Structure of PDB 3e8r Chain A

Receptor sequence
>3e8rA (length=251) Species: 9606 (Homo sapiens) [Search protein sequence]
PDPMKNTCKLLVVADHRFYRYMGRGEESTTTNYLIELIDRVDDIYRNTAW
DNAGFKGYGIQIEQIRILKSPQEVKPGEKHYNMAKSYPNEEKDAWDVKML
LEQFSFDIAEEASKVCLAHLFTYQDFDMGTLGLAYGGSPHGGVCPKAYYS
PVGKKNIYLNSGLTSTKNYGKTILTKEADLVTTHELGHNFGAEHDPDGLA
ECAPNEDQGGKYVMYPIAGDHENNKMFSQCSKQSIYKTIESKAQECFQER
S
3D structure
PDB3e8r Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket.
ChainA
Resolution1.9 Å
3D
structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Enzyme Commision number 3.4.24.86: ADAM 17 endopeptidase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 ZN A H405 H409 H415 H184 H188 H194
BS02 615 A T347 L348 G349 E398 L401 H405 E406 H409 H415 Y433 V434 P437 A439 T130 L131 G132 E177 L180 H184 E185 H188 H194 Y212 V213 P216 A218 PDBbind-CN: -logKd/Ki=9.74,Ki=0.18nM
BindingDB: Ki=0.180000nM
BS03 INN A M345 G346 T347 Y390 H405 E406 H409 H415 P437 I438 A439 M128 G129 T130 Y169 H184 E185 H188 H194 P216 I217 A218
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3e8r, PDBe:3e8r, PDBj:3e8r
PDBsum3e8r
PubMed18835710
UniProtP78536|ADA17_HUMAN Disintegrin and metalloproteinase domain-containing protein 17 (Gene Name=ADAM17)

[Back to BioLiP]