Structure of PDB 5whb Chain F Binding Site BS01

Receptor Information
>5whb Chain F (length=31) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRRPRCPGDDASIEDLHEYWARLWNYLYRVA
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 chain5whb Chain F Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5whb Exceptionally high-affinity Ras binders that remodel its effector domain.
Resolution2.18 Å
Binding residue
(original residue number in PDB)		D16 E19
Binding residue
(residue number reindexed from 1)		D15 E18
Annotation score4
External links