Structure of PDB 7s8b Chain D Binding Site BS02

Receptor Information
>7s8b Chain D (length=612) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESWAQSRDEQNLLQQKRIWESPLLLAAKDNDVQALNKLLKYEDCKVHQRG
AMGETALHIAALYDNLEAAMVLMEAAPELVFEPMTSELYEGQTALHIAVV
NQNMNLVRALLARRASVSARATGTAFRRSPCNLIYFGEHPLSFAACVNSE
EIVRLLIEHGADIRAQDSLGNTVLHILILQPNKTFACQMYNLLLSYDRHG
DHLQPLDLVPNHQGLTPFKLAGVEGNTVMFQHLMQKRKHTQWTYGPLTST
LYDLTEIDSSGDEQSLLELIITTKKREARQILDQTPVKELVSLKWKRYGR
PYFCMLGAIYLLYIICFTMCCIYRPLKPRTNNRTSPRDNTLLQQKLLQEA
YMTPKDDIRLVGELVTVIGAIIILLVEVPDIFRMGVTRFFGQTILGGPFH
VLIITYAFMVLVTMVMRLISASGEVVPMSFALVLGWCNVMYFARGFQMLG
PFTIMIQKMIFGDLMRFCWLMAVVILGFASAFYIIFQTEDPEELGHFYDY
PMALFSTFELFLTIIDGPANYNVDLPFMYSITYAAFAIIATLLMLNLLIA
MMGDTHWRVAHERDELWRAQIVATTVMLERKLPRCLWPRSGICGREYGLG
DRWFLRVEDRQD
Ligand information
Ligand IDR2R
InChIInChI=1S/14H2N.2O.3Ru/h14*1H2;;;;;/q14*-1;;;+4;2*+5
InChIKeyFOOPNNMQSUSGAT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		N[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)N
ACDLabs 12.01N[Ru](N)(N)(N)(O[Ru](N)(N)(N)(N)N)O[Ru](N)(N)(N)(N)N
FormulaH28 N14 O2 Ru3
Nameruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2)
ChEMBL
DrugBank
ZINC
PDB chain7s8b Chain A Residue 813 [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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PDB7s8b Structural mechanisms of TRPV6 inhibition by ruthenium red and econazole.
Resolution2.43 Å
Binding residue
(original residue number in PDB)		T539 D542
Binding residue
(residue number reindexed from 1)		T513 D516
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005262 calcium channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0006816 calcium ion transport
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:7s8b, PDBe:7s8b, PDBj:7s8b
PDBsum7s8b
PubMed34725357
UniProtQ9H1D0|TRPV6_HUMAN Transient receptor potential cation channel subfamily V member 6 (Gene Name=TRPV6)

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