PDB entry 4mmd

View 4mmd on RCSB PDB site
Description: Crystal structure of LeuBAT (delta6 mutant) in complex with (S)-duloxetine
Class: transport protein
Keywords: transporter, TRANSPORT PROTEIN
Deposited on 2013-09-08, released 2013-10-16
The last revision prior to the SCOPe 2.06 freeze date was dated 2013-11-20, with a file datestamp of 2013-11-15.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: 0.214
AEROSPACI score: 0.29 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Transporter
    Species: Aquifex aeolicus [TaxId:224324]
    Gene: snf, aq_2077
    Database cross-references and differences (RAF-indexed):
    • Uniprot O67854
      • engineered mutation (20)
      • engineered mutation (23)
      • engineered mutation (253)
      • engineered mutation (255)
      • engineered mutation (264)
      • engineered mutation (358)
    Domains in SCOPe 2.06: d4mmda_
  • Chain 'B':
    Compound: Transporter
    Species: Aquifex aeolicus [TaxId:224324]
    Gene: snf, aq_2077
    Database cross-references and differences (RAF-indexed):
    • Uniprot O67854
      • engineered mutation (20)
      • engineered mutation (23)
      • engineered mutation (253)
      • engineered mutation (255)
      • engineered mutation (264)
      • engineered mutation (358)
    Domains in SCOPe 2.06: d4mmdb_
  • Heterogens: NA, 29E, BOG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4mmdA (A:)
mevkrehwatrlglilamagyavdlgnflrfpvqaaengggafmipyiiafllvgiplmw
iewamgryggaqghgttpaifyllwrnrfakilgvfglwiplvvaiyyvyieswtlgfai
kflvglvpepppnatdpdsilrpfkeflysyigvpkgdepilkpslfayivflitmfinv
silirgiskgierfakiamptlfilavflvirvflletpngtaadglnflwtpdfeklkd
pgvwiaavgqiffslglgfgaiitfasyvrkdqdivlsgltaatlnekaevilggsisip
aavaffgvanavaiakagafnlgfitlpaifsqtaggtflgflwffllffagltssiagm
qpmiafledelklsrkhavlwtaaivffsahlvmflnksldemdfwagtigvvffgltel
iiffwifgadkaweeinrggiikvpriyyyvmryitpaflavllvvwareyipkimeeth
wtvwitrfyiiglflfltflvflaerrrnhesagtlvpr

    Sequence, based on observed residues (ATOM records): (download) 
    >4mmdA (A:)
rehwatrlglilamagyavdlgnflrfpvqaaengggafmipyiiafllvgiplmwiewa
mgryggaqghgttpaifyllwrnrfakilgvfglwiplvvaiyyvyieswtlgfaikflv
glvpepptdpdsilrpfkeflysyigvpkgdepilkpslfayivflitmfinvsilirgi
skgierfakiamptlfilavflvirvflletpngtaadglnflwtpdfeklkdpgvwiaa
vgqiffslglgfgaiitfasyvrkdqdivlsgltaatlnekaevilggsisipaavaffg
vanavaiakagafnlgfitlpaifsqtaggtflgflwffllffagltssiagmqpmiafl
edelklsrkhavlwtaaivffsahlvmflnksldemdfwagtigvvffglteliiffwif
gadkaweeinrggiikvpriyyyvmryitpaflavllvvwareyipkimeethwtvwitr
fyiiglflfltflvflaerrrnhe

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4mmdB (B:)
mevkrehwatrlglilamagyavdlgnflrfpvqaaengggafmipyiiafllvgiplmw
iewamgryggaqghgttpaifyllwrnrfakilgvfglwiplvvaiyyvyieswtlgfai
kflvglvpepppnatdpdsilrpfkeflysyigvpkgdepilkpslfayivflitmfinv
silirgiskgierfakiamptlfilavflvirvflletpngtaadglnflwtpdfeklkd
pgvwiaavgqiffslglgfgaiitfasyvrkdqdivlsgltaatlnekaevilggsisip
aavaffgvanavaiakagafnlgfitlpaifsqtaggtflgflwffllffagltssiagm
qpmiafledelklsrkhavlwtaaivffsahlvmflnksldemdfwagtigvvffgltel
iiffwifgadkaweeinrggiikvpriyyyvmryitpaflavllvvwareyipkimeeth
wtvwitrfyiiglflfltflvflaerrrnhesagtlvpr

    Sequence, based on observed residues (ATOM records): (download) 
    >4mmdB (B:)
rehwatrlglilamagyavdlgnflrfpvqaaengggafmipyiiafllvgiplmwiewa
mgryggaqghgttpaifyllwrnrfakilgvfglwiplvvaiyyvyieswtlgfaikflv
glvpepptdpdsilrpfkeflysyigvpkgdepilkpslfayivflitmfinvsilirgi
skgierfakiamptlfilavflvirvflletpngtaadglnflwtpdfeklkdpgvwiaa
vgqiffslglgfgaiitfasyvrkdqdivlsgltaatlnekaevilggsisipaavaffg
vanavaiakagafnlgfitlpaifsqtaggtflgflwffllffagltssiagmqpmiafl
edelklsrkhavlwtaaivffsahlvmflnksldemdfwagtigvvffglteliiffwif
gadkaweeinrggiikvpriyyyvmryitpaflavllvvwareyipkimeethwtvwitr
fyiiglflfltflvflaerrrnhe