Structure of PDB 3h7y Chain B Binding Site BS02

Receptor Information

>3h7y Chain B (length=222) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EDMQELYFPTPKLIEWENGVRQYSTVRGDTEVLMSYVPPHTNVEPHQHKE
VQIGMVVSGELMMTVGDVTRKMTALESAYIAPPHVPHGARNDTDQEVIAI
DIKRLKADETYTSPEDYFLDIFKTRDLLPGMEVTFFVEDWVEIMLAKIPG
NGGEMPFHKHRNEQIGICIGGGYDMTVEGCTVEMKFGTAYFCEPREDHGA
INRSEKESKSINIFFPPRYNRA

Ligand information

Ligand ID

InChI

InChI=1S/Co/q+2

InChIKey

XLJKHNWPARRRJB-UHFFFAOYSA-N

SMILES

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

Formula

Name

COBALT (II) ION

PDB chain

3h7y Chain B Residue 245 [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	3h7y Role of Bacillus subtilis BacB in the synthesis of bacilysin
Resolution	2.22 Å
Binding residue (original residue number in PDB)	H162 H164 Q168 H202
Binding residue (residue number reindexed from 1)	H158 H160 Q164 H198
Annotation score	1

Enzymatic activity

Enzyme Commision number

5.3.3.19: 3-[(4R)-4-hydroxycyclohexa-1,5-dien-1-yl]-2-oxopropanoate isomerase.

Gene Ontology

	Molecular Function
GO:0005506	iron ion binding
GO:0016853	isomerase activity
GO:0016863	intramolecular oxidoreductase activity, transposing C=C bonds
GO:0046872	metal ion binding
GO:0050897	cobalt ion binding

	Biological Process
GO:0017000	antibiotic biosynthetic process

	Cellular Component
GO:0005737	cytoplasm

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Cellular Component

External links

PDB	RCSB:3h7y, PDBe:3h7y, PDBj:3h7y
PDBsum	3h7y
PubMed	19776011
UniProt	P39639\|BACB_BACSU H2HPP isomerase (Gene Name=bacB)

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