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1EAT

NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 5. DESIGN, SYNTHESIS, AND X-RAY CRYSTALLOGRAPHY OF A SERIES OF ORALLY ACTIVE 5-AMINO-PYRIMIDIN-6-ONE-CONTAINING TRIFLUOROMETHYLKETONES

Functional Information from GO Data
ChainGOidnamespacecontents
A0004252molecular_functionserine-type endopeptidase activity
A0005515molecular_functionprotein binding
A0005576cellular_componentextracellular region
A0005615cellular_componentextracellular space
A0006508biological_processproteolysis
A0008233molecular_functionpeptidase activity
A0008236molecular_functionserine-type peptidase activity
A0016787molecular_functionhydrolase activity
A0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA A 4
ChainResidue
AHOH318
AGLU70
AASN72
AGLN75
AASN77
AGLU80

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 2
ChainResidue
AGLY127
AARG145
AARG230
ASER232
AALA233

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 3
ChainResidue
AARG36
AGLY36
ATHR64
AALA99
ASER174
ATHR175
ALYS177

site_idAC4
Number of Residues15
DetailsBINDING SITE FOR RESIDUE TFI A 1
ChainResidue
ACYS42
AHIS57
AARG61
AGLU62
ACYS191
AGLN192
AGLY193
AASP194
ASER195
ATHR213
ASER214
APHE215
AVAL216
AARG217
AHOH347

site_idCAT
Number of Residues4
Details
ChainResidue
AHIS57
AASP102
ASER195
ASER214

Functional Information from PROSITE/UniProt
site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. MTAAHC
ChainResidueDetails
AMET53-CYS58

site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. SGcqGDSGGPLH
ChainResidueDetails
ASER189-HIS200

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Charge relay system => ECO:0000269|PubMed:4578945, ECO:0000269|PubMed:5415110
ChainResidueDetails
AHIS57

site_idSWS_FT_FI2
Number of Residues2
DetailsACT_SITE: Charge relay system => ECO:0000269|PubMed:5415110
ChainResidueDetails
AASP102
ASER195

site_idSWS_FT_FI3
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:7656008, ECO:0007744|PDB:1ELA, ECO:0007744|PDB:1ELB, ECO:0007744|PDB:1ELC
ChainResidueDetails
AGLU70
AASN72
AGLN75
AGLU80

218853

PDB entries from 2024-04-24

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