Structure of PDB 8acq Chain B Binding Site BS08

Receptor Information
>8acq Chain B (length=949) Species: 243230 (Deinococcus radiodurans R1 = ATCC 13939 = DSM 20539) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDFDALGGRVTTVETRVETVNNSLTGRIAALERNAFSVKPSLTIGYSVSR
TSRNFDVDRLFPLNADGTVANNAFTSGGIDTDTGAQRRDFGDFGNASDPV
VAGAAGLYGFADGVSYTVYFTDGSTATFDGLNPADYKVPTGKVIDTTKGR
NGFGFNNLARYKEGSTDIGISLGFDTSGQFSQVTSGTGGSLFSTAGRLQV
NQIDLNFGLVTGLPSDAYVDTNGNGKKDDGEATGRGTYLGSGGTAAILRD
PAGNVYRPVFFRFKNATTQFSVGNNPVIVTLGQQQKFYFSDYVFDNNYDG
RGDGFTVTVDGSNVPVIGAWKPQIKGVYGSRSGLDGTAEAGYGVYYRGVR
AQITPVGTLTAGIHYAQEGRDMFGAAQNTTSTPSDVTTYGADLHGKAFGV
ELHSEYATSRVRPNTANAAVQTSNAFYARVATRKDNLAFDLNTPAAKFGN
DTFGVSLYDLNYRKIDAGYNNVAGISEYGYGSYSRTSAQNIAYNPDTGVT
APFANLDRQAYTDANNDGTSDRNADGTVVATNTKIGQMGFGVKAAANLGP
VAIGGYYDTSTGANGDNANRMTEAGGSAKVAYSIFSLRGTYNTLDSNRPQ
IYRDAAGTQIIGDAKVRRYAVQADVTPGLGLFVGAYYRDVNVNGVRSTTD
RGLLGRGYLASSFEPGVGNNAYRTGLRCADNNFGTGTRDIDGVGGVLNPA
VNLDQSRTATCFTSYGVEAGHAGDNANALVKDLFFRVGYSRVYVPTTATA
TTGDFSGSVTYGDARYDRKVGVANVRLAGSFSTTNTQLDSRPAGTRGAVG
LIVRTDPLENVPFRPQFNGQVGYYTADNRVAAGNYNANATKYGAGVVLND
FLLPQTKIGVRYDGYMAQNRQYTPFDGDGTQGYFSDANNNRRTNLNGVYV
EGAYQDLIFSYGTYTLSQKDLNGVEYGSGINNGQPARGQTFKISYKVNF
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain8acq Chain B Residue 1308 [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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PDB8acq The SDBC is active in quenching oxidative conditions and bridges the cell envelope layers in Deinococcus radiodurans.
Resolution2.54 Å
Binding residue
(original residue number in PDB)		D438 N440 N442 K444 D446 E449
Binding residue
(residue number reindexed from 1)		D220 N222 N224 K226 D228 E231
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8acq, PDBe:8acq, PDBj:8acq
PDBsum8acq
PubMed36502921
UniProtQ9RRB6|SLPA_DEIRA Outer membrane protein SlpA (Gene Name=slpA)

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