Structure of PDB 6nph Chain A Binding Site BS02

Receptor Information

>6nph Chain A (length=472) Species: 7955 (Danio rerio)

KFGWIKGVLVRCMLNIWGVMLFIRMTWIVGQAGIAYSCIIVIMATVVTTI
TGCSTSAIATNGFVRGGGAYYLISRSLGPEFGGSIGLIFAFANAVAVAMY
VVGFAETVVELLMDSGLLMIDQTNDIRVIGTITVILLLGISVAGMEWEAK
AQIFLLVILITAIFNYFIGSFIAVDSKKKFGFFSYDAGILAENFGPDFRG
QTFFSVFSIFFPAATGILAGANISGDLADPQMAIPKGTLLAILITGLVYV
GVAISAGACIVRDATGIESNFTLISNCTDAACKYGYDFSSCRPTVEGEVS
SCKFGLHNDFQVMSVVSGFSPLISAGIFSATLSSALASLVSAPKVFQALC
KDNIYPGIAIFGKGYGKNNEPLRGYFLTFGIALAFILIAELNVIAPIISN
FFLASYALINFSVFHASLANSPGWRPSFKYYNMWASLAGAILCCVVMFII
NWWAALLTNVIVLSLYIYVSYK

Ligand information

• Ligand ID: CL
• InChI: InChI=1S/ClH/h1H/p-1
• InChIKey: VEXZGXHMUGYJMC-UHFFFAOYSA-M
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Cl-]
• Formula: Cl
• Name: CHLORIDE ION
• DrugBank: DB14547
• PDB chain: 6nph Chain A Residue 706

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6nph Structure and mechanism of the cation-chloride cotransporter NKCC1.
• Resolution: 2.9 Å
• Binding residue (original residue number in PDB): G421 L423
• Binding residue (residue number reindexed from 1): G216 L218
• Annotation score: 5

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

External links

• PDB: RCSB:6nph, PDBe:6nph, PDBj:6nph
• PDBsum: 6nph
• PubMed: 31367042
• UniProt: A0A0G2KTI4|S12A2_DANRE Solute carrier family 12 member 2 (Gene Name=slc12a2)