Structure of PDB 6h98 Chain A Binding Site BS01

Receptor Information

>6h98 Chain A (length=424) Species: 290315 (Chlorobium limicola DSM 245) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

HMEITTDSLLALLGSEKVKIIDVRSADAYNGWRMRGEVRGGHIKGAKSLP
AKWLTDPEWLNIVRFKQIRPEDAIVLYGYTPEECEQTATRFKENGYNNVS
VFHRFHPDWTGNDAFPMDRLEQYNRLVPAEWVNGLISGEEIPEYDNDTFI
VCHAHYRNRDAYLSGHIPGATDMDTLALESPETWNRRTPEELKKALEEHG
ITASTTVVLYGKFMHPDNADEFPGSAAGHIGAIRLAFIMMYAGVEDVRVL
NGGYQSWTDAGFAISKDDVPKTTVPEFGAPIPSRPEFAVDIDEAKEMLQS
EDSDLVCVRSYPEYIGEVSGYNYIAAAGRIPGAIFAECGSDAYHMENYRN
HDHTTREYHEIEDIWAKSGIIPKKHLAFYCGTGWRGSEAWFNALLMGWPR
VSVYDGGWFEWSNDPENPYETGVP

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

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

Formula

Name

MAGNESIUM ION

PDB chain

6h98 Chain A Residue 502 [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	6h98 Structural and Mechanistic Basis for Anaerobic Ergothioneine Biosynthesis.
Resolution	1.8 Å
Binding residue (original residue number in PDB)	W216 N217 T414 D437
Binding residue (residue number reindexed from 1)	W184 N185 T382 D405
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	E345 C412 G413 T414 G415 W416 R417 G439
Catalytic site (residue number reindexed from 1)	E313 C380 G381 T382 G383 W384 R385 G407
Enzyme Commision number	?

Gene Ontology

	Molecular Function
GO:0004792	thiosulfate sulfurtransferase activity
GO:0016740	transferase activity
GO:0046872	metal ion binding

View graph for
Molecular Function

External links

PDB	RCSB:6h98, PDBe:6h98, PDBj:6h98
PDBsum	6h98
PubMed	30943021
UniProt	B3ECE3

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