2024-08-31_00000174
|
ligand
|
8W06
Crystal Structure of the reconstruction of the ancestral triosephosphate isomerase of the last opisthokont common ancestor obtained by maximum likelihood with PGH;
X-ray diffraction 2.06Å
Protein #1
270 residues (93% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMARKFFVGGNWKMNGTIESIKSLVETLNNAELDDNTEVVVAPPAIYLPLVRQSLRKDIQVAAQNCYTKASGAFTGEISAEMLKDLGIPWVILGHSERRQIFGESDEFVAEKTKYALDNGLKVILCIGETLEEREAGKTMDVVTRQLKAIADKISESDWSKVVIAYEPVWAIGTGKVATPEQAQEVHAEIRKWLAENVSAEVAESTRIIYGGSVNGGNCKELAKQPDIDGFLVGGASLKPEFVDIINARQK
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMARKFFVGGNWKMNGTIESIKSLVETLNNAELDDNTEVVVAPPAIYLPLVRQSLRKDIQVAAQNCYTKASGAFTGEISAEMLKDLGIPWVILGHSERRQIFGESDEFVAEKTKYALDNGLKVILCIGETLEEREAGKTMDVVTRQLKAIADKISESDWSKVVIAYEPVWAIGTGKVATPEQAQEVHAEIRKWLAENVSAEVAESTRIIYGGSVNGGNCKELAKQPDIDGFLVGGASLKPEFVDIINARQK
Non polymer #2
ACT
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES: CC(=O)[O-]
CC(=O)[O-]
Non polymer #3
ACY
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
SMILES: CC(=O)O
CC(=O)O
Non polymer #4
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #5
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #6
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
Non polymer #7
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Non polymer #8
PGE
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
SMILES: C(COCCOCCO)O
C(COCCOCCO)O
Non polymer #9
PGH
InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
SMILES: C(C(=O)NO)OP(=O)(O)O
C(C(=O)NO)OP(=O)(O)O
Biounit #1
homo-dimer
Download coordinates
Biounit #2
homo-dimer
Download coordinates
Biounit #3
homo-dimer
Download coordinates
Biounit #4
homo-dimer
Download coordinates
Tube
Model
Reference
100%