2025-08-09_00000250
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ligand
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9DVH
A1 Tei + D-Hpg: Adenylation Domain 1 Core Construct from Teicoplanin Biosynthesis with D-4-Hydroxyphenylglycine;
X-ray diffraction 1.66Å
Protein #1
399 residues (97% resolved)
Raw Sequence ...
MSTVPELLARQVTRAPDAVAVVDRDRVLTYRELDELAGRLSGRLIGRGVRRGDRVAVLLDRSADLVVTLLAIWKAGAAYVPVDAGYPAPRVAFMVADSGASRMVCSAATRDGVPEGIEAIVVTDEEAFEASAAGARPGDLAYVMYTSGSTGIPKGVAVPHRSVAELAGNPGWAVEPGDAVLMHAPYAFDASLFEIWVPLVSGGRVVIAEPGPVDARRLREAISSGVTRAHLTAGSFRAVAEESPESFAGLREVLTGGDVVPAHAVARVRSACPRVRIRHLYGPTETTLCATWHLLEPGDEIGPVLPIGRPLPGRRAQVLDASLRAVAPGVIGDLYLSGAGLADGYLRRAGLTAERFVADPSAPGARMYRTGDLAQWTADGALLFAGRADDQGSHHHHHH
Canonical Sequence ...
MSTVPELLARQVTRAPDAVAVVDRDRVLTYRELDELAGRLSGRLIGRGVRRGDRVAVLLDRSADLVVTLLAIWKAGAAYVPVDAGYPAPRVAFMVADSGASRMVCSAATRDGVPEGIEAIVVTDEEAFEASAAGARPGDLAYVMYTSGSTGIPKGVAVPHRSVAELAGNPGWAVEPGDAVLMHAPYAFDASLFEIWVPLVSGGRVVIAEPGPVDARRLREAISSGVTRAHLTAGSFRAVAEESPESFAGLREVLTGGDVVPAHAVARVRSACPRVRIRHLYGPTETTLCATWHLLEPGDEIGPVLPIGRPLPGRRAQVLDASLRAVAPGVIGDLYLSGAGLADGYLRRAGLTAERFVADPSAPGARMYRTGDLAQWTADGALLFAGRADDQGSHHHHHH
Protein #2
69 residues (99% resolved)
Raw Sequence ...
MTNPFDNEDGSFLVLVNGEGQHSLWPAFAEVPDGWTGVHGPASRQDCLGYVEQNWTDLRPKSLISQISD
Canonical Sequence ...
MTNPFDNEDGSFLVLVNGEGQHSLWPAFAEVPDGWTGVHGPASRQDCLGYVEQNWTDLRPKSLISQISD
Non polymer #3
BO3
InChI=1S/BH3O3/c2-1(3)4/h2-4H
InChI=1S/BH3O3/c2-1(3)4/h2-4H
SMILES: B(O)(O)O
B(O)(O)O
Non polymer #4
GHP
InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1
InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1
SMILES: c1cc(ccc1[C@H](C(=O)O)N)O
c1cc(ccc1[C@H](C(=O)O)N)O
Non polymer #5
MES
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
SMILES: C1COCC[NH+]1CCS(=O)(=O)[O-]
C1COCC[NH+]1CCS(=O)(=O)[O-]
Biounit #1
hetero-1-1-mer
Download coordinates
Biounit #2
hetero-1-1-mer
Download coordinates
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Model
Reference
100%