Structure of PDB 6tm2 Chain C Binding Site BS01

Receptor Information
>6tm2 Chain C (length=407) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RALSCQTLAAGYYHVCPDGLMDDGRGGCVVEKECPCVHNNDLYSSGAKIK
VDCNTCTCKRGRWVCTQAVCHGTCSIYGSGHYITFDGKYYDFDGHCSYVA
VQDYCGLGSFSIITENVPCGTTGVTCSKAIKIFMGRTELKLEDKHRVVIQ
RDEGHHVAYTTREVGQYLVVESSTGIIVIWDKRTTVFIKLAPSYKGTVCG
LCGNFDHRSNNDFTTRDHMVVSSELDFGNSWKEAPTCPDVSTNPEPCSLN
PHRRSWAEKQCSILKSSVFSICHSKVDPKPFYEACVHDSCSCDTGGDCEC
FCSAVASYAQECTKEGACVFWRTPDLCPIFCDYYNPPHECEWHYEPCGNR
SFETCRTINGIHSNISVSYLEGCYPRCPKDRPIYEEDLKKCVTADKCGCY
VEDTHYP
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 chain6tm2 Chain C Residue 1201 [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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PDB6tm2 Assembly Mechanism of Mucin and von Willebrand Factor Polymers.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		D872 N994 D996 R998 N1001 D1002
Binding residue
(residue number reindexed from 1)		D86 N204 D206 R208 N211 D212
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6tm2, PDBe:6tm2, PDBj:6tm2
PDBsum6tm2
PubMed33031746
UniProtQ02817|MUC2_HUMAN Mucin-2 (Gene Name=MUC2)

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