Structure of PDB 3n91 Chain A Binding Site BS01

Receptor Information

>3n91 Chain A (length=315) Species: 411476 (Bacteroides ovatus ATCC 8483) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

FDYQTVYFANQYGLRTIELGESEFVDNTLDNQHKMVIKAAWGGGYTNRNN
VVINFKVDESLCDNLYFKDTDQPLVPMPASYYTLASDRIAIPKGQIMAGV
EVQLTDDFFADEKSISENYVIPLLMTNVQGADSILQGKPVVENPVLTNAG
DWSILPQNFVLYAVKYVNPWHGEYLRRGIDHATVAGTSKDIIRHEQFVEN
DEVVNISTKSMKDNLLTLKTKDESGKDISYTVRLSFAEDGSCTVHSGSQN
VVVSGSGKFVSKGEKNSLGGKDRNAIYLDYTVNLTDNNIQLATKDTLVLR
TRNVYGGKSLEVVRK

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

3n91 Chain A Residue 1 [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	3n91 Crystal structure of a STRUCTURAL GENOMICS, UNKNOWN FUNCTION (BACOVA_03430) from Bacteroides ovatus at 2.40 A resolution
Resolution	2.4 Å
Binding residue (original residue number in PDB)	D31 Q33 D161
Binding residue (residue number reindexed from 1)	D2 Q4 D132
Annotation score	4

External links

PDB	RCSB:3n91, PDBe:3n91, PDBj:3n91
PDBsum	3n91
PubMed

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