Structure of PDB 1a7c Chain A Binding Site BS03

Receptor Information

>1a7c Chain A (length=364) Species: 9606 (Homo sapiens)

HHPPSYVAHLASDFGVRVFQQVAQASKDRNVVFSPYGVASVLAMLQLTTG
GETQQQIQAAMGFKIDDKGMAPALRHLYKELMGPWNKDEISTTDAIFVQR
DLKLVQGFMPHFFRLFRSTVKQVDFSEVERARFIINDWVKTHTKGMISNL
LGKGAVDQLTRLVLVNALYFNGQWKTPFPDSSTHRRLFHKSDGSTVSVPM
MAQTNKFNYTEFTTPDGHYYDILELPYHGDTLSMFIAAPYEKEVPLSALT
NILSAQLISHWKGNMTRLPRLLVLPKFSLETEVDLRKPLENLGMTDMFRQ
FQADFTSLSDQEPLHVAQALQKVKIEVNESGTAPEEIIMDRPFLFVVRHN
PTGTVLFMGQVMEP

Ligand information

• Ligand ID: RIP
• InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m1/s1
• InChIKey: SRBFZHDQGSBBOR-TXICZTDVSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C(C(C(C(O1)O)O)O)O
  OpenEye OEToolkits 1.5.0: C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O
  CACTVS 3.341: O[CH]1CO[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: O[C@@H]1CO[C@@H](O)[C@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)COC(O)C1O
• Formula: C5 H10 O5
• Name: beta-D-ribopyranose;
  beta-D-ribose;
  D-ribose;
  ribose;
  RIBOSE(PYRANOSE FORM)
• ChEMBL: CHEMBL1159662
• DrugBank: DB04286
• ZINC: ZINC000004097544
• PDB chain: 1a7c Chain D Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1a7c Interfering with the inhibitory mechanism of serpins: crystal structure of a complex formed between cleaved plasminogen activator inhibitor type 1 and a reactive-centre loop peptide
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): F213 T214
• Binding residue (residue number reindexed from 1): F212 T213
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0002020 protease binding
• GO:0004867 serine-type endopeptidase inhibitor activity
• GO:0005102 signaling receptor binding
• GO:0005515 protein binding

Biological Process

• GO:0001525 angiogenesis
• GO:0010466 negative regulation of peptidase activity
• GO:0010469 regulation of signaling receptor activity
• GO:0010757 negative regulation of plasminogen activation
• GO:0010951 negative regulation of endopeptidase activity
• GO:0014912 negative regulation of smooth muscle cell migration
• GO:0030194 positive regulation of blood coagulation
• GO:0030195 negative regulation of blood coagulation
• GO:0030336 negative regulation of cell migration
• GO:0032757 positive regulation of interleukin-8 production
• GO:0033629 negative regulation of cell adhesion mediated by integrin
• GO:0035491 positive regulation of leukotriene production involved in inflammatory response
• GO:0042730 fibrinolysis
• GO:0045766 positive regulation of angiogenesis
• GO:0048260 positive regulation of receptor-mediated endocytosis
• GO:0050729 positive regulation of inflammatory response
• GO:0050829 defense response to Gram-negative bacterium
• GO:0051918 negative regulation of fibrinolysis
• GO:0061044 negative regulation of vascular wound healing
• GO:0061045 negative regulation of wound healing
• GO:0071222 cellular response to lipopolysaccharide
• GO:0090026 positive regulation of monocyte chemotaxis
• GO:0090399 replicative senescence
• GO:0097187 dentinogenesis
• GO:1901331 positive regulation of odontoblast differentiation
• GO:1902042 negative regulation of extrinsic apoptotic signaling pathway via death domain receptors
• GO:2000098 negative regulation of smooth muscle cell-matrix adhesion
• GO:2000352 negative regulation of endothelial cell apoptotic process

Cellular Component

• GO:0005576 extracellular region
• GO:0005615 extracellular space
• GO:0005886 plasma membrane
• GO:0031093 platelet alpha granule lumen
• GO:0062023 collagen-containing extracellular matrix
• GO:0070062 extracellular exosome
• GO:0097180 serine protease inhibitor complex
• GO:1904090 peptidase inhibitor complex

External links

• PDB: RCSB:1a7c, PDBe:1a7c, PDBj:1a7c
• PDBsum: 1a7c
• PubMed: 9634700
• UniProt: P05121|PAI1_HUMAN Plasminogen activator inhibitor 1 (Gene Name=SERPINE1)