Structure of PDB 1s18 Chain B Binding Site BS01

Receptor Information
>1s18 Chain B (length=315) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YNDTYPLSPPQRTPAGIRYRIAVIADLDTESRAQEENTWFSYLKKGYLTL
SDSGDKVAVEWDKDHGVLESHLAEKGRGMELSDLIVFNGKLYSVDDRTGV
VYQIEGSKAVPWVILSDGDGTVEKGFKAEWLAVKDERLYVGGLGKEWTTT
TGDVVNENPEWVKVVGYKGSVDHENWVSNYNALRAAAGIQPPGYLIHESA
CWSDTLQRWFFLPRRASQERYSEKDDERKGANLLLSASPDFGDIAVSHVG
AVVPTHGFSSFKFIPNTDDQIIVALKSEEDSGRVASYIMAFTLDGRFLLP
ETKIGSVKYEGIEFI
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 chain1s18 Chain B Residue 1002 [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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PDB1s18 Structure and protein design of a human platelet function inhibitor.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		S98 D99 E145 E214 S275 E326
Binding residue
(residue number reindexed from 1)		S82 D83 E129 E198 S259 E310
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.6: nucleoside diphosphate phosphatase.
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0017110 nucleoside diphosphate phosphatase activity

View graph for
Molecular Function
External links
PDB RCSB:1s18, PDBe:1s18, PDBj:1s18
PDBsum1s18
PubMed15006348
UniProtQ8WVQ1|CANT1_HUMAN Soluble calcium-activated nucleotidase 1 (Gene Name=CANT1)

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