2024-07-06_00000152
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ligand
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8PNH
Chorismate mutase;
X-ray diffraction 1.90Å
Protein #1
425 residues (91% resolved)
Raw Sequence ...
MQRFIRHSMRQIAVLGLLAGMMASVQAGADHRLDDITARGVLRVGTTGDYKPFSSRAGNDFVGLDIELAADLARTLGVPVQIVPTSWPTLMKDFGDGKFDIALGGVSITPERQKQGLFSVSYLRDGKTPITRCENSARFQTLAQIDQPGVRLVVNPGGTNERFARSQAPNAQLTVYPDNVTIFDQIVTGAADLMITDAIETRLQQRLRPQLCAVHPDTPFDFAEKAILLPRDVAFKAVVDKWLQQRIASGAVQRSVDRWLDFPWGLEPLRLAIDQRLLLAQAVARAKWNVQAPIEDLGREAQVIQAAVKEGAALGLPKVWIETVFRAQIEASKTVQRELFAQWSAQQAGKFDDAPDLAKTIRPELDRLTTQLLRSMASNQTVLNDEARKADVARAMRALEARALSPQAATQALAPFFLEHHHHHH
Canonical Sequence ...
MQRFIRHSMRQIAVLGLLAGMMASVQAGADHRLDDITARGVLRVGTTGDYKPFSSRAGNDFVGLDIELAADLARTLGVPVQIVPTSWPTLMKDFGDGKFDIALGGVSITPERQKQGLFSVSYLRDGKTPITRCENSARFQTLAQIDQPGVRLVVNPGGTNERFARSQAPNAQLTVYPDNVTIFDQIVTGAADLMITDAIETRLQQRLRPQLCAVHPDTPFDFAEKAILLPRDVAFKAVVDKWLQQRIASGAVQRSVDRWLDFPWGLEPLRLAIDQRLLLAQAVARAKWNVQAPIEDLGREAQVIQAAVKEGAALGLPKVWIETVFRAQIEASKTVQRELFAQWSAQQAGKFDDAPDLAKTIRPELDRLTTQLLRSMASNQTVLNDEARKADVARAMRALEARALSPQAATQALAPFFLEHHHHHH
Non polymer #2
PPY
InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
SMILES: c1ccc(cc1)CC(=O)C(=O)O
c1ccc(cc1)CC(=O)C(=O)O
Non polymer #3
TSA
InChI=1S/C10H12O6/c11-5-1-2-10(9(14)15)3-6(5)16-7(4-10)8(12)13/h1-2,5-7,11H,3-4H2,(H,12,13)(H,14,15)/t5-,6-,7+,10+/m1/s1
InChI=1S/C10H12O6/c11-5-1-2-10(9(14)15)3-6(5)16-7(4-10)8(12)13/h1-2,5-7,11H,3-4H2,(H,12,13)(H,14,15)/t5-,6-,7+,10+/m1/s1
SMILES: C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O
C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O
Biounit #1
monomer
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Model
Reference
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