PDB entry 6vb9

View 6vb9 on RCSB PDB site
Description: Covalent adduct of cis-2,3-epoxysuccinic acid with Isocitrate Lyase-1 from Mycobacterium tuberculosis
Class: lyase
Keywords: enzyme, covalent inhibitor, substrate analog, Structural Genomics, PSI-Biology, TB Structural Genomics Consortium, TBSGC, LYASE
Deposited on 2019-12-18, released 2020-12-30
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-03-31, with a file datestamp of 2021-03-26.
Experiment type: XRAY
Resolution: 1.88 Å
R-factor: N/A
AEROSPACI score: 0.42 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: isocitrate lyase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: aceA_1, aceA, ERS007703_00218, ERS023446_00716, ERS027651_01707, EZX46_15490, FDK60_05445, FDK62_09180, SAMEA2682864_01056, SAMEA2683035_00941
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6vb9a_
  • Chain 'B':
    Compound: isocitrate lyase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: aceA_1, aceA, ERS007703_00218, ERS023446_00716, ERS027651_01707, EZX46_15490, FDK60_05445, FDK62_09180, SAMEA2682864_01056, SAMEA2683035_00941
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6vb9b_
  • Chain 'C':
    Compound: isocitrate lyase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: aceA_1, aceA, ERS007703_00218, ERS023446_00716, ERS027651_01707, EZX46_15490, FDK60_05445, FDK62_09180, SAMEA2682864_01056, SAMEA2683035_00941
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6vb9c_
  • Chain 'D':
    Compound: isocitrate lyase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: aceA_1, aceA, ERS007703_00218, ERS023446_00716, ERS027651_01707, EZX46_15490, FDK60_05445, FDK62_09180, SAMEA2682864_01056, SAMEA2683035_00941
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6vb9d_
  • Heterogens: QVA, MG, OXD, ACY, PEG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6vb9A (A:)
gshmsvvgtpksaeqiqqewdtnprwkdvtrtysaedvvalqgsvveehtlarrgaevlw
eqlhdlewvnalgaltgnmavqqvraglkaiylsgwqvagdanlsghtypdqslypansv
pqvvrrinnalqradqiakiegdtsvenwlapivadgeagfggalnvyelqkaliaagva
gshwedqlasekkxghlggkvliptqqhirtltsarlaadvadvptvviartdaeaatli
tsdvderdqpfitgertregfyrtkngiepciarakayapfadliwmetgtpdleaarqf
seavkaeypdqmlayncspsfnwkkhlddatiakfqkelaamgfkfqfitlagfhalnys
mfdlaygyaqnqmsayvelqerefaaeergytatkhqrevgagyfdriattvdpnsstta
ltgsteegqfh

    Sequence, based on observed residues (ATOM records): (download) 
    >6vb9A (A:)
msvvgtpksaeqiqqewdtnprwkdvtrtysaedvvalqgsvveehtlarrgaevlweql
hdlewvnalgaltgnmavqqvraglkaiylsgwqvagdanlsghtypdqslypansvpqv
vrrinnalqradqiakiegdtsvenwlapivadgeagfggalnvyelqkaliaagvagsh
wedqlasekkxghlggkvliptqqhirtltsarlaadvadvptvviartdaeaatlitsd
vderdqpfitgertregfyrtkngiepciarakayapfadliwmetgtpdleaarqfsea
vkaeypdqmlayncspsfnwkkhlddatiakfqkelaamgfkfqfitlagfhalnysmfd
laygyaqnqmsayvelqerefaaeergytatkhqrevgagyfdriattvdpnssttaltg
steegqf

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6vb9B (B:)
gshmsvvgtpksaeqiqqewdtnprwkdvtrtysaedvvalqgsvveehtlarrgaevlw
eqlhdlewvnalgaltgnmavqqvraglkaiylsgwqvagdanlsghtypdqslypansv
pqvvrrinnalqradqiakiegdtsvenwlapivadgeagfggalnvyelqkaliaagva
gshwedqlasekkxghlggkvliptqqhirtltsarlaadvadvptvviartdaeaatli
tsdvderdqpfitgertregfyrtkngiepciarakayapfadliwmetgtpdleaarqf
seavkaeypdqmlayncspsfnwkkhlddatiakfqkelaamgfkfqfitlagfhalnys
mfdlaygyaqnqmsayvelqerefaaeergytatkhqrevgagyfdriattvdpnsstta
ltgsteegqfh

    Sequence, based on observed residues (ATOM records): (download) 
    >6vb9B (B:)
msvvgtpksaeqiqqewdtnprwkdvtrtysaedvvalqgsvveehtlarrgaevlweql
hdlewvnalgaltgnmavqqvraglkaiylsgwqvagdanlsghtypdqslypansvpqv
vrrinnalqradqiakiegdtsvenwlapivadgeagfggalnvyelqkaliaagvagsh
wedqlasekkxghlggkvliptqqhirtltsarlaadvadvptvviartdaeaatlitsd
vderdqpfitgertregfyrtkngiepciarakayapfadliwmetgtpdleaarqfsea
vkaeypdqmlayncspsfnwkkhlddatiakfqkelaamgfkfqfitlagfhalnysmfd
laygyaqnqmsayvelqerefaaeergytatkhqrevgagyfdriattvdpnssttaltg
steegqf

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >6vb9C (C:)
gshmsvvgtpksaeqiqqewdtnprwkdvtrtysaedvvalqgsvveehtlarrgaevlw
eqlhdlewvnalgaltgnmavqqvraglkaiylsgwqvagdanlsghtypdqslypansv
pqvvrrinnalqradqiakiegdtsvenwlapivadgeagfggalnvyelqkaliaagva
gshwedqlasekkxghlggkvliptqqhirtltsarlaadvadvptvviartdaeaatli
tsdvderdqpfitgertregfyrtkngiepciarakayapfadliwmetgtpdleaarqf
seavkaeypdqmlayncspsfnwkkhlddatiakfqkelaamgfkfqfitlagfhalnys
mfdlaygyaqnqmsayvelqerefaaeergytatkhqrevgagyfdriattvdpnsstta
ltgsteegqfh

    Sequence, based on observed residues (ATOM records): (download) 
    >6vb9C (C:)
msvvgtpksaeqiqqewdtnprwkdvtrtysaedvvalqgsvveehtlarrgaevlweql
hdlewvnalgaltgnmavqqvraglkaiylsgwqvagdanlsghtypdqslypansvpqv
vrrinnalqradqiakiegdtsvenwlapivadgeagfggalnvyelqkaliaagvagsh
wedqlasekkxghlggkvliptqqhirtltsarlaadvadvptvviartdaeaatlitsd
vderdqpfitgertregfyrtkngiepciarakayapfadliwmetgtpdleaarqfsea
vkaeypdqmlayncspsfnwkkhlddatiakfqkelaamgfkfqfitlagfhalnysmfd
laygyaqnqmsayvelqerefaaeergytatkhqrevgagyfdriattvdpnssttaltg
steegqf

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >6vb9D (D:)
gshmsvvgtpksaeqiqqewdtnprwkdvtrtysaedvvalqgsvveehtlarrgaevlw
eqlhdlewvnalgaltgnmavqqvraglkaiylsgwqvagdanlsghtypdqslypansv
pqvvrrinnalqradqiakiegdtsvenwlapivadgeagfggalnvyelqkaliaagva
gshwedqlasekkxghlggkvliptqqhirtltsarlaadvadvptvviartdaeaatli
tsdvderdqpfitgertregfyrtkngiepciarakayapfadliwmetgtpdleaarqf
seavkaeypdqmlayncspsfnwkkhlddatiakfqkelaamgfkfqfitlagfhalnys
mfdlaygyaqnqmsayvelqerefaaeergytatkhqrevgagyfdriattvdpnsstta
ltgsteegqfh

    Sequence, based on observed residues (ATOM records): (download) 
    >6vb9D (D:)
msvvgtpksaeqiqqewdtnprwkdvtrtysaedvvalqgsvveehtlarrgaevlweql
hdlewvnalgaltgnmavqqvraglkaiylsgwqvagdanlsghtypdqslypansvpqv
vrrinnalqradqiakiegdtsvenwlapivadgeagfggalnvyelqkaliaagvagsh
wedqlasekkxghlggkvliptqqhirtltsarlaadvadvptvviartdaeaatlitsd
vderdqpfitgertregfyrtkngiepciarakayapfadliwmetgtpdleaarqfsea
vkaeypdqmlayncspsfnwkkhlddatiakfqkelaamgfkfqfitlagfhalnysmfd
laygyaqnqmsayvelqerefaaeergytatkhqrevgagyfdriattvdpnssttaltg
steegqf