Structure of PDB 3uvc Chain B Binding Site BS01

Receptor Information

>3uvc Chain B (length=158) Species: 9606 (Homo sapiens)

GPVWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTG
MADILVVFARGAHGDFHAFDGKGGILAHAFGPGSGIGGDAHFDEDEFWTT
HSGGTNLFLTAVHAIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSADDI
RGIQSLYG

Ligand information

• Ligand ID: 0D2
• InChI: InChI=1S/C18H14N4O4/c23-13-17(21-15(25)19-13,11-7-3-1-4-8-11)18(12-9-5-2-6-10-12)14(24)20-16(26)22-18/h1-10H,(H2,19,21,23,25)(H2,20,22,24,26)/t17-,18+
• InChIKey: ZRUGFCSNTLNZEL-HDICACEKSA-N
• SMILES:
  CACTVS 3.370: O=C1NC(=O)[C@](N1)(c2ccccc2)[C@]3(NC(=O)NC3=O)c4ccccc4
  OpenEye OEToolkits 1.7.6: c1ccc(cc1)[C@@]2(C(=O)NC(=O)N2)[C@@]3(C(=O)NC(=O)N3)c4ccccc4
  ACDLabs 12.01: O=C2NC(=O)NC2(c1ccccc1)C3(C(=O)NC(=O)N3)c4ccccc4
  OpenEye OEToolkits 1.7.6: c1ccc(cc1)C2(C(=O)NC(=O)N2)C3(C(=O)NC(=O)N3)c4ccccc4
  CACTVS 3.370: O=C1NC(=O)[C](N1)(c2ccccc2)[C]3(NC(=O)NC3=O)c4ccccc4
• Formula: C18 H14 N4 O4
• Name: (4R,4'S)-4,4'-diphenyl-4,4'-biimidazolidine-2,2',5,5'-tetrone
• PDB chain: 3uvc Chain A Residue 314

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3uvc Characterization of fragments interacting with MMP-12
• Resolution: 1.3 Å
• Binding residue (original residue number in PDB): S229 S230 P238
• Binding residue (residue number reindexed from 1): S124 S125 P133
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H218 A219 H222 H228
• Catalytic site (residue number reindexed from 1): H113 A114 H117 H123
• Enzyme Commision number: 3.4.24.65: macrophage elastase.

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

External links

• PDB: RCSB:3uvc, PDBe:3uvc, PDBj:3uvc
• PDBsum: 3uvc
• UniProt: P39900|MMP12_HUMAN Macrophage metalloelastase (Gene Name=MMP12)