PDB entry 7km8

View 7km8 on RCSB PDB site
Description: Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001914, orthorhombic crystal from
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: SSGCID, SDDC, inhibitor, Structural Genomics, Seattle Structural Genomics Center for Infectious Disease, OXIDOREDUCTASE, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2020-11-02, released 2021-07-07
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-07-07, with a file datestamp of 2021-07-02.
Experiment type: XRAY
Resolution: 1.55 Å
R-factor: N/A
AEROSPACI score: 0.55 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: dihydrofolate reductase
    Species: Mycobacterium ulcerans (strain Agy99) [TaxId:362242]
    Gene: dfrA, MUL_2179
    Database cross-references and differences (RAF-indexed):
    • Uniprot A0PQG8 (8-172)
      • expression tag (0-7)
      • engineered mutation (96)
      • engineered mutation (103)
    Domains in SCOPe 2.08: d7km8a_
  • Chain 'B':
    Compound: dihydrofolate reductase
    Species: Mycobacterium ulcerans (strain Agy99) [TaxId:362242]
    Gene: dfrA, MUL_2179
    Database cross-references and differences (RAF-indexed):
    • Uniprot A0PQG8 (8-172)
      • expression tag (0-7)
      • engineered mutation (96)
      • engineered mutation (103)
    Domains in SCOPe 2.08: d7km8b_
  • Heterogens: WPD, NAP, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >7km8A (A:)
mahhhhhhmtsvgliwaqstsgvigrdggipwrlpedlahfkrltmghtvvmgrrtwdsl
paahrplpgrrnvvvtrqtglvahgaqvvgsleqalspaepdaatwviggaqiyalalpl
anrcevtevdvdlppededalapvldqtwagtsgewlvsrsglryrmhsyrrl

    Sequence, based on observed residues (ATOM records): (download) 
    >7km8A (A:)
tsvgliwaqstsgvigrdggipwrlpedlahfkrltmghtvvmgrrtwdslpaahrplpg
rrnvvvtrqtglvahgaqvvgsleqalsatwviggaqiyalalplanrcevtevdvdlpp
ededalapvldqtwagtsgewlvsrsglryrmhsyrrl

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >7km8B (B:)
mahhhhhhmtsvgliwaqstsgvigrdggipwrlpedlahfkrltmghtvvmgrrtwdsl
paahrplpgrrnvvvtrqtglvahgaqvvgsleqalspaepdaatwviggaqiyalalpl
anrcevtevdvdlppededalapvldqtwagtsgewlvsrsglryrmhsyrrl

    Sequence, based on observed residues (ATOM records): (download) 
    >7km8B (B:)
tsvgliwaqstsgvigrdggipwrlpedlahfkrltmghtvvmgrrtwdslpaahrplpg
rrnvvvtrqtglvahgaqvvgsleqalsatwviggaqiyalalplanrcevtevdvdlpp
ededalapvldqtwagtsgewlvsrsglryrmhsyrrl