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 Cholesterol Ligand Info
Canonical SMILES CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
InChI 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey HVYWMOMLDIMFJA-DPAQBDIFSA-N
PubChem Compound ID 5997
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)
ASN134
2.220
GLY136
2.411
GLN137
2.800
LEU139
3.178
GLY140
2.221
ILE141
4.819
Residue
Distance (Å)
ILE143
2.743
ILE144
2.226
LEU147
4.339
ILE218
4.389
LEU222
3.867
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)
ILE111
4.002
GLY114
3.248
ILE115
3.772
SER117
3.925
ASN134
3.590
GLY136
3.450
Residue
Distance (Å)
GLN137
3.900
LEU139
4.666
GLY140
3.648
ILE143
3.760
ILE144
3.680
LEU222
4.392
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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