Structure of PDB 8ae1 Chain B Binding Site BS02

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 1202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		D438 N440 N442 K444 D446 E449
Binding residue
(residue number reindexed from 1)		D224 N226 N228 K230 D232 E235
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)

[Back to BioLiP]