Structure of PDB 4bvw Chain A Binding Site BS01

Receptor Information

>4bvw Chain A (length=79) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DCYHGDGQSYRGSFSTTVTGRTCQSWSSMTPHWHQRTTEYYPNGGLTRNY
CRNPDAEIRPWCYTMDPSVRWEYCALTQC

Ligand information

InChI=1S/C10H11NO2/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8/h1-2,5,11H,3-4,6H2,(H,12,13)

QEMYLDYQDFRTRT-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385	OC(=O)c1ccc2CNCCc2c1
OpenEye OEToolkits 1.9.2	c1cc2c(cc1C(=O)O)CCNC2
ACDLabs 12.01	O=C(O)c1ccc2c(c1)CCNC2

Formula

C10 H11 N O2

Name

1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid

ZINC000016698348

PDB chain

4bvw Chain A Residue 1080 [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]

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

PDB	4bvw Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
Resolution	2.0 Å
Binding residue (original residue number in PDB)	D54 E56 W60 Y62 R69 W70
Binding residue (residue number reindexed from 1)	D55 E57 W61 Y63 R70 W71
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:4bvw, PDBe:4bvw, PDBj:4bvw
PDBsum	4bvw
PubMed
UniProt	P08519\|APOA_HUMAN Apolipoprotein(a) (Gene Name=LPA)

[Back to BioLiP]