Structure of PDB 6r2q Chain B Binding Site BS05

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 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

6r2q Chain B Residue 701 [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	6r2q The Crystal Structure of a Biological Insulated Transmembrane Molecular Wire.
Resolution	2.697 Å
Binding residue (original residue number in PDB)	N259 N262 D287
Binding residue (residue number reindexed from 1)	N213 N216 D241
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:6r2q, PDBe:6r2q, PDBj:6r2q
PDBsum	6r2q
PubMed	32289252
UniProt	P0DSN2\|MTRB_SHEB8 Outer membrane protein MtrB (Gene Name=mtrB)

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