Structure of PDB 3mlc Chain B Binding Site BS01

Receptor Information

>3mlc Chain B (length=129) Species: 1728 (coryneform bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PLIRIDLTSDRSREQRRAIADAVHDALVEVLAIPARDRFQILTAHDPSDI
IAEDAGLGFQRSPSVVIIHVFTQAGRTIETKQRVFAAITESLAPIGVAGS
DVFIAITENAPHDWSFGFGSAQYVTGELA

Ligand information

InChI=1S/C3H3ClO3/c4-2(5)1-3(6)7/h1H2,(H,6,7)

UUOFSRVHZJTWDE-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.0	C(C(=O)O)C(=O)Cl
CACTVS 3.370	OC(=O)CC(Cl)=O
ACDLabs 12.01	ClC(=O)CC(=O)O

Formula

C3 H3 Cl O3

Name

3-chloro-3-oxopropanoic acid

PDB chain

3mlc Chain B Residue 150 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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PDB	3mlc Kinetic, Mutational, and Structural Analysis of Malonate Semialdehyde Decarboxylase from Coryneform Bacterium Strain FG41: Mechanistic Implications for the Decarboxylase and Hydratase Activities.
Resolution	2.224 Å
Binding residue (original residue number in PDB)	P1 D37 T72 Q73 W114 Y123
Binding residue (residue number reindexed from 1)	P1 D37 T72 Q73 W114 Y123
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:3mlc, PDBe:3mlc, PDBj:3mlc
PDBsum	3mlc
PubMed	23781927
UniProt	F2Z288

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