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 T44057 Target Info
Target Name Aquaporin-1 (AQP1)
Synonyms Water channel protein for red blood cells and kidney proximal tubule; Urine water channel; CHIP28; Aquaporin-CHIP; AQP-1
Target Type Clinical trial Target
Gene Name AQP1
Biochemical Class Major intrinsic protein
UniProt ID
AQP1_HUMAN
Ligand General Information  Top
Ligand Name S-Palmitoyl-L-cysteine Ligand Info
Canonical SMILES CCCCCCCCCCCCCCCC(=O)SCC(C(=O)O)N
InChI 1S/C19H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)24-16-17(20)19(22)23/h17H,2-16,20H2,1H3,(H,22,23)/t17-/m0/s1
InChIKey FRAMWPHPFIXRCP-KRWDZBQOSA-N
PubChem Compound ID 46937142
Drug Binding Sites of Target  Top
PDB ID: 7UZE      Erythrocyte ankyrin-1 complex class 2 local refinement of AQP1 (C4 symmetry applied)
Method Electron microscopy Resolution 2.40 Å Mutation No [1]
PDB Sequence
SEFKKKLFWR
12
AVVAEFLATT
22
LFVFISIGSA
32
LGFKYPVGNN
42
QTAVQDNVKV
52

SLAFGLSIAT
62
LAQSVGHISG
72
AHLNPAVTLG
82
LLLSQISIFR
93
ALMYIIAQCV
103

GAIVATAILS
113
GITSSLTGNS
123
LGRNDLADGV
133
NSGQGLGIEI
143
IGTLQLVLCV
153

LATTDRRRRD
163
LGGSAPLAIG
173
LSVALGHLLA
183
IDYTGCGINP
193
ARSFGSAVIT
203

HNFSNHWIFW
213
VGPFIGGALA
223
VLIYDFILAP
233
RSSDLTDRVK
243
VWTSGQ
Residue
Distance (Å)
LEU81
2.385
LEU83
3.248
LEU84
2.768
LEU85
2.335
SER86
1.329
GLN88
1.330
ILE89
3.399
VAL214
4.315
PHE217
2.395
ILE218
3.148
ALA221
2.298
Residue
Distance (Å)
LEU222
4.862
VAL224
2.618
LEU225
3.526
ASP228
4.807
PHE229
2.260
LEU238
2.309
ARG241
2.515
VAL242
3.132
VAL244
2.551
TRP245
2.196
PDB ID: 8CT2      Local refinement of AQP1 tetramer (C1; refinement mask included D1 of protein 4.2 and Ankyrin-1 AR1-5) in Class 2 of erythrocyte ankyrin-1 complex
Method Electron microscopy Resolution 3.10 Å Mutation No [1]
PDB Sequence
SEFKKKLFWR
12
AVVAEFLATT
22
LFVFISIGSA
32
LGFKYPVGNN
42
QTAVQDNVKV
52

SLAFGLSIAT
62
LAQSVGHISG
72
AHLNPAVTLG
82
LLLSQISIFR
93
ALMYIIAQCV
103

GAIVATAILS
113
GITSSLTGNS
123
LGRNDLADGV
133
NSGQGLGIEI
143
IGTLQLVLCV
153

LATTDRRRRD
163
LGGSAPLAIG
173
LSVALGHLLA
183
IDYTGCGINP
193
ARSFGSAVIT
203

HNFSNHWIFW
213
VGPFIGGALA
223
VLIYDFILAP
233
RSSDLTDRVK
243
VWTSGQ
Residue
Distance (Å)
LEU81
4.390
LEU83
3.370
LEU84
3.133
LEU85
3.147
SER86
1.331
GLN88
1.330
ILE89
3.737
PHE217
4.146
ALA221
3.690
Residue
Distance (Å)
VAL224
4.237
LEU225
4.668
PHE229
3.609
LEU238
4.390
ARG241
3.417
VAL242
4.502
VAL244
3.942
TRP245
3.479
References  Top
REF 1 Architecture of the human erythrocyte ankyrin-1 complex. Nat Struct Mol Biol. 2022 Jul;29(7):706-718.

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