Structure of PDB 3mmz Chain C Binding Site BS01

Receptor Information
>3mmz Chain C (length=162) Species: 227882 (Streptomyces avermitilis MA-4680 = NBRC 14893) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LGALPTAEDIDAVVLDFDGTQTDDRVLIDSDGREFVSVHRGDGLGIAALR
KSGLTMLILSTEQNPVVAARARKLKIPVLHGIDRKDLALKQWCEEQGIAP
ERVLYVGNDVNDLPCFALVGWPVAVASAHDVVRGAARAVTTVPGGDGAIR
EIASWILGPSLD
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 chain3mmz Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3mmz Structural basis for the divergence of substrate specificity and biological function within HAD phosphatases in lipopolysaccharide and sialic acid biosynthesis.
Resolution1.84 Å
Binding residue
(original residue number in PDB)		G136 A138
Binding residue
(residue number reindexed from 1)		G134 A136
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.43: N-acylneuraminate cytidylyltransferase.
3.1.3.45: 3-deoxy-manno-octulosonate-8-phosphatase.
Gene Ontology
Molecular Function
GO:0016788 hydrolase activity, acting on ester bonds

View graph for
Molecular Function
External links
PDB RCSB:3mmz, PDBe:3mmz, PDBj:3mmz
PDBsum3mmz
PubMed23848398
UniProtQ82HY3

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