Structure of PDB 5mkg Chain B Binding Site BS02

Receptor Information

>5mkg Chain B (length=249) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SPSSELRRALEANEFIPYYQPLSPGQGGRWIGVEVLMRWRHPREGLIRPD
LFIPFAERSGLIVPMTRALMRQVAEDLGGHAGKLEPGFHIGFNISATHCH
ELALVDDCRELLAAFPPGHITLVLELTERELIESSEVTDRLFDELHALGV
KIAIDDFGTAYLRKFQVDCLKIDQSFVARIGIDTLSGHILDSIVELSAKL
DLDIVAEGVETPEQRDYLAARGVDYLQGYLIGRPMPLESLLSSLTVQEG

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

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

Formula

Name

CALCIUM ION

PDB chain

5mkg Chain B Residue 302 [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	5mkg Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Resolution	2.44 Å
Binding residue (original residue number in PDB)	E39 N98 E130 D160
Binding residue (residue number reindexed from 1)	E34 N93 E125 D155
Annotation score	4

External links

PDB	RCSB:5mkg, PDBe:5mkg, PDBj:5mkg
PDBsum	5mkg
PubMed	28186120

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