Structure of PDB 4nef Chain A Binding Site BS01

Receptor Information
>4nef Chain A (length=239) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SELRSIAFSRAVFAEFLATLLFVFFGLGSALNWPQALPSVLQIAMAFGLG
IGTLVQALGHISGAHINPAVTVACLVGCHVSVLRAAFYVAAQLLGAVAGA
ALLHEITPADIRGDLAVNALSNSTTAGQAVTVELFLTLQLVLCIFASTDE
RRGENPGTPALSIGFSVALGHLLGIHYTGCSMNPARSLAPAVVTGKFDDH
WVFWIGPLVGAILGSLLYNYVLFPPAKSLSERLAVLKGL
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4nef Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nef X-ray structure of human aquaporin 2 and its implications for nephrogenic diabetes insipidus and trafficking
Resolution2.75 Å
Binding residue
(original residue number in PDB)		C75 H80
Binding residue
(residue number reindexed from 1)		C74 H79
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015267 channel activity
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4nef, PDBe:4nef, PDBj:4nef
PDBsum4nef
PubMed24733887
UniProtP41181|AQP2_HUMAN Aquaporin-2 (Gene Name=AQP2)

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