Structure of PDB 4ew9 Chain A Binding Site BS04

Receptor Information
>4ew9 Chain A (length=195) Species: 521460 (Caldicellulosiruptor bescii DSM 6725) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTNTGGVLVITDTIIVKSGQTYDGKGIKIIAQGMGDGSQSENQKPIFKLE
KGANLKNVIIGAPGCDGIHCYGDNVVENVVWEDVGEDALTVKSEGVVEVI
GGSAKEAADKVFQLNAPCTFKVKNFTATNIGKLVRQNGNTTFKVVIYLED
VTLNNVKSCVAKSDSPVSELWYHNLNVNNCKTLFEFPSQSQIHQY
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 chain4ew9 Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ew9 The structure and mode of action of Caldicellulosiruptor bescii family 3 pectate lyase in biomass deconstruction.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		D64 E84 D85
Binding residue
(residue number reindexed from 1)		D66 E86 D87
Annotation score4
Enzymatic activity
Enzyme Commision number 4.2.2.2: pectate lyase.
Gene Ontology
Molecular Function
GO:0030570 pectate lyase activity
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:4ew9, PDBe:4ew9, PDBj:4ew9
PDBsum4ew9
PubMed23519661
UniProtB9MKT4

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