Structure of PDB 5mkg Chain B Binding Site BS03

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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5mkg Chain B Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5mkg Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Resolution2.44 Å
Binding residue
(original residue number in PDB)		D160 D161 E217
Binding residue
(residue number reindexed from 1)		D155 D156 E207
Annotation score4
External links