Structure of PDB 8oer Chain B Binding Site BS02

Receptor Information

>8oer Chain B (length=715) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AHNGRVCSTWGDFHYKTFDGDVFRFPGLCNYVFSEHCRAAYEDFNVQLRR
GLVGSRPVVTRVVIKAQGLVLEASNGSVLINGQREELPYSRTGLLVEQSG
DYIKVSIRLVLTFLWNGEDSALLELDPKYANQTCGLCGDFNGLPAFNEFY
AHNARLTPLQFGNLQKLDGPTEQCPDPLPLPAGNCTDEEGICHRTLLGPA
FAECHALVDSTAYLAACAQDLCRCPTCPCATFVEYSRQCAHAGGQPRNWR
CPELCPRTCPLNMQHQECGSPCTDTCSNPQRAQLCEDHCVDGCFCPPGTV
LDDITHSGCLPLGQCPCTHGGRTYSPGTSFNTTCSSCTCSGGLWQCQDLP
CPGTCSVQGGAHISTYDEKLYDLHGDCSYVLSKKCADSSFTVLAELRKCG
LTDNENCLKAVTLSLDGGDTAIRVQADGGVFLNSIYTQLPLSAANITLFT
PSSFFIVVQTGLGLQLLVQLVPLMQVFVRLDPAHQGQMCGLCGNFNQNQA
DDFTALSGVVEATGAAFANTWKAQAACANARNSFEDPCSLSVENENYARH
WCSRLTDPNSAFSRCHSIINPKPFHSNCMFDTCNCERSEDCLCAALSSYV
HACAAKGVQLSDWRDGVCTKYMQNCPKSQRYAYVVDACQPTCRGLSEADV
TCSVSFVPVDGCTCPAGTFLNDAGACVPAQECPCYAHGTVLAPGEVVHDE
GAVCSCTGGKLSCLG

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

8oer Chain B Residue 806 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8oer Pulmonary Fibrosis Linked to Impaired Mucin 5B Supramolecular Assembly
Resolution	3.0 Å
Binding residue (original residue number in PDB)	D437 N564 N566 N568 D571 D572
Binding residue (residue number reindexed from 1)	D367 N494 N496 N498 D501 D502
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:8oer, PDBe:8oer, PDBj:8oer
PDBsum	8oer
PubMed
UniProt	Q9HC84\|MUC5B_HUMAN Mucin-5B (Gene Name=MUC5B)

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