Structure of PDB 4lyk Chain C Binding Site BS02

Receptor Information

>4lyk Chain C (length=252) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

IVTPEAISLALENHEFKPWIQPVFCAQTGVLTGCEVLVRWEHPQTGIIPP
DQFIPLAESSGLIVIMTRQLMKQTADILMPVKHLLPDNFHIGINVSAGCF
LAAGFEKECLNLVNKLGNDKIKLVLELTERNPIPVTPEARAIFDSLHQHN
ITFALDDFGTGYATYRYLQAFPVDFIKIDKSFVQMASVDEISGHIVDNIV
ELARKPGLSIVAEGVETQEQADLMIGKGVHFLQGYLYSPPVPGNKFISEW
VM

Ligand information

Ligand ID

HB0

InChI

InChI=1S/C7H14O2/c8-5-6-1-3-7(9)4-2-6/h6-9H,1-5H2/t6-,7-

InChIKey

VGRZISGVNOKTQU-LJGSYFOKSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	C1CC(CCC1CO)O
CACTVS 3.370	OC[CH]1CC[CH](O)CC1
CACTVS 3.370	OC[C@H]1CC[C@H](O)CC1
ACDLabs 12.01	OCC1CCC(O)CC1

Formula

C7 H14 O2

Name

trans-4-(hydroxymethyl)cyclohexanol

PDB chain

4lyk Chain C Residue 402 [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	4lyk Inherent Regulation of EAL Domain-catalyzed Hydrolysis of Second Messenger Cyclic di-GMP.
Resolution	2.4 Å
Binding residue (original residue number in PDB)	V129 T138 G139 H196 V230 E232 F281 F337
Binding residue (residue number reindexed from 1)	V23 T32 G33 H90 V124 E126 F175 F231
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.1.4.52: cyclic-guanylate-specific phosphodiesterase.

External links

PDB	RCSB:4lyk, PDBe:4lyk, PDBj:4lyk
PDBsum	4lyk
PubMed	24451384
UniProt	P21514\|PDEL_ECOLI Cyclic di-GMP phosphodiesterase PdeL (Gene Name=pdeL)

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