Structure of PDB 6npl Chain B Binding Site BS02

Receptor Information
>6npl Chain B (length=861) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KFGWIKGVLVRCMLNIWGVMLFIRMTWIVGQAGIAYSCIIVIMATVVTTI
TGCSTSAIATNGFVRGGGAYYLISRSLGPEFGGSIGLIFAFANAVAVAMY
VVGFAETVVELLMDSGLLMIDQTNDIRVIGTITVILLLGISVAGMEWEAK
AQIFLLVILITAIFNYFIGSFIAVDSKKKFGFFSYDAGILAENFGPDFRG
QTFFSVFSIFFPAATGILAGANISGDLADPQMAIPKGTLLAILITGLVYV
GVAISAGACIVRDATGIESNFTLISNCTDAACKYGYDFSSCRPTVEGEVS
SCKFGLHNDFQVMSVVSGFSPLISAGIFSATLSSALASLVSAPKVFQALC
KDNIYPGIAIFGKGYGKNNEPLRGYFLTFGIALAFILIAELNVIAPIISN
FFLASYALINFSVFHASLANSPGWRPSFKYYNMWASLAGAILCCVVMFII
NWWAALLTNVIVLSLYIYVSYKKPDVNWGSSTQALTYHQALTHSLQLCGV
ADHIKTFRPQCLVMTGAPNSRPAILHLVHAFTKNVGLMLCGHVRISSRRP
NFKELNSDMLRYQRWLLNNNSKAFYTCVVAEDLRQGTQYMLQAAGLGRLR
PNTLVIGFKNDWRIGDIKEVETYINLIHDAFDFQYGVVILRLREGLDISH
LNVADQRLLDSQQFQQKQGKGTVDVWWLFDDGGLTLLIPYLIANKKKWKD
CKIRVFIGGKINRIDHDRRAMATLLSKFRIDFSDITVLGDINTKPKSEGL
TEFAEMIEPYKLREDDMEQEAAEKLKSEEPWRITDNELELYKAKGNRQIR
LNELLKEHSSTANLIVMSMPLARKGAVSSALYMAWLDTLSKDLPPILLVR
GNHQSVLTFYS
Ligand information
Ligand IDCL
InChIInChI=1S/ClH/h1H/p-1
InChIKeyVEXZGXHMUGYJMC-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Cl-]
FormulaCl
NameCHLORIDE ION
ChEMBL
DrugBankDB14547
ZINC
PDB chain6npl Chain B Residue 1203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6npl Structure and mechanism of the cation-chloride cotransporter NKCC1.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		G421 L423
Binding residue
(residue number reindexed from 1)		G216 L218
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015377 chloride:monoatomic cation symporter activity
GO:0022857 transmembrane transporter activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
View graph for
Biological Process
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Cellular Component
External links
PDB RCSB:6npl, PDBe:6npl, PDBj:6npl
PDBsum6npl
PubMed31367042
UniProtA0A0G2KTI4|S12A2_DANRE Solute carrier family 12 member 2 (Gene Name=slc12a2)

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