PDB entry 6sma

View 6sma on RCSB PDB site
Description: Crystal structure of Human Neutrophil Elastase (HNE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC249
Class: hydrolase
Keywords: Serine Hydrolases, Human Neutrophil Elastase, Inhibitor, 3-Oxo-beta-Sultams, Sulfonylation, HYDROLASE
Deposited on 2019-08-21, released 2020-04-08
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-07-29, with a file datestamp of 2020-06-29.
Experiment type: XRAY
Resolution: 2.59 Å
R-factor: N/A
AEROSPACI score: 0.29 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Neutrophil elastase
    Species: Homo sapiens [TaxId:9606]
    Gene: ELANE, ELA2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6smaa_
  • Chain 'B':
    Compound: Neutrophil elastase
    Species: Homo sapiens [TaxId:9606]
    Gene: ELANE, ELA2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6smab_
  • Chain 'C':
    Compound: Neutrophil elastase
    Species: Homo sapiens [TaxId:9606]
    Gene: ELANE, ELA2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6smac_
  • Heterogens: LKK, BR, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >6smaA (A:)
ivggrrarphawpfmvslqlrgghfcgatliapnfvmsaahcvanvnvravrvvlgahnl
srreptrqvfavqrifengydpvnllndivilqlngsatinanvqvaqlpaqgrrlgngv
qclamgwgllgrnrgiasvlqelnvtvvtslcrrsnvctlvrgrqagvcfgdsgsplvcn
glihgiasfvrggcasglypdafapvaqfvnwidsiiq

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6smaB (B:)
ivggrrarphawpfmvslqlrgghfcgatliapnfvmsaahcvanvnvravrvvlgahnl
srreptrqvfavqrifengydpvnllndivilqlngsatinanvqvaqlpaqgrrlgngv
qclamgwgllgrnrgiasvlqelnvtvvtslcrrsnvctlvrgrqagvcfgdsgsplvcn
glihgiasfvrggcasglypdafapvaqfvnwidsiiq

    Sequence, based on observed residues (ATOM records): (download) 
    >6smaB (B:)
ivggrrarphawpfmvslqlrgghfcgatliapnfvmsaahcvanvnvravrvvlgahnl
srreptrqvfavqrifengydpvnllndivilqlngsatinanvqvaqlpaqgrrlgngv
qclamgwgllgiasvlqelnvtvvtslcrrsnvctlvrgrqagvcfgdsgsplvcnglih
giasfvrggcasglypdafapvaqfvnwidsiiq

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >6smaC (C:)
ivggrrarphawpfmvslqlrgghfcgatliapnfvmsaahcvanvnvravrvvlgahnl
srreptrqvfavqrifengydpvnllndivilqlngsatinanvqvaqlpaqgrrlgngv
qclamgwgllgrnrgiasvlqelnvtvvtslcrrsnvctlvrgrqagvcfgdsgsplvcn
glihgiasfvrggcasglypdafapvaqfvnwidsiiq