PDB entry 7k13

View 7k13 on RCSB PDB site
Description: ACMSD in complex with diflunisal derivative 14
Class: lyase
Keywords: FDA-approved drugs, NAD+, neuropsychiatric disorders, decarboxylase, LYASE
Deposited on 2020-09-07, released 2021-01-13
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-01-27, with a file datestamp of 2021-01-22.
Experiment type: XRAY
Resolution: 1.83 Å
R-factor: N/A
AEROSPACI score: 0.44 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase
    Species: Pseudomonas fluorescens [TaxId:294]
    Gene: nbaD
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d7k13a_
  • Chain 'B':
    Compound: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase
    Species: Pseudomonas fluorescens [TaxId:294]
    Gene: nbaD
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d7k13b_
  • Chain 'C':
    Compound: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase
    Species: Pseudomonas fluorescens [TaxId:294]
    Gene: nbaD
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d7k13c_
  • Heterogens: VR7, ZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >7k13A (A:)
mghhhhhhhhhhssghiegrhmkkpridmhshffpriseqeaakfdanhapwlqvsakgd
tgsimmgknnfrpvyqalwdpafrieemdaqgvdvqvtcatpvmfgytweankaaqwaer
mndfalefaahnpqrikvlaqvplqdldlackeasravaaghlgiqignhlgdkdlddat
leaflthcanedipilvhpwdmmggqrmkkwmlpwlvampaetqlailslilsgaferip
kslkicfghgggsfafllgrvdnawrhrdivredcprppseyvdrffvdsavfnpgalel
lvsvmgedrvmlgsdypfplgeqkigglvlssnlgesakdkiisgnaskffninv

    Sequence, based on observed residues (ATOM records): (download) 
    >7k13A (A:)
pridmhshffpriseqeaakfdanhapwlqvsakgdtgsimmgknnfrpvyqalwdpafr
ieemdaqgvdvqvtcatpvmfgytweankaaqwaermndfalefaahnpqrikvlaqvpl
qdldlackeasravaaghlgiqignhlgdkdlddatleaflthcanedipilvhpwdmmg
gqrmkkwmlpwlvampaetqlailslilsgaferipkslkicfghgggsfafllgrvdna
wrhrdivredcprppseyvdrffvdsavfnpgalellvsvmgedrvmlgsdypfplgeqk
igglvlssnlgesakdkiisgnaskffnin

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >7k13B (B:)
mghhhhhhhhhhssghiegrhmkkpridmhshffpriseqeaakfdanhapwlqvsakgd
tgsimmgknnfrpvyqalwdpafrieemdaqgvdvqvtcatpvmfgytweankaaqwaer
mndfalefaahnpqrikvlaqvplqdldlackeasravaaghlgiqignhlgdkdlddat
leaflthcanedipilvhpwdmmggqrmkkwmlpwlvampaetqlailslilsgaferip
kslkicfghgggsfafllgrvdnawrhrdivredcprppseyvdrffvdsavfnpgalel
lvsvmgedrvmlgsdypfplgeqkigglvlssnlgesakdkiisgnaskffninv

    Sequence, based on observed residues (ATOM records): (download) 
    >7k13B (B:)
kpridmhshffpriseqeaakfdanhapwlqvsakgdtgsimmgknnfrpvyqalwdpaf
rieemdaqgvdvqvtcatpvmfgytweankaaqwaermndfalefaahnpqrikvlaqvp
lqdldlackeasravaaghlgiqignhlgdkdlddatleaflthcanedipilvhpwdmm
ggqrmkkwmlpwlvampaetqlailslilsgaferipkslkicfghgggsfafllgrvdn
awrhrdivredcprppseyvdrffvdsavfnpgalellvsvmgedrvmlgsdypfplgeq
kigglvlssnlgesakdkiisgnaskffnin

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >7k13C (C:)
mghhhhhhhhhhssghiegrhmkkpridmhshffpriseqeaakfdanhapwlqvsakgd
tgsimmgknnfrpvyqalwdpafrieemdaqgvdvqvtcatpvmfgytweankaaqwaer
mndfalefaahnpqrikvlaqvplqdldlackeasravaaghlgiqignhlgdkdlddat
leaflthcanedipilvhpwdmmggqrmkkwmlpwlvampaetqlailslilsgaferip
kslkicfghgggsfafllgrvdnawrhrdivredcprppseyvdrffvdsavfnpgalel
lvsvmgedrvmlgsdypfplgeqkigglvlssnlgesakdkiisgnaskffninv

    Sequence, based on observed residues (ATOM records): (download) 
    >7k13C (C:)
kpridmhshffpriseqeaakfdanhapwlqvsakgdtgsimmgknnfrpvyqalwdpaf
rieemdaqgvdvqvtcatpvmfgytweankaaqwaermndfalefaahnpqrikvlaqvp
lqdldlackeasravaaghlgiqignhlgdkdlddatleaflthcanedipilvhpwdmm
ggqrmkkwmlpwlvampaetqlailslilsgaferipkslkicfghgggsfafllgrvdn
awrhrdivredcprppseyvdrffvdsavfnpgalellvsvmgedrvmlgsdypfplgeq
kigglvlssnlgesakdkiisgnaskffnin