Structure of PDB 1dbk Chain H Binding Site BS01

Receptor Information

>1dbk Chain H (length=219) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

QIQLVQSGPELKKPGETVKISCKASGYAFTNYGVNWVKEAPGKELKWMGW
INIYTGEPTYVDDFKGRFAFSLETSASTAYLEINNLKNEDTATYFCTRGD
YVNWYFDVWGAGTTVTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKG
YFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSPRPSETVT
CNVAHPASSTKVDKKIVPR

Ligand information

Ligand ID

ANO

InChI

InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14+,15+,16+,18+,19+/m1/s1

InChIKey

RAJWOBJTTGJROA-QJISAEMRSA-N

SMILES

Software	SMILES
CACTVS 3.341	C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O
ACDLabs 10.04	O=C3CC4CCC2C1C(C(=O)CC1)(CCC2C4(C)CC3)C
OpenEye OEToolkits 1.5.0	C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C
OpenEye OEToolkits 1.5.0	CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4=O)C
CACTVS 3.341	C[C]12CCC(=O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O

Formula

C19 H28 O2

Name

5-BETA-ANDROSTANE-3,17-DIONE

PDB chain

1dbk Chain H Residue 229 [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	1dbk Molecular basis of crossreactivity and the limits of antibody-antigen complementarity.
Resolution	3.0 Å
Binding residue (original residue number in PDB)	N35 W50 G95 Y97
Binding residue (residue number reindexed from 1)	N35 W50 G99 Y101
Annotation score	1
Binding affinity	PDBbind-CN: -logKd/Ki=8.10,IC50=8nM

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:1dbk, PDBe:1dbk, PDBj:1dbk
PDBsum	1dbk
PubMed	8413674
UniProt	P01868\|IGHG1_MOUSE Ig gamma-1 chain C region secreted form (Gene Name=Ighg1)

[Back to BioLiP]