2025-11-29_00000033
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ligand
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9HHJ
ManDH5 E303Q in complex with mannotetraose after co-crystalliztion with mannotetraose at 1.6 angstroms resolution a beta-D-Mannanase of GH5 family from Dictyoglomus thermophilium;
X-ray diffraction 1.83Å
Protein #1
568 residues (99% resolved)
Raw Sequence ...
ESRYKDNRPLNILGIDISKMELGRYNLFEVSIFLQGSYLNPFDPQEIDVEGIFEDQYGNQYRVPGFFYQEYKRELKNDYEYLVPVGDPYFKIRFSPINIGSYKFFIKVKDKTGREVSSDKYTIYVKESEKPGYIRVSEKNWRYFKFDNGRQFLPIGANICWATSKGTYDYDVWLPKCAENGGNYFRVWLGPSWATFALERESVKEYDLKNAWKLDYVLNLAEKLNMYIMFCFDSYNELRYQKEGAYPYWEHTPHYEKNGGPLKEPKDFWTNNEMIKYYKNKLRYIVARYGYSTNVFAWEFWNQVDIISPTAFVIGEVKKWHEDMAKYLNSIDPWKHLITTSFAFSPGKPEIDSISGLNFVQTHIYKSNRYIDALLSLIAYKEKYRKPHLVGEFGLDAGGNDLWVDPNGYVIHNAIWTTILSGASGTAMSWWWDNHIHPNNLYFHYRALADFVKDINFLEEKFERLTNYKFNVYNREIKVIGLQGKKYILLWLYNAKEAYQYKKDIPNMDSSKFLGSIELLIKPPIKVIYYDTYRGEKIKELDLDKNVIPIIEFERDLAIKIELLGEGE
Canonical Sequence ...
ESRYKDNRPLNILGIDISKMELGRYNLFEVSIFLQGSYLNPFDPQEIDVEGIFEDQYGNQYRVPGFFYQEYKRELKNDYEYLVPVGDPYFKIRFSPINIGSYKFFIKVKDKTGREVSSDKYTIYVKESEKPGYIRVSEKNWRYFKFDNGRQFLPIGANICWATSKGTYDYDVWLPKCAENGGNYFRVWLGPSWATFALERESVKEYDLKNAWKLDYVLNLAEKLNMYIMFCFDSYNELRYQKEGAYPYWEHTPHYEKNGGPLKEPKDFWTNNEMIKYYKNKLRYIVARYGYSTNVFAWEFWNQVDIISPTAFVIGEVKKWHEDMAKYLNSIDPWKHLITTSFAFSPGKPEIDSISGLNFVQTHIYKSNRYIDALLSLIAYKEKYRKPHLVGEFGLDAGGNDLWVDPNGYVIHNAIWTTILSGASGTAMSWWWDNHIHPNNLYFHYRALADFVKDINFLEEKFERLTNYKFNVYNREIKVIGLQGKKYILLWLYNAKEAYQYKKDIPNMDSSKFLGSIELLIKPPIKVIYYDTYRGEKIKELDLDKNVIPIIEFERDLAIKIELLGEGE
Non polymer #2
BMA
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)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
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 #5
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
Biounit #1
hetero-1-1-mer
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Model
Reference
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