Structure of PDB 1kbc Chain B Binding Site BS06

Receptor Information
>1kbc Chain B (length=164) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FMLTPGNPKWERTNLTYRIRNYTPQLSEAEVERAIKDAFELWSVASPLIF
TRISQGEADINIAFYQRDHGDNSPFDGPNGILAHAFQPGQGIGGDAHFDA
EETWTNTSANYNLFLVAAHEFGHSLGLAHSSDPGALMYPNYAFRETSNYS
LPQDDIDGIQAIYG
Ligand information
Ligand IDRIN
InChIInChI=1S/C12H24N2O/c13-11-9-7-5-3-1-2-4-6-8-10-14-12(11)15/h11H,1-10,13H2,(H,14,15)/t11-/m0/s1
InChIKeyCQZLEYBEPASILI-NSHDSACASA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1NCCCCCCCCCCC1N
CACTVS 3.341N[C@H]1CCCCCCCCCCNC1=O
OpenEye OEToolkits 1.5.0C1CCCCCNC(=O)C(CCCC1)N
CACTVS 3.341N[CH]1CCCCCCCCCCNC1=O
OpenEye OEToolkits 1.5.0C1CCCCCNC(=O)[C@H](CCCC1)N
FormulaC12 H24 N2 O
Name3-AMINO-AZACYCLOTRIDECAN-2-ONE
ChEMBL
DrugBankDB08476
ZINCZINC000005840837
PDB chain1kbc Chain B Residue 2 [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]
PDB1kbc 1.8-A crystal structure of the catalytic domain of human neutrophil collagenase (matrix metalloproteinase-8) complexed with a peptidomimetic hydroxamate primed-side inhibitor with a distinct selectivity profile.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		G158 L160 N218 Y219
Binding residue
(residue number reindexed from 1)		G80 L82 N140 Y141
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H197 E198 H201 H207
Catalytic site (residue number reindexed from 1) H119 E120 H123 H129
Enzyme Commision number 3.4.24.34: neutrophil collagenase.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0031012 extracellular matrix

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1kbc, PDBe:1kbc, PDBj:1kbc
PDBsum1kbc
PubMed9249047
UniProtP22894|MMP8_HUMAN Neutrophil collagenase (Gene Name=MMP8)

[Back to BioLiP]