Structure of PDB 4iy1 Chain A Binding Site BS01

Receptor Information

>4iy1 Chain A (length=249) Species: 358 (Agrobacterium tumefaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

STAIVTNVKHFGGMGSALRLSEAGHTVACHDESFKHQDELEAFAETYPQL
IPMSEQEPVELIEAVTSALGHVDILVSNDIAPVEWRPIDKYAVEDYRDMV
EALQIKPFALANAVASQMKRRKSGHIIFITSAASFGPWKELSTYASARAG
ASALANALSKELGEHNIPVFAIAPNGVDSGDSPYYYPSEPWKTSPEHVAW
VRKYTALQRLGTQKELGELVTFLASGSCDYLTGQVFWLAGGFPVVERWP

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

4iy1 Chain A Residue 301 [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	4iy1 Biocatalytic and structural properties of a highly engineered halohydrin dehalogenase.
Resolution	2.1 Å
Binding residue (original residue number in PDB)	P175 N176 Y187
Binding residue (residue number reindexed from 1)	P174 N175 Y186
Annotation score	3

Enzymatic activity

Enzyme Commision number

4.5.1.-

External links

PDB	RCSB:4iy1, PDBe:4iy1, PDBj:4iy1
PDBsum	4iy1
PubMed	23585096
UniProt	Q93D82

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