Structure of PDB 8oes Chain D Binding Site BS01

Receptor Information
>8oes Chain D (length=1168) 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
GAVCSCTGGKLSCLGGCAAPMVYLDCSNSSAGTPGAECLRSCHTLDVGCF
STHCVSGCVCPPGLVSDGSGGCIAEEDCPCVHNEATYKPGETIRVDCNTC
TCRNRRWECSHRLCLGTCVAYGDGHFITFDGDRYSFEGSCEYILAQDYCG
DNTTHGTFRIVTENIPCGTTGTTCSKAIKLFVESYELILQEGTFKAVARG
PGGDPPYKIRYMGIFLVIETHGMAVSWDRKTSVFIRLHQDYKGRVCGLCG
NFDDNAINDFATRSRSVVGDALEFGNSWKLSPSCPDALAPKDPCTANPFR
KSWAQKQCSILHGPTFAACRSQVDSTKYYEACVNDACACDSGGDCECFCT
AVAAYAQACHDAGLCVSWRTPDTCPLFCDFYNPHGGCEWHYQPCGAPCLK
TCRNPSGHCLVDLPGLEGCYPKCPPSQPFFNEDQMKCVAQCGCYDKDGNY
YDVGARVPCNCTPSGIQC
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 chain8oes 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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PDB8oes 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)		D830 N951 D953 N955 N958 D959
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8oes, PDBe:8oes, PDBj:8oes
PDBsum8oes
PubMed
UniProtQ9HC84|MUC5B_HUMAN Mucin-5B (Gene Name=MUC5B)

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