Structure of PDB 6r2q Chain B Binding Site BS06

Receptor Information
>6r2q Chain B (length=649) Species: 62322 (Shewanella baltica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VETGTSGTVGVGVGYNSEEDIRSANAFGTSNEVAGKLDADVTFRGEKGYR
ASVEAYQLGMDGGRLEVNAGKQGQYNVNVNYRQIATYNSNSALTPYSGVG
SDNLTLPDNWVTAGSSSQMPLLMDSLNSLELSLKRERTGLGFDYQGESLW
STHVSYMREEKTGLKKASGGFFNQSMMLAEPVDYTTDSIEAGIKLKGDNW
FTALNYNGSIFKNEYNQLNFDSAFNPTFGAQTSGSIALDPDNQSHTVSLM
GQYNDSTNVLSARLLTGQMSQDQALVTSGYGYQVPTEALDAKVDLIGLNL
KVVSKVTNSLRLSGSYDYNDRDNNTQIEEWTQVSINNVNGKVAYNTPYDN
TSQRFKVAADYRITRGMKLDGGYDFRRDERNYQDRETTDENTVWARFRVN
SFETWDMWVKGSYGQRDGSEYQASEWTSSETNSLLRKYNLANRDRTQVEA
RVTHSPIESLTIDFGARYALDDYTDTVIGLTESKDTSYDANISYMITDDL
LANAFYNYQIIESEQAGSSNYSTPTWTGFIEDKVDVVGAGISYNNLLENK
LRMGLDYTYSDSNSNTQVRQGITGDYGDYFAKVHNINLYAQYQATEKMAL
RFDYKIENYKDNDAANDIAVNGIWNVVGFGDNSHDYTAQMIMLSMSYKI
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 chain6r2q Chain B Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6r2q The Crystal Structure of a Biological Insulated Transmembrane Molecular Wire.
Resolution2.697 Å
Binding residue
(original residue number in PDB)		D368 N369 D395
Binding residue
(residue number reindexed from 1)		D322 N323 D349
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6r2q, PDBe:6r2q, PDBj:6r2q
PDBsum6r2q
PubMed32289252
UniProtP0DSN2|MTRB_SHEB8 Outer membrane protein MtrB (Gene Name=mtrB)

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