Structure of PDB 5lgb Chain A Binding Site BS02
Receptor Information
>5lgb Chain A (length=456) Species:
10090
(Mus musculus) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
GPRVLVVGSGIAGLGAAQKLCSAAPHLRVLEATASAGGRIRSERCFGGVV
ELGAHWIHGPSQDNPVFQLAAEFGLLGEKIWSSSGTSVSLELMTEMARLF
YGLIERTREFLNESETPMASVGEFLKKEISQQVASWTDTRKRKLAILNTF
FNIECCVSGTHSMDLVALAPFGEYTVLDCILAGGYQGLTDRILASLPKDT
VAFDKPVKTIHWNGSFQEAAFPGETFPVLVECEDGARLPAHHVIVTVPLG
FLKEHQDTFFEPPLPAKKAEAIKKLGFGTNNKIFLEFEEPFWQFIQVVWE
DTSPLQDTALSLQDTWFKKLIGFLVQPHVLCGFIAGLESEFMETLSDEEV
LLSLTQVLRRVTGNPQLPAAKSVRRSQWHSAPYTRGSYSYVAVGSTGDDL
DLMAQPLPGLQVLFAGEATHRTFYSTTHGALLSGWREADRLVSLWDSQVE
QSRPRL
Ligand information
Ligand ID
MD2
InChI
InChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h5-6,13-14H,1-2,7-12H2
InChIKey
IKSQCMLJDHRWOA-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
C(=C\CNCCCCNC/C=C=C)=C
OpenEye OEToolkits 1.5.0
C=C=CCNCCCCNCC=C=C
CACTVS 3.341
[CH2]=[C]=[CH]CNCCCCNC[CH]=[C]=[CH2]
Formula
C12 H20 N2
Name
N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-DIAMINE;
MDL72527
ChEMBL
CHEMBL417844
DrugBank
DB04188
ZINC
ZINC000003874176
PDB chain
5lgb Chain A Residue 602 [
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
5lgb
The Structure of Murine N(1)-Acetylspermine Oxidase Reveals Molecular Details of Vertebrate Polyamine Catabolism.
Resolution
1.8 Å
Binding residue
(original residue number in PDB)
V187 F201 Y204 Y430 S473
Binding residue
(residue number reindexed from 1)
V157 F171 Y174 Y388 S425
Annotation score
1
Binding affinity
BindingDB: Ki=1700nM
Enzymatic activity
Catalytic site (original residue number in PDB)
H64
Catalytic site (residue number reindexed from 1)
H58
Enzyme Commision number
1.5.3.13
: N(1)-acetylpolyamine oxidase.
Gene Ontology
Molecular Function
GO:0016491
oxidoreductase activity
View graph for
Molecular Function
External links
PDB
RCSB:5lgb
,
PDBe:5lgb
,
PDBj:5lgb
PDBsum
5lgb
PubMed
28029774
UniProt
Q8C0L6
|PAOX_MOUSE Peroxisomal N(1)-acetyl-spermine/spermidine oxidase (Gene Name=Paox)
[
Back to BioLiP
]