PDB entry 5iwc

View 5iwc on RCSB PDB site
Description: Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 3 [4-(3-([1,1'-Biphenyl]-3-yl)ureido)-2-hydroxybenzoic acid]
Class: lyase
Keywords: Mycobacterium tuberculosis, Cysteine biosynthesis, sulphur metabolism, inhibitor, lyase, transferase
Deposited on 2016-03-22, released 2016-08-17
The last revision prior to the SCOPe 2.08 freeze date was dated 2016-08-17, with a file datestamp of 2016-08-12.
Experiment type: XRAY
Resolution: 2.7 Å
R-factor: N/A
AEROSPACI score: 0.17 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: O-phosphoserine sulfhydrylase
    Species: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) [TaxId:83332]
    Gene: cysM, Rv1336, MTCY130.21
    Database cross-references and differences (RAF-indexed):
    • Uniprot P9WP53
      • engineered mutation (4)
    Domains in SCOPe 2.08: d5iwca_
  • Chain 'B':
    Compound: O-phosphoserine sulfhydrylase
    Species: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) [TaxId:83332]
    Gene: cysM, Rv1336, MTCY130.21
    Database cross-references and differences (RAF-indexed):
    • Uniprot P9WP53
      • engineered mutation (4)
    Domains in SCOPe 2.08: d5iwcb_
  • Heterogens: PLP, 6EQ, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5iwcA (A:)
gshmarydsllqalgntplvglqrlsprwddgrdgphvrlwakledrnptgsikdrpavr
mieqaeadgllrpgatileptsgntgislamaarlkgyrlicvmpentsverrqllelyg
aqiifsaaeggsntavatakelaatnpswvmlyqygnpantdshycgtgpelladlpeit
hfvaglgttgtlmgtgrflrehvanvkivaaeprygegvyalrnmdegfvpelydpeilt
arysvgavdavrrtrelvhtegifagistgavlhaalgvgagalaageradialvvadag
wkylstgayagslddaetalegqlwa

    Sequence, based on observed residues (ATOM records): (download) 
    >5iwcA (A:)
arydsllqalgntplvglqrlsprwddgrdgphvrlwakledrnptgsikdrpavrmieq
aeadgllrpgatileptsgntgislamaarlkgyrlicvmpentsverrqllelygaqii
fssntavatakelaatnpswvmlyqygnpantdshycgtgpelladlpeithfvaglgtt
gtlmgtgrflrehvanvkivaaeprypelydpeiltarysvgavdavrrtrelvhtegif
agistgavlhaalgvgagalaageradialvvadagwkylstgayagslddaetale

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5iwcB (B:)
gshmarydsllqalgntplvglqrlsprwddgrdgphvrlwakledrnptgsikdrpavr
mieqaeadgllrpgatileptsgntgislamaarlkgyrlicvmpentsverrqllelyg
aqiifsaaeggsntavatakelaatnpswvmlyqygnpantdshycgtgpelladlpeit
hfvaglgttgtlmgtgrflrehvanvkivaaeprygegvyalrnmdegfvpelydpeilt
arysvgavdavrrtrelvhtegifagistgavlhaalgvgagalaageradialvvadag
wkylstgayagslddaetalegqlwa

    Sequence, based on observed residues (ATOM records): (download) 
    >5iwcB (B:)
arydsllqalgntplvglqrlsprwddgrdgphvrlwakledrnptgsikdrpavrmieq
aeadgllrpgatileptsgntgislamaarlkgyrlicvmpentsverrqllelygaqii
tavatakelaatnpswvmlyqygnpantdshycgtgpelladlpeithfvaglgttgtlm
gtgrflrehvanvkivaaeprygfvpelydpeiltarysvgavdavrrtrelvhtegifa
gistgavlhaalgvgagalaageradialvvadagwkylstgayagslddaetal