Structure of PDB 3s18 Chain A Binding Site BS01

Receptor Information
>3s18 Chain A (length=224) Species: 3827 (Cicer arietinum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GYINAAFRSSRNNEAYLFINDKYVLLDYAPGTSNDKVLYGPSFVRDGYKS
LAKTIFGTYGIDCSFDTEYNEAFIFYENFCARIDYAPHSDKDKIISGPKK
IADMFPFFKGTVFENGIDAAFRSTKGKEVYLFKGDKYARIDYLTNRLVQN
KSISDTGFPCLRGTIFEAGMDSAFASHKTNEAYLFKGEYYARINFTPGST
NDIMGGVKKTLDYWPSLRGIIPLE
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 chain3s18 Chain A Residue 229 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3s18 Crystal structure of a plant albumin from Cicer arietinum (chickpea) possessing hemopexin fold and hemagglutination activity
Resolution2.2 Å
Binding residue
(original residue number in PDB)		N7 D65 D121 D174
Binding residue
(residue number reindexed from 1)		N4 D62 D118 D171
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3s18, PDBe:3s18, PDBj:3s18
PDBsum3s18
PubMed25559942
UniProtG1K3S0

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