PDB entry 6s7w

View 6s7w on RCSB PDB site
Description: Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-(Azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(quinolin-4-yl)acetamide
Class: lyase
Keywords: Fumarate hydratase, Fumarase, lyase
Deposited on 2019-07-07, released 2019-09-25
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-12-25, with a file datestamp of 2019-12-20.
Experiment type: XRAY
Resolution: 1.44 Å
R-factor: N/A
AEROSPACI score: 0.51 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: fumarate hydratase class II
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: fum, fumC, DSI35_09545, ERS007663_02818, ERS007679_02635, ERS007688_02307, ERS007722_03256, ERS023446_00966, ERS024276_01230, ERS027646_00759, ERS027653_00188, ERS027654_00515, ERS027659_00384, ERS027661_00671, ERS027666_02275, ERS124361_03161, SAMEA2682864_03539, SAMEA2683035_02636
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6s7wa_
  • Chain 'B':
    Compound: fumarate hydratase class II
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: fum, fumC, DSI35_09545, ERS007663_02818, ERS007679_02635, ERS007688_02307, ERS007722_03256, ERS023446_00966, ERS024276_01230, ERS027646_00759, ERS027653_00188, ERS027654_00515, ERS027659_00384, ERS027661_00671, ERS027666_02275, ERS124361_03161, SAMEA2682864_03539, SAMEA2683035_02636
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6s7wb_
  • Chain 'C':
    Compound: fumarate hydratase class II
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: fum, fumC, DSI35_09545, ERS007663_02818, ERS007679_02635, ERS007688_02307, ERS007722_03256, ERS023446_00966, ERS024276_01230, ERS027646_00759, ERS027653_00188, ERS027654_00515, ERS027659_00384, ERS027661_00671, ERS027666_02275, ERS124361_03161, SAMEA2682864_03539, SAMEA2683035_02636
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6s7wc_
  • Chain 'D':
    Compound: fumarate hydratase class II
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: fum, fumC, DSI35_09545, ERS007663_02818, ERS007679_02635, ERS007688_02307, ERS007722_03256, ERS023446_00966, ERS024276_01230, ERS027646_00759, ERS027653_00188, ERS027654_00515, ERS027659_00384, ERS027661_00671, ERS027666_02275, ERS124361_03161, SAMEA2682864_03539, SAMEA2683035_02636
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6s7wd_
  • Heterogens: KZT, FMT, MG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6s7wA (A:)
mavdadsanyriehdtmgevrvpakalwraqtqravenfpisgrglertqiralgllkga
caqvnsdlgllapekadaiiaaaaeiadgqhddqfpidvfqtgsgtssnmntneviasia
akggvtlhpnddvnmsqssndtfptathiaateaavahlipalqqlhdalaakaldwhtv
vksgrthlmdavpvtlgqefsgyarqieagiervraclprlgelaiggtavgtglnapdd
fgvrvvavlvaqtglselrtaansfeaqaardglveasgalrtiavsltkiandirwmgs
gpltglaeiqlpdlqpgssimpgkvnpvlpeavtqvaaqvigndaaiawggangafelnv
yipmmarnilesfklltnvsrlfaqrciagltanvehlrrlaesspsivtplnsaigyee
aaavakqalkerktirqtvidrgligdrlsiedldrrldvlamakaeqldsdrl

    Sequence, based on observed residues (ATOM records): (download) 
    >6s7wA (A:)
yriehdtmgevrvpakalwraqtqravenfpisgrglertqiralgllkgacaqvnsdlg
llapekadaiiaaaaeiadgqhddqfpidvfqtgsgtssnmntneviasiaakggvtlhp
nddvnmsqssndtfptathiaateaavahlipalqqlhdalaakaldwhtvvksgrthlm
davpvtlgqefsgyarqieagiervraclprlgelaiggtavgtglnapddfgvrvvavl
vaqtglselrtaansfeaqaardglveasgalrtiavsltkiandirwmgsgpltglaei
qlpdlgkvnpvlpeavtqvaaqvigndaaiawggangafelnvyipmmarnilesfkllt
nvsrlfaqrciagltanvehlrrlaesspsivtplnsaigyeeaaavakqalkerktirq
tvidrgligdrlsiedldrrldvlamakae

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6s7wB (B:)
mavdadsanyriehdtmgevrvpakalwraqtqravenfpisgrglertqiralgllkga
caqvnsdlgllapekadaiiaaaaeiadgqhddqfpidvfqtgsgtssnmntneviasia
akggvtlhpnddvnmsqssndtfptathiaateaavahlipalqqlhdalaakaldwhtv
vksgrthlmdavpvtlgqefsgyarqieagiervraclprlgelaiggtavgtglnapdd
fgvrvvavlvaqtglselrtaansfeaqaardglveasgalrtiavsltkiandirwmgs
gpltglaeiqlpdlqpgssimpgkvnpvlpeavtqvaaqvigndaaiawggangafelnv
yipmmarnilesfklltnvsrlfaqrciagltanvehlrrlaesspsivtplnsaigyee
aaavakqalkerktirqtvidrgligdrlsiedldrrldvlamakaeqldsdrl

    Sequence, based on observed residues (ATOM records): (download) 
    >6s7wB (B:)
yriehdtmgevrvpakalwraqtqravenfpisgrglertqiralgllkgacaqvnsdlg
llapekadaiiaaaaeiadgqhddqfpidvfqtgsgtssnmntneviasiaakggvtlhp
nddvnmsqssndtfptathiaateaavahlipalqqlhdalaakaldwhtvvksgrthlm
davpvtlgqefsgyarqieagiervraclprlgelaiggtavgtglnapddfgvrvvavl
vaqtglselrtaansfeaqaardglveasgalrtiavsltkiandirwmgsgpltglaei
qlpdlqpgssimpgkvnpvlpeavtqvaaqvigndaaiawggangafelnvyipmmarni
lesfklltnvsrlfaqrciagltanvehlrrlaesspsivtplnsaigyeeaaavakqal
kerktirqtvidrgligdrlsiedldrrldvlamakae

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >6s7wC (C:)
mavdadsanyriehdtmgevrvpakalwraqtqravenfpisgrglertqiralgllkga
caqvnsdlgllapekadaiiaaaaeiadgqhddqfpidvfqtgsgtssnmntneviasia
akggvtlhpnddvnmsqssndtfptathiaateaavahlipalqqlhdalaakaldwhtv
vksgrthlmdavpvtlgqefsgyarqieagiervraclprlgelaiggtavgtglnapdd
fgvrvvavlvaqtglselrtaansfeaqaardglveasgalrtiavsltkiandirwmgs
gpltglaeiqlpdlqpgssimpgkvnpvlpeavtqvaaqvigndaaiawggangafelnv
yipmmarnilesfklltnvsrlfaqrciagltanvehlrrlaesspsivtplnsaigyee
aaavakqalkerktirqtvidrgligdrlsiedldrrldvlamakaeqldsdrl

    Sequence, based on observed residues (ATOM records): (download) 
    >6s7wC (C:)
yriehdtmgevrvpakalwraqtqravenfpisgrglertqiralgllkgacaqvnsdlg
llapekadaiiaaaaeiadgqhddqfpidvfqtgsgtssnmntneviasiaakggvtlhp
nddvnmsqssndtfptathiaateaavahlipalqqlhdalaakaldwhtvvksgrthlm
davpvtlgqefsgyarqieagiervraclprlgelaiggtavgtglnapddfgvrvvavl
vaqtglselrtaansfeaqaardglveasgalrtiavsltkiandirwmgsgpltglaei
qlpdlpgkvnpvlpeavtqvaaqvigndaaiawggangafelnvyipmmarnilesfkll
tnvsrlfaqrciagltanvehlrrlaesspsivtplnsaigyeeaaavakqalkerktir
qtvidrgligdrlsiedldrrldvlamakae

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >6s7wD (D:)
mavdadsanyriehdtmgevrvpakalwraqtqravenfpisgrglertqiralgllkga
caqvnsdlgllapekadaiiaaaaeiadgqhddqfpidvfqtgsgtssnmntneviasia
akggvtlhpnddvnmsqssndtfptathiaateaavahlipalqqlhdalaakaldwhtv
vksgrthlmdavpvtlgqefsgyarqieagiervraclprlgelaiggtavgtglnapdd
fgvrvvavlvaqtglselrtaansfeaqaardglveasgalrtiavsltkiandirwmgs
gpltglaeiqlpdlqpgssimpgkvnpvlpeavtqvaaqvigndaaiawggangafelnv
yipmmarnilesfklltnvsrlfaqrciagltanvehlrrlaesspsivtplnsaigyee
aaavakqalkerktirqtvidrgligdrlsiedldrrldvlamakaeqldsdrl

    Sequence, based on observed residues (ATOM records): (download) 
    >6s7wD (D:)
yriehdtmgevrvpakalwraqtqravenfpisgrglertqiralgllkgacaqvnsdlg
llapekadaiiaaaaeiadgqhddqfpidvfqtgsgtssnmntneviasiaakggvtlhp
nddvnmsqssndtfptathiaateaavahlipalqqlhdalaakaldwhtvvksgrthlm
davpvtlgqefsgyarqieagiervraclprlgelaiggtavgtglnapddfgvrvvavl
vaqtglselrtaansfeaqaardglveasgalrtiavsltkiandirwmgsgpltglaei
qlpdlkvnpvlpeavtqvaaqvigndaaiawggangafelnvyipmmarnilesfklltn
vsrlfaqrciagltanvehlrrlaesspsivtplnsaigyeeaaavakqalkerktirqt
vidrgligdrlsiedldrrldvlamaka