Structure of PDB 3vwq Chain A Binding Site BS01

Receptor Information

>3vwq 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
ALARLGAIAAQLPDLEQRLEQTYTDAFLVLRGTEVVAEYYRAGFAPDDRH
LLMAVSKSLCGTVVGALVDEGRIDPAQPVTEYVPELAGSVYDGPSVLQVL
DMQISIDYNEDYVDPASEVQTHDRSAGWATRRHGDPADTYEFLTTLRGDG
STGEFQYCSANTDVLAWIVERVTGLRYVEALSTYLWAKLDADRDATITVD
TTGFGFANGGVSCTARDLARVGRMMLDGGVAPGGRVVSEDWVRRVLAGGS
HEAMTDKGFTNTFPDGSYTRQWWCTGNERGNVSGIGIHGQNLWLDPLTDS
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

3vwq Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	3vwq Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
Resolution	1.7 Å
Binding residue (original residue number in PDB)	M111 A112 D181 W186 Y215 F264 G344 I345
Binding residue (residue number reindexed from 1)	M103 A104 D173 W178 Y207 F256 G336 I337
Annotation score	5

Enzymatic activity

Enzyme Commision number

3.5.1.46: 6-aminohexanoate-oligomer exohydrolase.

External links

PDB	RCSB:3vwq, PDBe:3vwq, PDBj:3vwq
PDBsum	3vwq
PubMed
UniProt	P07061; P07062\|NYLB2_PAEUR 6-aminohexanoate-dimer hydrolase (Gene Name=nylB')

[Back to BioLiP]