Structure of PDB 6nds Chain A Binding Site BS02

Receptor Information

>6nds Chain A (length=305) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MTAFSDLLVVQEVSPRDGLQIEPTWVPTDKKIDLINQLSTMGFSRIEAGS
FVSPKAIPNLRDGEEVFTGITRHKDIIYVGLIPNLKGALRAVEANANELN
LVLSASQTHNLANMRMTKAQSFAGFTEIVEQLQGKTQFNGTVATTFGCPF
EGKISEREVFSLVEHYLKLGIHNITLADTTGMANPVQVKRIVSHVLSLIS
PEQLTLHFHNTRGLGLTNVLAAYEVGARRFDAALGGLGGCPFAPGASGNI
CTEDLVNMCEEIGIPTTIDLDALIQLSRTLPALLGHDTPSQLAKAGRNTD
LHPIP

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

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

Formula

Name

ZINC ION

PDB chain

6nds Chain A Residue 507 [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	6nds Structure of an HMG-CoA lyase from Acenitobacter baumannii in complex with coenzyme A and 3-methylmalate
Resolution	1.65 Å
Binding residue (original residue number in PDB)	D17 H207 H209
Binding residue (residue number reindexed from 1)	D17 H207 H209
Annotation score	1

Enzymatic activity

Enzyme Commision number

4.1.3.4: hydroxymethylglutaryl-CoA lyase.

Gene Ontology

	Molecular Function
GO:0003824	catalytic activity
GO:0004419	hydroxymethylglutaryl-CoA lyase activity
GO:0016829	lyase activity
GO:0016833	oxo-acid-lyase activity
GO:0046872	metal ion binding

	Biological Process
GO:0006552	L-leucine catabolic process
GO:0046951	ketone body biosynthetic process

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Molecular Function

View graph for
Biological Process

External links

PDB	RCSB:6nds, PDBe:6nds, PDBj:6nds
PDBsum	6nds
PubMed
UniProt	A0A0D5YK08

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