Structure of PDB 8ro4 Chain B Binding Site BS01

Receptor Information

>8ro4 Chain B (length=339) Species: 358 (Agrobacterium tumefaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MKTIKGPAIFLAQFVGDKAPFDTLDNLGQWAASLGYKGIQVPTDPKLFDL
EKAAASKAYCDDIKGRLAETGIEITELSTHIQGQLVSVHPAYDEMFDGFA
PAELRGRPQARQEWAVNQLKCAAKASQHLGLKSHASFSGALAWPFIYPWP
QRPAGLVEMAFAELGKRWTPILDTFEENGVDLCYELHPGEDLHDGITFER
FLEATGNHSRANILYDPSHFVLQAMDYLDFIDIYHERIRAFHVKDAEFNP
TGRSGVYGGYQGWVDRPGRFRSLGDGHVDFGAVFSKLTQYDFEGWAVLEW
ECALKHPEDGAREGAGFIENHIIRVTGTDDAANRRLLGL

Ligand information

Ligand ID

InChI

InChI=1S/Mn/q+2

InChIKey

WAEMQWOKJMHJLA-UHFFFAOYSA-N

SMILES

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

Formula

Name

MANGANESE (II) ION

PDB chain

8ro4 Chain B Residue 401 [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	8ro4 Enzyme Machinery for Bacterial Glucoside Metabolism through a Conserved Non-hydrolytic Pathway.
Resolution	2.51 Å
Binding residue (original residue number in PDB)	E185 D216 H242 E299
Binding residue (residue number reindexed from 1)	E185 D216 H242 E299
Annotation score	4

External links

PDB	RCSB:8ro4, PDBe:8ro4, PDBj:8ro4
PDBsum	8ro4
PubMed	39041709

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