Structure of PDB 3nnl Chain A Binding Site BS03

Receptor Information

>3nnl Chain A (length=306) Species: 158786 (Lyngbya majuscula) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MNREQVEQLKQEYEEKGYCQIKKIFDFSAIKTIQKTLDQAKQESQISDID
TNDHAYDLVKYDFVSSFIQEKLALLNYITGKNLMIMHNALFSVEPNHKGL
PWHVGVGSFSFTKTEDFGASIWIPLDKITKEHRGGMQYVSTKIFPGQFYY
SVFDLHLKNNIKWDESQGDLNEYVANANTIYNKITEDVIDYTIKDGYEED
EYNLGDAFFFNKYVLHQSVPLKPGLHKLRRAFVIRLVDYDTRVDEERLGL
FSKYSQLHSRYYKTLPRYNKDSVLVMVSRAVQKGLKSPYLRDIPHVQQTL
AARMAA

Ligand information

Ligand ID

InChI

InChI=1S/ClH/h1H/p-1

InChIKey

VEXZGXHMUGYJMC-UHFFFAOYSA-M

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Cl-]

Formula

Name

CHLORIDE ION

PDB chain

3nnl Chain A Residue 321 [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	3nnl Conformational switch triggered by alpha-ketoglutarate in a halogenase of curacin A biosynthesis
Resolution	2.883 Å
Binding residue (original residue number in PDB)	H115 S120 H228 R247
Binding residue (residue number reindexed from 1)	H103 S108 H216 R235
Annotation score	3

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:3nnl, PDBe:3nnl, PDBj:3nnl
PDBsum	3nnl
PubMed	20660778
UniProt	Q6DNF2

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