUMAN
Ligand General Information  Top
Ligand Name phosphatidylethanolamine Ligand Info
Canonical SMILES CC(=O)OCC(COP(=O)(O)OCCN)OC(=O)C
InChI 1S/C9H18NO8P/c1-7(11)15-5-9(18-8(2)12)6-17-19(13,14)16-4-3-10/h9H,3-6,10H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKey CFWRDBDJAOHXSH-SECBINFHSA-N
PubChem Compound ID 5327011
Drug Binding Sites of Target  Top
PDB ID: 7QEW      human Connexin 26 class 2 hexamer at 90mmHg PCO2, pH7.4
Method Electron microscopy Resolution 2.10 Å Mutation No [1]
PDB Sequence
DWGTLQTILG
11
GVNKHSTSIG
21
KIWLTVLFIF
31
RIMILVVAAK
41
EVWGDEQADF
51

VCNTLQPGCK
61
NVCYDHYFPI
71
SHIRLWALQL
81
IFVSTPALLV
91
AMHVAYRRHE
129

GSLWWTYTSS
139
IFFRVIFEAA
149
FMYVFYVMYD
159
GFSMQRLVKC
169
NAWPCPNTVD
179

CFVSRPTEKT
189
VFTVFMIAVS
199
GICILLNVTE
209
LCYLLIRY
Residue
Distance (Å)
PRO70
4.350
ILE71
4.758
LEU76
4.438
Residue
Distance (Å)
VAL153
4.762
VAL156
4.240
MET157
3.748
PDB ID: 7QEQ      human Connexin 26 dodecamer at 90mmHg PCO2, pH7.4
Method Electron microscopy Resolution 1.90 Å Mutation No [1]
PDB Sequence
GTLQTILGGV
13
NKHSTSIGKI
23
WLTVLFIFRI
33
MILVVAAKEV
43
WGDEQADFVC
53

NTLQPGCKNV
63
CYDHYFPISH
73
IRLWALQLIF
83
VSTPALLVAM
93
HVAYRRHEKK
103

EGSLWWTYTS
138
SIFFRVIFEA
148
AFMYVFYVMY
158
DGFSMQRLVK
168
CNAWPCPNTV
178

DCFVSRPTEK
188
TVFTVFMIAV
198
SGICILLNVT
208
ELCYLLIRY
Residue
Distance (Å)
PRO70
4.264
ILE71
4.660
LEU76
4.183
LEU79
4.944
Residue
Distance (Å)
PHE150
4.915
VAL153
4.581
VAL156
4.110
MET157
3.731
PDB ID: 7QET      human Connexin 26 dodecamer at 20mmHg PCO2, pH7.4
Method Electron microscopy Resolution 2.10 Å Mutation No [1]
PDB Sequence
GTLQTILGGV
13
NKHSTSIGKI
23
WLTVLFIFRI
33
MILVVAAKEV
43
WGDEQADFVC
53

NTLQPGCKNV
63
CYDHYFPISH
73
IRLWALQLIF
83
VSTPALLVAM
93
HVAYRRHEKE
129

GSLWWTYTSS
139
IFFRVIFEAA
149
FMYVFYVMYD
159
GFSMQRLVKC
169
NAWPCPNTVD
179

CFVSRPTEKT
189
VFTVFMIAVS
199
GICILLNVTE
209
LCYLLIRY
Residue
Distance (Å)
PRO70
4.371
ILE71
4.794
LEU76
4.652
Residue
Distance (Å)
VAL153
4.227
VAL156
4.175
MET157
3.624
PDB ID: 7QER      human Connexin 26 dodecamer at 55mm Hg PCO2, pH7.4
Method Electron microscopy Resolution 2.20 Å Mutation No [1]
PDB Sequence
GTLQTILGGV
13
NKHSTSIGKI
23
WLTVLFIFRI
33
MILVVAAKEV
43
WGDEQADFVC
53

NTLQPGCKNV
63
CYDHYFPISH
73
IRLWALQLIF
83
VSTPALLVAM
93
HVAYRRHEEG
130

SLWWTYTSSI
140
FFRVIFEAAF
150
MYVFYVMYDG
160
FSMQRLVKCN
170
AWPCPNTVDC
180

FVSRPTEKTV
190
FTVFMIAVSG
200
ICILLNVTEL
210
CYLLIRY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTY or .PTY2 or .PTY3 or :3PTY;style chemicals stick;color identity;select .A:70 or .A:71 or .A:76 or .A:153 or .A:156 or .A:157; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PRO70
4.404
ILE71
4.856
LEU76
4.496
Residue
Distance (Å)
VAL153
4.591
VAL156
4.073
MET157
3.619
PDB ID: 7QES      human Connexin 26 at 55mm Hg PCO2, pH7.4: two masked subunits, class A
Method Electron microscopy Resolution 2.60 Å Mutation No [1]
PDB Sequence
MDWGTLQTIL
10
GGVNKHSTSI
20
GKIWLTVLFI
30
FRIMILVVAA
40
KEVWGDEQAD
50

FVCNTLQPGC
60
KNVCYDHYFP
70
ISHIRLWALQ
80
LIFVSTPALL
90
VAMHVAYSLW
133

WTYTSSIFFR
143
VIFEAAFMYV
153
FYVMYDGFSM
163
QRLVKCNAWP
173
CPNTVDCFVS
183

RPTEKTVFTV
193
FMIAVSGICI
203
LLNVTELCYL
213
LIRY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTY or .PTY2 or .PTY3 or :3PTY;style chemicals stick;color identity;select .A:70 or .A:76 or .A:153 or .A:156 or .A:157; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PRO70
3.923
LEU76
4.630
VAL153
4.414
Residue
Distance (Å)
VAL156
4.255
MET157
3.895
PDB ID: 7QEU      human Connexin 26 at 55mmHg PCO2, pH7.4: two masked subunits, class B
Method Electron microscopy Resolution 2.70 Å Mutation No [1]
PDB Sequence
TSIGKIWLTV
27
LFIFRIMILV
37
VAAKEVWGDE
47
QADFVCNTLQ
57
PGCKNVCYDH
67

YFPISHIRLW
77
ALQLIFVSTP
87
ALLVAMHVAY
97
RRHEEGSLWW
134
TYTSSIFFRV
144

IFEAAFMYVF
154
YVMYDGFSMQ
164
RLVKCNAWPC
174
PNTVDCFVSR
184
PTEKTVFTVF
194

MIAVSGICIL
204
LNVTELCYLL
214
IRY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTY or .PTY2 or .PTY3 or :3PTY;style chemicals stick;color identity;select .A:70 or .A:71 or .A:76 or .A:153 or .A:156 or .A:157; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PRO70
4.234
ILE71
4.475
LEU76
4.525
Residue
Distance (Å)
VAL153
4.496
VAL156
4.243
MET157
3.602
PDB ID: 7QEO      human Connexin 26 at 55mm Hg PCO2, pH7.4: two masked subunits, class C
Method Electron microscopy Resolution 2.90 Å Mutation No [1]
PDB Sequence
TLQTILGGVN
14
KHSTSIGKIW
24
LTVLFIFRIM
34
ILVVAAKEVW
44
GDEQADFVCN
54

TLQPGCKNVC
64
YDHYFPISHI
74
RLWALQLIFV
84
STPALLVAMH
94
VAYRRHEEGS
131

LWWTYTSSIF
141
FRVIFEAAFM
151
YVFYVMYDGF
161
SMQRLVKCNA
171
WPCPNTVDCF
181

VSRPTEKTVF
191
TVFMIAVSGI
201
CILLNVTELC
211
YLLIRY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTY or .PTY2 or .PTY3 or :3PTY;style chemicals stick;color identity;select .A:70 or .A:71 or .A:76 or .A:153 or .A:156 or .A:157; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PRO70
4.190
ILE71
4.816
LEU76
4.500
Residue
Distance (Å)
VAL153
4.428
VAL156
4.345
MET157
3.958
PDB ID: 7QEV      human Connexin 26 at 55mm Hg PCO2, pH7.4:two masked subunits, class D
Method Electron microscopy Resolution 2.90 Å Mutation No [1]
PDB Sequence
MDWGTLQTIL
10
GGVNKHSTSI
20
GKIWLTVLFI
30
FRIMILVVAA
40
KEVWGDEQAD
50

FVCNTLQPGC
60
KNVCYDHYFP
70
ISHIRLWALQ
80
LIFVSTPALL
90
VAMHVAYRRH
100

EKKREGSLWW
134
TYTSSIFFRV
144
IFEAAFMYVF
154
YVMYDGFSMQ
164
RLVKCNAWPC
174

PNTVDCFVSR
184
PTEKTVFTVF
194
MIAVSGICIL
204
LNVTELCYLL
214
IRY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTY or .PTY2 or .PTY3 or :3PTY;style chemicals stick;color identity;select .A:70 or .A:71 or .A:76 or .A:153 or .A:156 or .A:157; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PRO70
4.168
ILE71
4.318
LEU76
4.488
Residue
Distance (Å)
VAL153
4.800
VAL156
4.194
MET157
4.105
PDB ID: 7QEY      human Connexin 26 class 1 hexamer at 90mmHg PCO2, pH7.4
Method Electron microscopy Resolution 2.00 Å Mutation No [1]
PDB Sequence
ILGGVNKHST
18
SIGKIWLTVL
28
FIFRIMILVV
38
AAKEVWGDEQ
48
ADFVCNTLQP
58

GCKNVCYDHY
68
FPISHIRLWA
78
LQLIFVSTPA
88
LLVAMHVAYR
98
RHEEGSLWWT
135

YTSSIFFRVI
145
FEAAFMYVFY
155
VMYDGFSMQR
165
LVKCNAWPCP
175
NTVDCFVSRP
185

TEKTVFTVFM
195
IAVSGICILL
205
NVTELCYLLI
215
RY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTY or .PTY2 or .PTY3 or :3PTY;style chemicals stick;color identity;select .G:70 or .G:71 or .G:76 or .G:153 or .G:156 or .G:157; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PRO70
4.364
ILE71
4.685
LEU76
4.333
Residue
Distance (Å)
VAL153
4.600
VAL156
4.230
MET157
3.737
References  Top
REF 1 Conformational changes and CO(2)-induced channel gating in connexin26. Structure. 2022 May 5;30(5):697-706.e4.

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