Structure of PDB 4s01 Chain B Binding Site BS01

Receptor Information

>4s01 Chain B (length=439) Species: 644107 (Ruegeria lacuscaerulensis ITI-1157) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RKIDPSRGATLGDGTPNDNDRIEIGPTQLAFSEWAAAGLQLPNLDRMREY
RWKRLTQAIVDRGYGGLLMFDPLNIRYATDSTNMQLWNTHNPFRAVLLCA
DGYMVIWDYKNSPFLSKFNPLVREQRSGADLFYFDRGDKVDVQADVFANE
VRVLMQDHAPGHTRLAVDKIMLHGLRALEAQGFEIMEGEEVTEKTRAIKG
PDEILAMRCASHACETAVAEMEKFARAHVGDGKTSEDDIWAVLHAENIKR
GGEWIETRLLASGPRTNPWFQECGPRITQKNEIIAFDTDLIGSYGICVDI
SRTWWIGDQKPRPDMVYAMQHAHEHIMTNMEMLKPGVMIPDLTANCHRLD
DKFQAQKYGCLMHGVGLCNEWPLVAYPDKAVPGSYDYPLEPGMVLCVEAA
VGEVGGDFSIKLEDQVLITEDGYENLTTYPFDAALMGLA

Ligand information

Ligand ID

InChI

InChI=1S/Fe/q+3

InChIKey

VTLYFUHAOXGGBS-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Fe+3]

Formula

Name

FE (III) ION

PDB chain

4s01 Chain B Residue 501 [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	4s01 Structural and molecular basis for the novel catalytic mechanism and evolution of DddP, an abundant peptidase-like bacterial Dimethylsulfoniopropionate lyase: a new enzyme from an old fold.
Resolution	2.1 Å
Binding residue (original residue number in PDB)	D307 H371 E406 E421
Binding residue (residue number reindexed from 1)	D299 H363 E398 E413
Annotation score	4

External links

PDB	RCSB:4s01, PDBe:4s01, PDBj:4s01
PDBsum	4s01
PubMed	26154071

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