Structure of PDB 8e6s Chain D Binding Site BS04

Receptor Information
>8e6s Chain D (length=1330) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSWIPENIKKKECVYFVESSKLSDAGKVVCQCGYTHEQHLEEATKPHTFQ
GTQWDPKKHVQEMPTDAFGDIVFTGLSQKVKKYVRVSQDTPSSVIYHLMT
QHWGLDVPNLLISVTGGAKNFNMKPRLKSIFRRGLVKVAQTTGAWIITGG
SHTGVMKQVGEAVRDFSLSSSYKEGELITIGVATWGTVHRREGLIHPTGS
FPAEYILDEDGQGNLTCLDSNHSHFILVDDGTHGQYGVEIPLRTRLEKFI
SEQTKERGGVAIKIPIVCVVLEGGPGTLHTIDNATTNGTPCVVVEGSGRV
ADVIAQVANLPVSDITISLIQQKLSVFFQEMFETFTESRIVEWTKKIQDI
VRRRQLLTVFREGKDGQQDVDVAILQALLKASRSQDHFGHENWDHQLKLA
VAWNRVDIARSEIFMDEWQWKPSDLHPTMTAALISNKPEFVKLFLENGVQ
LKEFVTWDTLLYLYENLDPSCLFHSKLQKVLVEDPERPACAPAAPRLQMH
HVAQVLRELLGDFTQPLYPRPRHNDRLRLLLPVPHVKLNVQGVSLRSLYK
RSSGHVTFTMDPIRDLLIWAIVQNRRELAGIIWAQSQDCIAAALACSKIL
KELSKEEEDTDSSEEMLALAEEYEHRAIGVFTECYRKDEERAQKLLTRVS
EAWGKTTCLQLALEAKDMKFVSHGGIQAFLTKVWWGQLSVDNGLWRVTLC
MLAFPLLLTGLISFREKRLQDVGTPAARARAFFTAPVVVFHLNILSYFAF
LCLFAYVLMVDFQPVPSWCECAIYLWLFSLVCEEMRQLFYDPDECGLMKK
AALYFSDFWNKLDVGAILLFVAGLTCRLIPATLYPGRVILSLDFILFCLR
LMHIFTISKTLGPKIIIVKRMMKDVFFFLFLLAVWVVSFGVAKQAILIHN
ERRVDWLFRGAVYHSYLTIFGQIPGYIDGFPEWLTVLLLCLYLLFTNILL
LNLLIAMFNYTFQQVQEHTDQIWKFQRHDLIEEYHGRPAAPPPFILLSHL
QLFIKRVVLKTPAKRHKQLKNKLEKNEEAALLSWEIYLKENYLQNRQFQQ
KQRPEQKIEDISNKVDAMVDLLDLDGDSYHVNARHLLYPNCPVTRFPVPN
EKVPWETEFLIYDPPFYTALEPLSTIQYNVVDGLRDRRSFHGPYTVQAGL
PLNPMGRTGLRGRGSLSCFGPNHTLYPMVTRWRRNEDGAICRKSIKKMLE
VLVVKLPLSEHWALPGGSREPGEMLPRKLKRILRQEHWPSFENLLKCGME
VYKGYMDDPRNTDNAWIETVAVSVHFQDQNDVELNRLNSNLHACDSGASI
RWQVVDRRIPLYANHKTLLQKAAAEFGAHY
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8e6s Chain D Residue 1604 [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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PDB8e6s A unified mechanism for human TRPM2 activation, desensitization and inhibition
Resolution4.6 Å
Binding residue
(original residue number in PDB)		D866 F867 W868 K932
Binding residue
(residue number reindexed from 1)		D807 F808 W809 K873
Annotation score4
External links
PDB RCSB:8e6s, PDBe:8e6s, PDBj:8e6s
PDBsum8e6s
PubMed
UniProtO94759|TRPM2_HUMAN Transient receptor potential cation channel subfamily M member 2 (Gene Name=TRPM2)

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