PDB entry 5li6

View 5li6 on RCSB PDB site
Description: Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with N-isopropyl-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-2-(4-nitrophenyl)acetamide
Class: oxidoreductase
Keywords: monoxygenase, cytochrome P450, OXIDOREDUCATSE, OXIDOREDUCTASE
Deposited on 2016-07-14, released 2016-12-21
The last revision prior to the SCOPe 2.06 freeze date was dated 2016-12-21, with a file datestamp of 2016-12-16.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: N/A
AEROSPACI score: 0.33 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Putative cytochrome P450 126
    Species: Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) [TaxId:83331]
    Gene: cyp126, MT0802
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d5li6a_
  • Chain 'B':
    Compound: Putative cytochrome P450 126
    Species: Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) [TaxId:83331]
    Gene: cyp126, MT0802
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d5li6b_
  • Heterogens: HEM, 6XF, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5li6A (A:)
    mttaaglsgidltdldnfadgfphhlfaihrreapvywhrptehtpdgegfwsvatyaet
    levlrdpvtyssvtggqrrfggtvlqdlpvagqvlnmmddprhtrirrlvssgltprmir
    rveddlrrrarglldgvepgapfdfvveiaaelpmqmicillgvpetdrhwlfeavepgf
    dfrgsrratmprlnvedagsrlytyaleliagkraepaddmlsvvanatiddpdapalsd
    aelylffhllfsagaettrnsiaggllalaenpdqlqtlrsdfellptaieeivrwtsps
    pskrrtasravslggqpieagqkvvvwegsanrdpsvfdradefditrkpnphlgfgqgv
    hyclganlarlelrvlfeellsrfgsvrvvepaewtrsnrhtgirhlvvelrgg
    

    Sequence, based on observed residues (ATOM records): (download)
    >5li6A (A:)
    lsgidltdldnfadgfphhlfaihrreapvywhrptehtpdgegfwsvatyaetlevlrd
    pvtyssvtggqrrfggtvlqdlpvagqvlnmmddprhtrirrlvssgltprmirrveddl
    rrrarglldgvepgapfdfvveiaaelpmqmicillgvpetdrhwlfeavdagsrlytya
    leliagkraepaddmlsvvanalsdaelylffhllfsagaettrnsiaggllalaenpdq
    lqtlrsdfellptaieeivrwtspspskrrtasravslggqpieagqkvvvwegsanrdp
    svfdradefditrkpnphlgfgqgvhyclganlarlelrvlfeellsrfgsvrvvepaew
    trsnrhtgirhlvvelr
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5li6B (B:)
    mttaaglsgidltdldnfadgfphhlfaihrreapvywhrptehtpdgegfwsvatyaet
    levlrdpvtyssvtggqrrfggtvlqdlpvagqvlnmmddprhtrirrlvssgltprmir
    rveddlrrrarglldgvepgapfdfvveiaaelpmqmicillgvpetdrhwlfeavepgf
    dfrgsrratmprlnvedagsrlytyaleliagkraepaddmlsvvanatiddpdapalsd
    aelylffhllfsagaettrnsiaggllalaenpdqlqtlrsdfellptaieeivrwtsps
    pskrrtasravslggqpieagqkvvvwegsanrdpsvfdradefditrkpnphlgfgqgv
    hyclganlarlelrvlfeellsrfgsvrvvepaewtrsnrhtgirhlvvelrgg
    

    Sequence, based on observed residues (ATOM records): (download)
    >5li6B (B:)
    lsgidltdldnfadgfphhlfaihrreapvywhrptehtpdgegfwsvatyaetlevlrd
    pvtyssvtggqrrfggtvlqdlpvagqvlnmmddprhtrirrlvssgltprmirrveddl
    rrrarglldgvepgapfdfvveiaaelpmqmicillgvpetdrhwlfeavagsrlytyal
    eliagkraepaddmlsvvanalsdaelylffhllfsagaettrnsiaggllalaenpdql
    qtlrsdfellptaieeivrwtspspskrrtasravslggqpieagqkvvvwegsanrdps
    vfdradefditrkpnphlgfgqgvhyclganlarlelrvlfeellsrfgsvrvvepaewt
    rsnrhtgirhlvvelr