Structure of PDB 2zm9 Chain A Binding Site BS01

Receptor Information

>2zm9 Chain A (length=384) Species: 37931 (Paenarthrobacter ureafaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

STGQHPARYPGAAAGEPTLDSWQEPPHNRWAFAHLGEMVPSAAVSRRPGH
ALVRLGAIAAQLPDLEQRLEQTYTDAFLVLRGTEVVAEYYRAGFAPDDRH
LLMAVSKSLCGTVVGVLVDEGRIDPAQPVTEYVPELAGSVYDGPSVLQVL
DMQISIDYNEDYVDPASEVQTHGRSAGWSTRRHGDPADTYEFLTTLRGDG
STGEFQYCSANTDVLAWIVERVTGLRYVEALSTYLWAKLDADRDATITVD
TTGFGCAHGGVSCTARDLARVGRMMLDGGVAPRGRVVSEDWVRRVLAGGS
HEAMTDKGFTNTFPDGSYTRQWWCTGNERANVSGIGIHGQNLWLDPLTDS
VIVKLSSWPDPYTEHWHRLQNGILLDVSRALDAV

Ligand information

Ligand ID

ACA

InChI

InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)

InChIKey

SLXKOJJOQWFEFD-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=C(O)CCCCCN
OpenEye OEToolkits 1.5.0	C(CCC(=O)O)CCN
CACTVS 3.341	NCCCCCC(O)=O

Formula

C6 H13 N O2

Name

6-AMINOHEXANOIC ACID;
AMINOCAPROIC ACID

PDB chain

2zm9 Chain A Residue 501 [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	2zm9 Two alternative modes for optimizing nylon-6 byproduct hydrolytic activity from a carboxylesterase with a beta-lactamase fold: X-ray crystallographic analysis of directly evolved 6-aminohexanoate-dimer hydrolase.
Resolution	1.5 Å
Binding residue (original residue number in PDB)	A112 Y170 Y215 W331 I345 Y370 H375
Binding residue (residue number reindexed from 1)	A104 Y162 Y207 W323 I337 Y362 H367
Annotation score	5

Enzymatic activity

Enzyme Commision number

3.5.1.46: 6-aminohexanoate-oligomer exohydrolase.

External links

PDB	RCSB:2zm9, PDBe:2zm9, PDBj:2zm9
PDBsum	2zm9
PubMed	19521995
UniProt	P07061; P07062\|NYLB2_PAEUR 6-aminohexanoate-dimer hydrolase (Gene Name=nylB')

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