2024-04-27_00000083
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ligand
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8OSZ
Structural and functional studies of geldanamycin amide synthase ShGdmF;
X-ray diffraction 1.26Å
Protein #1
263 residues (94% resolved)
Raw Sequence ...
HHHHHHMFDVAKYLRRIGVEGTPPPTLDTLRHLHKRHLMAVPYDNSTAPDRLPASRHLTNVPLDLVFGHVVTEGHGGV(CSO)YELNRLFHTLLAELGYDVRMVAAAVRQANGTFGPEREHTFDLVHLDGRTHLVDVGFPGPSYSEPLYLSEEEQHQYG(CSO)SYRVTEHDGYRVVERRPKGSDWQPVYRFRPELADPSGWDAVRLDSLDDYAQDSVLAGTTFRSRATDNGKIVLIGRRYFTVEDGVERTKVLVKADEFQDVVDLILAGA
Canonical Sequence ...
HHHHHHMFDVAKYLRRIGVEGTPPPTLDTLRHLHKRHLMAVPYDNSTAPDRLPASRHLTNVPLDLVFGHVVTEGHGGVCYELNRLFHTLLAELGYDVRMVAAAVRQANGTFGPEREHTFDLVHLDGRTHLVDVGFPGPSYSEPLYLSEEEQHQYGCSYRVTEHDGYRVVERRPKGSDWQPVYRFRPELADPSGWDAVRLDSLDDYAQDSVLAGTTFRSRATDNGKIVLIGRRYFTVEDGVERTKVLVKADEFQDVVDLILAGA
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
K5V
InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2
InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2
SMILES: c1cc(cc(c1)O)N
c1cc(cc(c1)O)N
Non polymer #4
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
Biounit #1
monomer
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Model
Reference
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