Structure of PDB 8snn Chain A Binding Site BS01

Receptor Information
>8snn Chain A (length=227) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VCGNSRVDEGEECDPGIMYLNNDTCCNSDCTLKEGVQCSDRNSPCCKNCQ
FETAQKKCQEAINATCKGVSYCTGNSSECPPPGNAEDDTVCLDLGKCKDG
KCIPFCEREQQLESCACNETDNSCKVCCRDLSGRCVPYVDAEQKNLFLRK
GKPCTVGFCDMNGKCEKRVQDVIERFWDFIDQLSINTFGKFLADNIVGSV
LVFSLIFWIPFSILVHCVDKKLDKQYE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8snn Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure 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]
PDB8snn Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 1
Resolution2.32 Å
Binding residue
(original residue number in PDB)		V477 N480 R482 D484 E487 D490
Binding residue
(residue number reindexed from 1)		V1 N4 R6 D8 E11 D14
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.86: ADAM 17 endopeptidase.
External links
PDB RCSB:8snn, PDBe:8snn, PDBj:8snn
PDBsum8snn
PubMed
UniProtP78536|ADA17_HUMAN Disintegrin and metalloproteinase domain-containing protein 17 (Gene Name=ADAM17)

[Back to BioLiP]