Structure of PDB 8qbz Chain A Binding Site BS11

Receptor Information

>8qbz Chain A (length=626) Species: 211586 (Shewanella oneidensis MR-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SIQTLNLDITKVSYENGAPMVTVFATNEADMPVIGLANLEIKKALQLIPE
GATGPGNSANWQGLGSSKSYVDNKNGSYTFKFDAFDSNKVFNAQLTQRFN
VVSAAGKLADGTTVPVAEMVEDFDGQGNAPQYTKNIVSHEVCASCHVEGE
KIYHQATEVETCISCHTQEFADGRGKPHVAFSHLIHNVHNANKAWGKDNK
IPTVAQNIVQDNCQVCHVESDMLTEAKNWSRIPTMEVCSSCHVDIDFAAG
KGHSQQLDNSNCIACHNSDWTAELHTAKTTATKNLINQYGIETTSTINTK
TKAATISVQVVDANGTAVDLKTILPKVQRLEIITNVGPNNATLGYSGKDS
IFAIKNGALDPKATINDAGKLVYTTTKDLKLGQNGADSDTAFSFVGWSMC
SSEGKFVDCADPAFDGVDVTKYTGMKADLAFATLSGKAPSTRHVDSVNMT
ACANCHTAEFEIHKGKQHAGFVMTEQLSHTQDANGKAIVGLDACVTCHTP
DGTYSFANRGALELKLHKKHVEDAYGLIGGNCASCHSDFNLESFKKKGAL
NTAAAADKTGLYSTPITATCTTCHTVGSQYMVHTKETLESFGAVVDGTKD
DATSAAQSETCFYCHTPTVADHTKVK

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

8qbz Chain A Residue 811 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8qbz Genetic Code Expansion in Shewanella oneidensis MR-1 Allows Site-Specific Incorporation of Bioorthogonal Functional Groups into a c -Type Cytochrome.
Resolution	1.9 Å
Binding residue (original residue number in PDB)	D52 I53 E165
Binding residue (residue number reindexed from 1)	D8 I9 E121
Annotation score	4

External links

PDB	RCSB:8qbz, PDBe:8qbz, PDBj:8qbz
PDBsum	8qbz
PubMed	39158169
UniProt	Q8EG34

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