Structure of PDB 8ae1 Chain B Binding Site BS01

Receptor Information
>8ae1 Chain B (length=953) Species: 1299 (Deinococcus radiodurans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FVQRSDFDALGGRVTTVETRVETVNNSLTGRIAALERNAFSVKPSLTIGY
SVSRTSRNFDVDRLFPLNADGTVANNAFTSGGIDTDTGAQRRDFGDFGNA
SDPVVAGAAGLYGFADGVSYTVYFTDGSTATFDGLNPADYKVPTGKVIDT
TKGRNGFGFNNLARYKEGSTDIGISLGFDTSGQFSQVTSGTGGSLFSTAG
RLQVNQIDLNFGLVTGLPSDAYVDTNGNGKKDDGEATGRGTYLGSGGTAA
ILRDPAGNVYRPVFFRFKNATTQFSVGNNPVIVTLGQQQKFYFSDYVFDN
NYDGRGDGFTVTVDGSNVPVIGAWKPQIKGVYGSRSGLDGTAEAGYGVYY
RGVRAQITPVGTLTAGIHYAQEGRDMFGAAQNTTSTPSDVTTYGADLHGK
AFGVELHSEYATSRVRPNTANAAVQTSNAFYARVATRKDNLAFDLNTPAA
KFGNDTFGVSLYDLNYRKIDAGYNNVAGISEYGYGSYSRTSAQNIAYNPD
TGVTAPFANLDRQAYTDANNDGTSDRNADGTVVATNTKIGQMGFGVKAAA
NLGPVAIGGYYDTSTGANGDNANRMTEAGGSAKVAYSIFSLRGTYNTLDS
NRPQIYRDAAGTQIIGDAKVRRYAVQADVTPGLGLFVGAYYRDVNVNGVR
STTDRGLLGRGYLASSFEPGVGNNAYRTGLRCADNNFGTGTRDIDGVGGV
LNPAVNLDQSRTATCFTSYGVEAGHAGDNANALVKDLFFRVGYSRVYVPT
TATATTGDFSGSVTYGDARYDRKVGVANVRLAGSFSTTNTQLDSRPAGTR
GAVGLIVRTDPLENVPFRPQFNGQVGYYTADNRVAAGNYNANATKYGAGV
VLNDFLLPQTKIGVRYDGYMAQNRQYTPFDGDGTQGYFSDANNNRRTNLN
GVYVEGAYQDLIFSYGTYTLSQKDLNGVEYGSGINNGQPARGQTFKISYK
VNF
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 chain8ae1 Chain B Residue 1201 [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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PDB8ae1 A multidomain connector links the outer membrane and cell wall in phylogenetically deep-branching bacteria.
Resolution3.25 Å
Binding residue
(original residue number in PDB)		D274 D276 R305 F308 D310
Binding residue
(residue number reindexed from 1)		D60 D62 R91 F94 D96
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8ae1, PDBe:8ae1, PDBj:8ae1
PDBsum8ae1
PubMed35943982
UniProtQ9RRB6|SLPA_DEIRA Outer membrane protein SlpA (Gene Name=slpA)

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