2024-08-31_00000261
|
ligand
|
8ZYG
Crystal structure of a cupin protein (tm1459, I49C-4py/H52A/C106D mutant) in copper (Cu) substituted form;
X-ray diffraction 1.08Å
Protein #1
118 residues (100% resolved)
Raw Sequence ...
GPSGMILKRAYDVTPQKISTDKVRGVRKRVLIGLKDAPNFVMRLFTVEPGGL(CSS)DRASHPWEHEIFVLKGKLTVLKEQGEETVEEGFYIFVEPNEIHGFRNDTDSEVEFLDLIPKEGGE
Canonical Sequence ...
GPSGMILKRAYDVTPQKISTDKVRGVRKRVLIGLKDAPNFVMRLFTVEPGGLCDRASHPWEHEIFVLKGKLTVLKEQGEETVEEGFYIFVEPNEIHGFRNDTDSEVEFLDLIPKEGGE
Non polymer #2
CU
InChI=1S/Cu/q+2
InChI=1S/Cu/q+2
SMILES: [Cu+2]
[Cu+2]
Non polymer #3
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-]
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
Biounit #1
homo-dimer
Download coordinates
Tube
Model
Reference
100%