Structure of PDB 7a5o Chain D Binding Site BS02

Receptor Information
>7a5o Chain D (length=497) 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
VEDTHYPCCLWSDWINEDHPSSGSDDGDRETFDGVCGAPEDIECRSVKDP
HLSLEQHGQKVQCDVSVGFICKNEDQFGNGPFGLCYDYKIRVNCCWP
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 chain7a5o Chain D Residue 1502 [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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PDB7a5o Assembly Mechanism of Mucin and von Willebrand Factor Polymers.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		D1312 H1313 S1316 G1317 D1319 G1321
Binding residue
(residue number reindexed from 1)		D418 H419 S422 G423 D425 G427
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7a5o, PDBe:7a5o, PDBj:7a5o
PDBsum7a5o
PubMed33031746
UniProtQ02817|MUC2_HUMAN Mucin-2 (Gene Name=MUC2)

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