Structure of PDB 8ae1 Chain C Binding Site BS03

Receptor Information
>8ae1 Chain C (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 C Residue 1203 [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)		R549 G551 G559
Binding residue
(residue number reindexed from 1)		R335 G337 G345
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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