Structure of PDB 5z54 Chain D Binding Site BS02

Receptor Information
>5z54 Chain D (length=198) Species: 230521 (Fischerella ambigua UTEX 1903) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVSIPINNAGFEDPFIEVVDDYTVDTPPGWTTYNPNNLVPEKRTTWTSNN
GVGYVGPGTQFYNQLAPEGRNIGYIYLAQKPGSGVAGFEQILDATLEPDT
KYTLKVDVGNFGGEFQKISLAGFPGYRVELLAGDTVLAADHNNLYIKDGE
FKTSTVTFTATPDNPYLDQKLGIRLINLLQGTFSGLDFDNVRLTVEPA
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 chain5z54 Chain D Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5z54 The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Resolution2.16 Å
Binding residue
(original residue number in PDB)		N137 F138 L147 A148 G149 D175
Binding residue
(residue number reindexed from 1)		N110 F111 L120 A121 G122 D148
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links