PDB entry 2wd9

View 2wd9 on RCSB PDB site
Description: crystal structure of human acyl-coa synthetase medium-chain family member 2a (l64p mutation) in complex with ibuprofen
Class: ligase
Keywords: nucleotide-binding, fatty acid metabolism, transit peptide, lipid metabolism, nucleotide binding, mitochondrion, metal-binding, ligase activity, medium-chain fatty acid, fatty acid metabolic process, ligase, magnesium, ATP-binding
Deposited on 2009-03-21, released 2009-04-21
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-04-03, with a file datestamp of 2019-03-29.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: N/A
AEROSPACI score: 0.19 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: acyl-coenzyme a synthetase acsm2a, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • PDB 2WD9
      • engineered mutation (56)
    • Uniprot Q08AH3
    Domains in SCOPe 2.08: d2wd9a_
  • Chain 'B':
    Compound: acyl-coenzyme a synthetase acsm2a, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • PDB 2WD9
      • engineered mutation (56)
    • Uniprot Q08AH3
    Domains in SCOPe 2.08: d2wd9b_
  • Chain 'C':
    Compound: acyl-coenzyme a synthetase acsm2a, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • PDB 2WD9
      • engineered mutation (56)
    • Uniprot Q08AH3
    Domains in SCOPe 2.08: d2wd9c_
  • Heterogens: IBP, MG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >2wd9A (A:)
mghhhhhhssgvdlgtenlyfqsmslqwghqevpakfnfasdvldhwadmekagkrppsp
alwwvngkgkelmwnfrelsensqqaanvlsgacglqrgdrvavvlprvpewwlvilgci
raglifmpgtiqmkstdilyrlqmskakaivagdeviqevdtvasecpslrikllvseks
cdgwlnfkkllneastthhcvetgsqeasaiyftsgtsglpkmaehsysslglkakmdag
wtglqasdimwtisdtgwilnilcslmepwalgactfvhllpkfdplvilktlssypiks
mmgapivyrmllqqdlssykfphlqncvtvgesllpetlenwraqtgldiresygqtetg
ltcmvsktmkikpgymgtaascydvqiiddkgnvlppgtegdigirvkpirpigifsgyv
dnpdktaanirgdfwllgdrgikdedgyfqfmgraddiinssgyrigpsevenalmehpa
vvetavisspdpvrgevvkafvvlasqflshdpeqltkelqqhvksvtapykyprkiefv
lnlpktvtgkiqraklrdkewkmsgkara

    Sequence, based on observed residues (ATOM records): (download) 
    >2wd9A (A:)
hqevpakfnfasdvldhwadmekagkrppspalwwvngkgkelmwnfrelsensqqaanv
lsgacglqrgdrvavvlprvpewwlvilgciraglifmpgtiqmkstdilyrlqmskaka
ivagdeviqevdtvasecpslrikllvsekscdgwlnfkkllneastthhcvetgsqeas
aiyftsgtsglpkmaehsysslglkakmdagwtglqasdimwtisdtgwilnilcslmep
walgactfvhllpkfdplvilktlssypiksmmgapivyrmllqqdlssykfphlqncvt
vgesllpetlenwraqtgldiresygqtetgltcmvsktmkikpgymgtaascydvqiid
dkgnvlppgtegdigirvkpirpigifsgyvdnpdktaanirgdfwllgdrgikdedgyf
qfmgraddiinssgyrigpsevenalmehpavvetavisspdpvrgevvkafvvlasqfl
shdpeqltkelqqhvksvtapykyprkiefvlnlpktvtgkiqraklrdkewk

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >2wd9B (B:)
mghhhhhhssgvdlgtenlyfqsmslqwghqevpakfnfasdvldhwadmekagkrppsp
alwwvngkgkelmwnfrelsensqqaanvlsgacglqrgdrvavvlprvpewwlvilgci
raglifmpgtiqmkstdilyrlqmskakaivagdeviqevdtvasecpslrikllvseks
cdgwlnfkkllneastthhcvetgsqeasaiyftsgtsglpkmaehsysslglkakmdag
wtglqasdimwtisdtgwilnilcslmepwalgactfvhllpkfdplvilktlssypiks
mmgapivyrmllqqdlssykfphlqncvtvgesllpetlenwraqtgldiresygqtetg
ltcmvsktmkikpgymgtaascydvqiiddkgnvlppgtegdigirvkpirpigifsgyv
dnpdktaanirgdfwllgdrgikdedgyfqfmgraddiinssgyrigpsevenalmehpa
vvetavisspdpvrgevvkafvvlasqflshdpeqltkelqqhvksvtapykyprkiefv
lnlpktvtgkiqraklrdkewkmsgkara

    Sequence, based on observed residues (ATOM records): (download) 
    >2wd9B (B:)
hqevpakfnfasdvldhwadmekagkrppspalwwvngkgkelmwnfrelsensqqaanv
lsgacglqrgdrvavvlprvpewwlvilgciraglifmpgtiqmkstdilyrlqmskaka
ivagdeviqevdtvasecpslrikllvsekscdgwlnfkkllneastthhcvetgsqeas
aiyftsgtsglpkmaehsysslglkakmdagwtglqasdimwtisdtgwilnilcslmep
walgactfvhllpkfdplvilktlssypiksmmgapivyrmllqqdlssykfphlqncvt
vgesllpetlenwraqtgldiresygqtetgltcmvsktmkikpgymgtaascydvqiid
dkgnvlppgtegdigirvkpirpigifsgyvdnpdktaanirgdfwllgdrgikdedgyf
qfmgraddiinssgyrigpsevenalmehpavvetavisspdpvrgevvkafvvlasqfl
shdpeqltkelqqhvksvtapykyprkiefvlnlpktvtgkiqraklrdkewk

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >2wd9C (C:)
mghhhhhhssgvdlgtenlyfqsmslqwghqevpakfnfasdvldhwadmekagkrppsp
alwwvngkgkelmwnfrelsensqqaanvlsgacglqrgdrvavvlprvpewwlvilgci
raglifmpgtiqmkstdilyrlqmskakaivagdeviqevdtvasecpslrikllvseks
cdgwlnfkkllneastthhcvetgsqeasaiyftsgtsglpkmaehsysslglkakmdag
wtglqasdimwtisdtgwilnilcslmepwalgactfvhllpkfdplvilktlssypiks
mmgapivyrmllqqdlssykfphlqncvtvgesllpetlenwraqtgldiresygqtetg
ltcmvsktmkikpgymgtaascydvqiiddkgnvlppgtegdigirvkpirpigifsgyv
dnpdktaanirgdfwllgdrgikdedgyfqfmgraddiinssgyrigpsevenalmehpa
vvetavisspdpvrgevvkafvvlasqflshdpeqltkelqqhvksvtapykyprkiefv
lnlpktvtgkiqraklrdkewkmsgkara

    Sequence, based on observed residues (ATOM records): (download) 
    >2wd9C (C:)
qwghqevpakfnfasdvldhwadmekagkrppspalwwvngkgkelmwnfrelsensqqa
anvlsgacglqrgdrvavvlprvpewwlvilgciraglifmpgtiqmkstdilyrlqmsk
akaivagdeviqevdtvasecpslrikllvsekscdgwlnfkkllneastthhcvetgsq
easaiyftsgtsglpkmaehsysslglkakmdagwtglqasdimwtisdtgwilnilcsl
mepwalgactfvhllpkfdplvilktlssypiksmmgapivyrmllqqdlssykfphlqn
cvtvgesllpetlenwraqtgldiresygqtetgltcmvsktmkikpgymgtaascydvq
iiddkgnvlppgtegdigirvkpirpigifsgyvdnpdktaanirgdfwllgdrgikded
gyfqfmgraddiinssgyrigpsevenalmehpavvetavisspdpvrgevvkafvvlas
qflshdpeqltkelqqhvksvtapykyprkiefvlnlpktvtgkiqraklrdkewk