Structure of PDB 4inf Chain C Binding Site BS01

Receptor Information

>4inf Chain C (length=348) Species: 279238 (Novosphingobium aromaticivorans DSM 12444) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DLKTGGEQGYLRIATEEAFATREIIDVYLRMIRDGTADKGMVSLWGFYAQ
SPSERATQILERLLDLGERRIADMDATGIDKAILALTSPGVQPLHDLDEA
RTLATRANDTLADACQKYPDRFIGMGTVAPQDPEWSAREIHRGARELGFK
GIQINSHTQGRYLDEEFFDPIFRALVEVDQPLYIHPATSPDSMIDPMLEA
GLDGAIFGFGVETGMHLLRLITIGIFDKYPSLQIMVGHMGEALPYWLYRL
DYMHQAGVRSQRYERMKPLKKTIEGYLKSNVLVTNSGVAWEPAIKFCQQV
MGEDRVMYAMDYPYQYVADEVRAMDAMDMSAQTKKKFFQTNAEKWFKL

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

4inf Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4inf Crystal structure of amidohydrolase sarp_0799 (target efi-505250) from novosphingobium aromaticivorans
Resolution	1.48 Å
Binding residue (original residue number in PDB)	E19 H188 D314
Binding residue (residue number reindexed from 1)	E16 H185 D311
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0016787	hydrolase activity
GO:0016829	lyase activity
GO:0016831	carboxy-lyase activity
GO:0046872	metal ion binding

	Biological Process
GO:0019748	secondary metabolic process

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol

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Cellular Component

External links

PDB	RCSB:4inf, PDBe:4inf, PDBj:4inf
PDBsum	4inf
PubMed
UniProt	Q2GA79

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