2025-09-13_00000071
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ligand
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9GPA
ManDH5- a beta-D-Mannanase of GH5 family from Dictyoglomus thermophilium;
X-ray diffraction 1.50Å
Protein #1
568 residues (99% resolved)
Raw Sequence ...
ESRYKDNRPLNILGIDISKMELGRYNLFEVSIFLQGSYLNPFDPQEIDVEGIFEDQYGNQYRVPGFFYQEYKRELKNDYEYLVPVGDPYFKIRFSPINIGSYKFFIKVKDKTGREVSSDKYTIYVKESEKPGYIRVSEKNWRYFKFDNGRQFLPIGANICWATSKGTYDYDVWLPKCAENGGNYFRVWLGPSWATFALERESVKEYDLKNAWKLDYVLNLAEKLNMYIMFCFDSYNELRYQKEGAYPYWEHTPHYEKNGGPLKEPKDFWTNNEMIKYYKNKLRYIVARYGYSTNVFAWEFWNEVDIISPTAFVIGEVKKWHEDMAKYLNSIDPWKHLITTSFAFSPGKPEIDSISGLNFVQTHIYKSNRYIDALLSLIAYKEKYRKPHLVGEFGLDAGGNDLWVDPNGYVIHNAIWTTILSGASGTAMSWWWDNHIHPNNLYFHYRALADFVKDINFLEEKFERLTNYKFNVYNREIKVIGLQGKKYILLWLYNAKEAYQYKKDIPNMDSSKFLGSIELLIKPPIKVIYYDTYRGEKIKELDLDKNVIPIIEFERDLAIKIELLGEGE
Canonical Sequence ...
ESRYKDNRPLNILGIDISKMELGRYNLFEVSIFLQGSYLNPFDPQEIDVEGIFEDQYGNQYRVPGFFYQEYKRELKNDYEYLVPVGDPYFKIRFSPINIGSYKFFIKVKDKTGREVSSDKYTIYVKESEKPGYIRVSEKNWRYFKFDNGRQFLPIGANICWATSKGTYDYDVWLPKCAENGGNYFRVWLGPSWATFALERESVKEYDLKNAWKLDYVLNLAEKLNMYIMFCFDSYNELRYQKEGAYPYWEHTPHYEKNGGPLKEPKDFWTNNEMIKYYKNKLRYIVARYGYSTNVFAWEFWNEVDIISPTAFVIGEVKKWHEDMAKYLNSIDPWKHLITTSFAFSPGKPEIDSISGLNFVQTHIYKSNRYIDALLSLIAYKEKYRKPHLVGEFGLDAGGNDLWVDPNGYVIHNAIWTTILSGASGTAMSWWWDNHIHPNNLYFHYRALADFVKDINFLEEKFERLTNYKFNVYNREIKVIGLQGKKYILLWLYNAKEAYQYKKDIPNMDSSKFLGSIELLIKPPIKVIYYDTYRGEKIKELDLDKNVIPIIEFERDLAIKIELLGEGE
Non polymer #2
1PE
InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2
InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2
SMILES: C(COCCOCCOCCOCCO)O
C(COCCOCCOCCOCCO)O
Non polymer #3
MLT
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1
SMILES: C([C@H](C(=O)O)O)C(=O)O
C([C@H](C(=O)O)O)C(=O)O
Non polymer #4
P6G
InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2
InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2
SMILES: C(COCCOCCOCCOCCOCCO)O
C(COCCOCCOCCOCCOCCO)O
Non polymer #5
PG4
InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
SMILES: C(COCCOCCOCCO)O
C(COCCOCCOCCO)O
Non polymer #6
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 #7
TRS
InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1
InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1
SMILES: C(C(CO)(CO)[NH3+])O
C(C(CO)(CO)[NH3+])O
Biounit #1
monomer
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Model
Reference
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