Structure of PDB 3t9g Chain A Binding Site BS01

Receptor Information
>3t9g Chain A (length=196) Species: 31899 (Caldicellulosiruptor bescii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VGTNTGGVLVITDTIIVKSGQTYDGKGIKIIAQGMGDGSQSENQKPIFKL
EKGANLKNVIIGAPGCDGIHCYGDNVVENVVWEDVGEDALTVKSEGVVEV
IGGSAKEAADKVFQLNAPCTFKVKNFTATNIGKLVRQNGNTTFKVVIYLE
DVTLNNVKSCVAKSDSPVSELWYHNLNVNNCKTLFEFPSQSQIHQY
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 chain3t9g Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3t9g A 1.5 A resolution X-ray structure of the catalytic module of Caldicellulosiruptor bescii family 3 pectate lyase.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		D81 V82 E104
Binding residue
(residue number reindexed from 1)		D84 V85 E107
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:3t9g, PDBe:3t9g, PDBj:3t9g
PDBsum3t9g
PubMed22139151
UniProtB9MKT4

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