PDB entry 6tgw

View 6tgw on RCSB PDB site
Description: Crystal structure of human Aldehyde dehydrogenase 1A3 in complex with a selective inhibitor
Class: oxidoreductase
Keywords: ALDH1A3, aldehyde dehydrogenase ALDH inhibitor Cancer stem cell, glioblastoma mesenchymal stem cell stem cell, OXIDOREDUCTASE
Deposited on 2019-11-18, released 2021-06-02
The last revision prior to the SCOPe 2.07 freeze date was dated 2021-06-02, with a file datestamp of 2021-05-28.
Experiment type: XRAY
Resolution: 2.8 Å
R-factor: N/A
AEROSPACI score: 0.22 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Aldehyde dehydrogenase family 1 member A3
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH1A3, ALDH6
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6tgwa_
  • Chain 'B':
    Compound: Aldehyde dehydrogenase family 1 member A3
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH1A3, ALDH6
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6tgwb_
  • Chain 'C':
    Compound: Aldehyde dehydrogenase family 1 member A3
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH1A3, ALDH6
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6tgwc_
  • Chain 'D':
    Compound: Aldehyde dehydrogenase family 1 member A3
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH1A3, ALDH6
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6tgwd_
  • Heterogens: N98, NAD, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6tgwA (A:)
matangavengqpdrkppalprpirnlevkftkifinnewhesksgkkfatcnpstreqi
ceveegdkpdvdkaveaaqvafqrgspwrrldalsrgrllhqladlverdratlaaletm
dtgkpflhaffidlegcirtlryfagwadkiqgktiptddnvvcftrhepigvcgaitpw
nfpllmlvwklapalccgntmvlkpaeqtpltalylgslikeagfppgvvnivpgfgptv
gaaisshpqinkiaftgstevgklvkeaasrsnlkrvtlelggknpcivcadadldlave
cahqgvffnqgqcctaasrvfveeqvysefvrrsveyakkrpvgdpfdvkteqgpqidqk
qfdkileliesgkkegaklecggsamedkglfikptvfsevtdnmriakeeifgpvqpil
kfksieevikranstdygltaavftknldkalklasalesgtvwincynalyaqapfggf
kmsgngrelgeyalaeytevktvtiklgdknp

    Sequence, based on observed residues (ATOM records): (download) 
    >6tgwA (A:)
levkftkifinnewhesksgkkfatcnpstreqiceveegdkpdvdkaveaaqvafqrgs
pwrrldalsrgrllhqladlverdratlaaletmdtgkpflhaffidlegcirtlryfag
wadkiqgktiptddnvvcftrhepigvcgaitpwnfpllmlvwklapalccgntmvlkpa
eqtpltalylgslikeagfppgvvnivpgfgptvgaaisshpqinkiaftgstevgklvk
eaasrsnlkrvtlelggknpcivcadadldlavecahqgvffnqgqcctaasrvfveeqv
ysefvrrsveyakkrpvgdpfdvkteqgpqidqkqfdkileliesgkkegaklecggsam
glfikptvfsevtdnmriakeeifgpvqpilkfksieevikranstdygltaavftknld
kalklasalesgtvwincynalyaqapfggfkmsgngrelgeyalaeytevktvtikl

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6tgwB (B:)
matangavengqpdrkppalprpirnlevkftkifinnewhesksgkkfatcnpstreqi
ceveegdkpdvdkaveaaqvafqrgspwrrldalsrgrllhqladlverdratlaaletm
dtgkpflhaffidlegcirtlryfagwadkiqgktiptddnvvcftrhepigvcgaitpw
nfpllmlvwklapalccgntmvlkpaeqtpltalylgslikeagfppgvvnivpgfgptv
gaaisshpqinkiaftgstevgklvkeaasrsnlkrvtlelggknpcivcadadldlave
cahqgvffnqgqcctaasrvfveeqvysefvrrsveyakkrpvgdpfdvkteqgpqidqk
qfdkileliesgkkegaklecggsamedkglfikptvfsevtdnmriakeeifgpvqpil
kfksieevikranstdygltaavftknldkalklasalesgtvwincynalyaqapfggf
kmsgngrelgeyalaeytevktvtiklgdknp

    Sequence, based on observed residues (ATOM records): (download) 
    >6tgwB (B:)
levkftkifinnewhesksgkkfatcnpstreqiceveegdkpdvdkaveaaqvafqrgs
pwrrldalsrgrllhqladlverdratlaaletmdtgkpflhaffidlegcirtlryfag
wadkiqgktiptddnvvcftrhepigvcgaitpwnfpllmlvwklapalccgntmvlkpa
eqtpltalylgslikeagfppgvvnivpgfgptvgaaisshpqinkiaftgstevgklvk
eaasrsnlkrvtlelggknpcivcadadldlavecahqgvffnqgqcctaasrvfveeqv
ysefvrrsveyakkrpvgdpfdvkteqgpqidqkqfdkileliesgkkegaklecggsam
glfikptvfsevtdnmriakeeifgpvqpilkfksieevikranstdygltaavftknld
kalklasalesgtvwincynalyaqapfggfkmsgngrelgeyalaeytevktvtikl

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >6tgwC (C:)
matangavengqpdrkppalprpirnlevkftkifinnewhesksgkkfatcnpstreqi
ceveegdkpdvdkaveaaqvafqrgspwrrldalsrgrllhqladlverdratlaaletm
dtgkpflhaffidlegcirtlryfagwadkiqgktiptddnvvcftrhepigvcgaitpw
nfpllmlvwklapalccgntmvlkpaeqtpltalylgslikeagfppgvvnivpgfgptv
gaaisshpqinkiaftgstevgklvkeaasrsnlkrvtlelggknpcivcadadldlave
cahqgvffnqgqcctaasrvfveeqvysefvrrsveyakkrpvgdpfdvkteqgpqidqk
qfdkileliesgkkegaklecggsamedkglfikptvfsevtdnmriakeeifgpvqpil
kfksieevikranstdygltaavftknldkalklasalesgtvwincynalyaqapfggf
kmsgngrelgeyalaeytevktvtiklgdknp

    Sequence, based on observed residues (ATOM records): (download) 
    >6tgwC (C:)
vkftkifinnewhesksgkkfatcnpstreqiceveegdkpdvdkaveaaqvafqrgspw
rrldalsrgrllhqladlverdratlaaletmdtgkpflhaffidlegcirtlryfagwa
dkiqgktiptddnvvcftrhepigvcgaitpwnfpllmlvwklapalccgntmvlkpaeq
tpltalylgslikeagfppgvvnivpgfgptvgaaisshpqinkiaftgstevgklvkea
asrsnlkrvtlelggknpcivcadadldlavecahqgvffnqgqcctaasrvfveeqvys
efvrrsveyakkrpvgdpfdvkteqgpqidqkqfdkileliesgkkegaklecggsamed
kglfikptvfsevtdnmriakeeifgpvqpilkfksieevikranstdygltaavftknl
dkalklasalesgtvwincynalyaqapfggfkmsgngrelgeyalaeytevktvtikl

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >6tgwD (D:)
matangavengqpdrkppalprpirnlevkftkifinnewhesksgkkfatcnpstreqi
ceveegdkpdvdkaveaaqvafqrgspwrrldalsrgrllhqladlverdratlaaletm
dtgkpflhaffidlegcirtlryfagwadkiqgktiptddnvvcftrhepigvcgaitpw
nfpllmlvwklapalccgntmvlkpaeqtpltalylgslikeagfppgvvnivpgfgptv
gaaisshpqinkiaftgstevgklvkeaasrsnlkrvtlelggknpcivcadadldlave
cahqgvffnqgqcctaasrvfveeqvysefvrrsveyakkrpvgdpfdvkteqgpqidqk
qfdkileliesgkkegaklecggsamedkglfikptvfsevtdnmriakeeifgpvqpil
kfksieevikranstdygltaavftknldkalklasalesgtvwincynalyaqapfggf
kmsgngrelgeyalaeytevktvtiklgdknp

    Sequence, based on observed residues (ATOM records): (download) 
    >6tgwD (D:)
vkftkifinnewhesksgkkfatcnpstreqiceveegdkpdvdkaveaaqvafqrgspw
rrldalsrgrllhqladlverdratlaaletmdtgkpflhaffidlegcirtlryfagwa
dkiqgktiptddnvvcftrhepigvcgaitpwnfpllmlvwklapalccgntmvlkpaeq
tpltalylgslikeagfppgvvnivpgfgptvgaaisshpqinkiaftgstevgklvkea
asrsnlkrvtlelggknpcivcadadldlavecahqgvffnqgqcctaasrvfveeqvys
efvrrsveyakkrpvgdpfdvkteqgpqidqkqfdkileliesgkkegaklecggsamed
glfikptvfsevtdnmriakeeifgpvqpilkfksieevikranstdygltaavftknld
kalklasalesgtvwincynalyaqapfggfkmsgngrelgeyalaeytevktvtikl