PDB entry 6u1e

View 6u1e on RCSB PDB site
Description: Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Rb+
Class: ligase
Keywords: ATP-grasp domain, ATP binding, metal binding, LIGASE
Deposited on 2019-08-15, released 2020-05-06
The last revision prior to the SCOPe 2.07 freeze date was dated 2020-05-06, with a file datestamp of 2020-05-01.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: N/A
AEROSPACI score: 0.29 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: d-alanine--d-alanine ligase
    Species: Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) [TaxId:300852]
    Gene: ddl, TTHA1587
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5SHZ3 (2-320)
      • expression tag (1)
      • expression tag (321-324)
    Domains in SCOPe 2.07: d6u1ea1, d6u1ea2, d6u1ea3, d6u1ea4
  • Chain 'B':
    Compound: d-alanine--d-alanine ligase
    Species: Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) [TaxId:300852]
    Gene: ddl, TTHA1587
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5SHZ3 (2-320)
      • initiating methionine (0)
      • expression tag (1)
      • expression tag (321-325)
    Domains in SCOPe 2.07: d6u1eb1, d6u1eb2, d6u1eb3
  • Heterogens: DAL, MG, RB, ATP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6u1eA (A:)
memrvlliaggvspehevsllsaegvlrhipfptdlaviaqdgrwllgekaltaleakaa
pegehpfppplswerydvvfpllhgrfgedgtvqgflellgkpyvgagvaasalcmdkdl
skrvlaqagvpvvpwvavrkgeppvvpfdppffvkpantgssvgisrverfqdleaalal
afrydekavvekalspvrelevgvlgnvfgeaspvgevryeapfydyetkytpgraelli
papldpgtqetvqelalkaykvlgvrgmarvdfflaegelylnelntipgftptsmyprl
feaggvaypellrrlvelalthhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >6u1eA (A:)
emrvlliaggvspehevsllsaegvlrhipfptdlaviaqdgrwllgekaltaleakaap
egehpfppplswerydvvfpllhgrfgedgtvqgflellgkpyvgagvaasalcmdkdls
krvlaqagvpvvpwvavrkgeppvvpfdppffvkpantgssvgisrverfqdleaalala
frydekavvekalspvrelevgvlgnvfgeaspvgevryeapfydyetkytpgraellip
apldpgtqetvqelalkaykvlgvrgmarvdfflaegelylnelntipgftptsmyprlf
eaggvaypellrrlvelalthhhh

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6u1eB (B:)
memrvlliaggvspehevsllsaegvlrhipfptdlaviaqdgrwllgekaltaleakaa
pegehpfppplswerydvvfpllhgrfgedgtvqgflellgkpyvgagvaasalcmdkdl
skrvlaqagvpvvpwvavrkgeppvvpfdppffvkpantgssvgisrverfqdleaalal
afrydekavvekalspvrelevgvlgnvfgeaspvgevryeapfydyetkytpgraelli
papldpgtqetvqelalkaykvlgvrgmarvdfflaegelylnelntipgftptsmyprl
feaggvaypellrrlvelalthhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >6u1eB (B:)
memrvlliaggvspehevsllsaegvlrhipfptdlaviaqdgrwllgekaltaleakaa
pegehpfppplswerydvvfpllhgrfgedgtvqgflellgkpyvgagvaasalcmdkdl
skrvlaqagvpvvpwvavrkgeppvvpfdppffvkpantgssvgisrverfqdleaalal
afrydekavvekalspvrelevgvlgnvfgeaspvgevryeapfydyetkytpgraelli
papldpgtqetvqelalkaykvlgvrgmarvdfflaegelylnelntipgftptsmyprl
feaggvaypellrrlvelalthhhhh