Structure of PDB 4m8d Chain C Binding Site BS03

Receptor Information

>4m8d Chain C (length=262) Species: 384765 (Roseibium aggregatum IAM 12614) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MSAQSALSGLGAKLLSGEVEVVDCTGVLGPNTPILQLPPDFAKNTPKVEI
HKISEYDSDGPFFAWNWMVLGEHSGTHFDAPHHWITGKDYSDGFTDTLDV
QRLIAPVNVIDCSKESAADPDFLLTADLIKAWEAEHGEIGAGEWVVMRTD
WDKRAGDEAAFLNADETGPHSPGPTPDAIEYLLSKKIVGWGSQCIGTDAG
QAGGMEPPFPAHNLLHRDNCFGLASLANLDKLPAKGAILIAAPLKIERGT
GSPIRALALVPK

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

4m8d Chain C Residue 304 [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	4m8d A proton wire and water channel revealed in the crystal structure of isatin hydrolase.
Resolution	1.9 Å
Binding residue (original residue number in PDB)	N228 D230 K231
Binding residue (residue number reindexed from 1)	N228 D230 K231
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.5.2.20: isatin hydrolase.

Gene Ontology

	Molecular Function
GO:0004061	arylformamidase activity
GO:0016787	hydrolase activity
GO:0016812	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides
GO:0030145	manganese ion binding
GO:0046872	metal ion binding

	Biological Process
GO:0019441	tryptophan catabolic process to kynurenine

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Molecular Function

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Biological Process

External links

PDB	RCSB:4m8d, PDBe:4m8d, PDBj:4m8d
PDBsum	4m8d
PubMed	24917679
UniProt	A0NLY7\|ISAHY_ROSAI Isatin hydrolase (Gene Name=SIAM614_09648)

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