Structure of PDB 4c16 Chain A Binding Site BS01

Receptor Information
>4c16 Chain A (length=280) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WSYNTSTEAMTYDEASAYCQQRYTHLVAIQNKEEIEYLNSILSYSPSYYW
IGIRKVNNVWVWVGTQKPLTEEAKNWAPGEPNNRQKDEDCVEIYIKREKD
VGMWNDERCSKKKLALCYTAACTNTSCSGHGECVETINNYTCKCDPGFSG
LKCEQIVNCTALESPEHGSLVCSHPLGNFSYNSSCSISCDRGYLPSSMET
MQCMSSGEWSAPIPACNVVECDAVTNPANGFVECFQNPGSFPWNTTCTFD
CEEGFELMGAQSLQCTSSGNWDNEKPTCKA
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 chain4c16 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4c16 E-Selectin Ligand Complexes Adopt an Extended High-Affinity Conformation.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		E80 N82 E88 N105 D106
Binding residue
(residue number reindexed from 1)		E80 N82 E88 N105 D106
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0016020 membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:4c16, PDBe:4c16, PDBj:4c16
PDBsum4c16
PubMed26117840
UniProtP16581|LYAM2_HUMAN E-selectin (Gene Name=SELE)

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