Structure of PDB 8oer Chain D Binding Site BS01

Receptor Information
>8oer Chain D (length=453) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GCAAPMVYLDCSNSSAGTPGAECLRSCHTLDVGCFSTHCVSGCVCPPGLV
SDGSGGCIAEEDCPCVHNEATYKPGETIRVDCNTCTCRNRRWECSHRLCL
GTCVAYGDGHFITFDGDRYSFEGSCEYILAQDYCGDNTTHGTFRIVTENI
PCGTTGTTCSKAIKLFVESYELILQEGTFKAVARGPGGDPPYKIRYMGIF
LVIETHGMAVSWDRKTSVFIRLHQDYKGRVCGLCGNFDDNAINDFATRSR
SVVGDALEFGNSWKLSPSCPDALAPKDPCTANPFRKSWAQKQCSILHGPT
FAACRSQVDSTKYYEACVNDACACDSGGDCECFCTAVAAYAQACHDAGLC
VSWRTPDTCPLFCDFYNPHGGCEWHYQPCGAPCLKTCRNPSGHCLVDLPG
LEGCYPKCPPSQPFFNEDQMKCVAQCGCYDKDGNYYDVGARVPCNCTPSG
IQC
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 chain8oer Chain D Residue 2001 [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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PDB8oer Pulmonary Fibrosis Linked to Impaired Mucin 5B Supramolecular Assembly
Resolution3.0 Å
Binding residue
(original residue number in PDB)		D907 N1028 D1030 N1032 N1035 D1036
Binding residue
(residue number reindexed from 1)		D115 N236 D238 N240 N243 D244
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8oer, PDBe:8oer, PDBj:8oer
PDBsum8oer
PubMed
UniProtQ9HC84|MUC5B_HUMAN Mucin-5B (Gene Name=MUC5B)

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