Structure of PDB 7pov Chain C Binding Site BS01

Receptor Information
>7pov Chain C (length=440) 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
VEDTHYPPGASVPTEETCKSCVCTNSSQVVCRPEEGFCYW
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 chain7pov Chain C Residue 1301 [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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PDB7pov Helical self-assembly of a mucin segment suggests an evolutionary origin for von Willebrand factor tubules.
Resolution3.8 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:7pov, PDBe:7pov, PDBj:7pov
PDBsum7pov
PubMed35377815
UniProtQ02817|MUC2_HUMAN Mucin-2 (Gene Name=MUC2)

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